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srDFT_G2/G09/Mixed_core/Molecules/v5z/SiH3.out
eginer c360944527 added Big_data/Mixed_core/v5z
2019-04-05 15:55:13 +02:00

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Entering Gaussian System, Link 0=g09
Input=SiH3.inp
Output=SiH3.out
Initial command:
/share/apps/gaussian/g09d01/nehalem/g09/l1.exe "/mnt/beegfs/tmpdir/42440/Gau-155126.inp" -scrdir="/mnt/beegfs/tmpdir/42440/"
Entering Link 1 = /share/apps/gaussian/g09d01/nehalem/g09/l1.exe PID= 155127.
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
5-Apr-2019
******************************************
%nproc=24
Will use up to 24 processors via shared memory.
%mem=100GB
-------------------------------------
#p ROCCSD(T) cc-pV5Z pop=full gfprint
-------------------------------------
1/38=1/1;
2/12=2,17=6,18=5,40=1/2;
3/5=16,6=3,11=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 Fri Apr 5 08:55:39 2019, MaxMem= 13421772800 cpu: 1.4
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l101.exe)
--
G2
--
Symbolic Z-matrix:
Charge = 0 Multiplicity = 2
Si
X 1 1.
H 1 R 2 BETA
H 1 R 2 BETA 3 120. 0
H 1 R 2 BETA 3 -120. 0
Variables:
R 1.48481
BETA 107.8909
NAtoms= 4 NQM= 4 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
IAtWgt= 28 1 1 1
AtmWgt= 27.9769284 1.0078250 1.0078250 1.0078250
NucSpn= 0 1 1 1
AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000
NQMom= 0.0000000 0.0000000 0.0000000 0.0000000
NMagM= 0.0000000 2.7928460 2.7928460 2.7928460
AtZNuc= 14.0000000 1.0000000 1.0000000 1.0000000
Leave Link 101 at Fri Apr 5 08:55:39 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 1 0 1.413007 0.000000 -0.456141
3 1 0 -0.706504 -1.223700 -0.456141
4 1 0 -0.706504 1.223700 -0.456141
---------------------------------------------------------------------
Distance matrix (angstroms):
1 2 3 4
1 Si 0.000000
2 H 1.484808 0.000000
3 H 1.484808 2.447400 0.000000
4 H 1.484808 2.447400 2.447400 0.000000
Stoichiometry H3Si(2)
Framework group C3V[C3(Si),3SGV(H)]
Deg. of freedom 2
Full point group C3V NOp 6
Largest Abelian subgroup CS NOp 2
Largest concise Abelian subgroup CS NOp 2
Standard orientation:
---------------------------------------------------------------------
Center Atomic Atomic Coordinates (Angstroms)
Number Number Type X Y Z
---------------------------------------------------------------------
1 14 0 0.000000 0.000000 0.080495
2 1 0 0.000000 1.413007 -0.375646
3 1 0 1.223700 -0.706504 -0.375646
4 1 0 -1.223700 -0.706504 -0.375646
---------------------------------------------------------------------
Rotational constants (GHZ): 140.9294079 140.9294079 83.7186163
Leave Link 202 at Fri Apr 5 08:55:39 2019, MaxMem= 13421772800 cpu: 0.9
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l301.exe)
Standard basis: CC-pV5Z (5D, 7F)
Ernie: Thresh= 0.10000D-02 Tol= 0.10000D-05 Strict=F.
Ernie: 19 primitive shells out of 136 were deleted.
AO basis set (Overlap normalization):
Atom Si1 Shell 1 S 14 bf 1 - 1 0.000000000000 0.000000000000 0.152114449914
0.3948000000D+07 0.2040872859D-05
0.5911000000D+06 0.1584637525D-04
0.1345000000D+06 0.8339394765D-04
0.3812000000D+05 0.3515013326D-03
0.1246000000D+05 0.1277118250D-02
0.4504000000D+04 0.4153566115D-02
0.1758000000D+04 0.1230792967D-01
0.7291000000D+03 0.3332294250D-01
0.3180000000D+03 0.8101436913D-01
0.1446000000D+03 0.1703423148D+00
0.6797000000D+02 0.2869414681D+00
0.3282000000D+02 0.3303191586D+00
0.1603000000D+02 0.1965394819D+00
0.7396000000D+01 0.3563452438D-01
Atom Si1 Shell 2 S 10 bf 2 - 2 0.000000000000 0.000000000000 0.152114449914
0.4504000000D+04 -0.2193876996D-04
0.1758000000D+04 -0.8423552025D-04
0.7291000000D+03 -0.7916612886D-03
0.3180000000D+03 -0.3682405620D-02
0.1446000000D+03 -0.1899642691D-01
0.6797000000D+02 -0.6626604845D-01
0.3282000000D+02 -0.1857004063D+00
0.1603000000D+02 -0.1971042190D+00
0.7396000000D+01 0.2581674569D+00
0.3661000000D+01 0.9637657221D+00
Atom Si1 Shell 3 S 8 bf 3 - 3 0.000000000000 0.000000000000 0.152114449914
0.7291000000D+03 -0.7131932657D-04
0.1446000000D+03 -0.6950957134D-03
0.6797000000D+02 0.6715840347D-04
0.3282000000D+02 -0.1754008400D-02
0.1603000000D+02 0.9953305242D-02
0.7396000000D+01 -0.2360406110D-01
0.3661000000D+01 -0.1343687048D+00
0.1823000000D+01 -0.8623637931D+00
Atom Si1 Shell 4 S 1 bf 4 - 4 0.000000000000 0.000000000000 0.152114449914
0.9147000000D+00 0.1000000000D+01
Atom Si1 Shell 5 S 1 bf 5 - 5 0.000000000000 0.000000000000 0.152114449914
0.3393000000D+00 0.1000000000D+01
Atom Si1 Shell 6 S 1 bf 6 - 6 0.000000000000 0.000000000000 0.152114449914
0.1500000000D+00 0.1000000000D+01
Atom Si1 Shell 7 S 1 bf 7 - 7 0.000000000000 0.000000000000 0.152114449914
0.6438000000D-01 0.1000000000D+01
Atom Si1 Shell 8 P 7 bf 8 - 10 0.000000000000 0.000000000000 0.152114449914
0.1780000000D+04 0.3945930348D-03
0.4218000000D+03 0.3240665813D-02
0.1367000000D+03 0.1827795416D-01
0.5181000000D+02 0.6545787944D-01
0.2160000000D+02 0.1932008769D+00
0.9563000000D+01 0.3359431150D+00
0.4350000000D+01 0.5310000684D+00
Atom Si1 Shell 9 P 6 bf 11 - 13 0.000000000000 0.000000000000 0.152114449914
0.1367000000D+03 0.9090151537D-03
0.5181000000D+02 -0.4472310346D-02
0.2160000000D+02 -0.1526112998D-01
0.9563000000D+01 -0.1334763639D+00
0.4350000000D+01 -0.1581566018D+00
0.2006000000D+01 -0.7756890351D+00
Atom Si1 Shell 10 P 1 bf 14 - 16 0.000000000000 0.000000000000 0.152114449914
0.9205000000D+00 0.1000000000D+01
Atom Si1 Shell 11 P 1 bf 17 - 19 0.000000000000 0.000000000000 0.152114449914
0.3500000000D+00 0.1000000000D+01
Atom Si1 Shell 12 P 1 bf 20 - 22 0.000000000000 0.000000000000 0.152114449914
0.1381000000D+00 0.1000000000D+01
Atom Si1 Shell 13 P 1 bf 23 - 25 0.000000000000 0.000000000000 0.152114449914
0.5338000000D-01 0.1000000000D+01
Atom Si1 Shell 14 D 1 bf 26 - 30 0.000000000000 0.000000000000 0.152114449914
0.1260000000D+00 0.1000000000D+01
Atom Si1 Shell 15 D 1 bf 31 - 35 0.000000000000 0.000000000000 0.152114449914
0.3210000000D+00 0.1000000000D+01
Atom Si1 Shell 16 D 1 bf 36 - 40 0.000000000000 0.000000000000 0.152114449914
0.8170000000D+00 0.1000000000D+01
Atom Si1 Shell 17 D 1 bf 41 - 45 0.000000000000 0.000000000000 0.152114449914
0.2082000000D+01 0.1000000000D+01
Atom Si1 Shell 18 F 1 bf 46 - 52 0.000000000000 0.000000000000 0.152114449914
0.1690000000D+00 0.1000000000D+01
Atom Si1 Shell 19 F 1 bf 53 - 59 0.000000000000 0.000000000000 0.152114449914
0.3410000000D+00 0.1000000000D+01
Atom Si1 Shell 20 F 1 bf 60 - 66 0.000000000000 0.000000000000 0.152114449914
0.6880000000D+00 0.1000000000D+01
Atom Si1 Shell 21 G 1 bf 67 - 75 0.000000000000 0.000000000000 0.152114449914
0.3200000000D+00 0.1000000000D+01
Atom Si1 Shell 22 G 1 bf 76 - 84 0.000000000000 0.000000000000 0.152114449914
0.7050000000D+00 0.1000000000D+01
Atom Si1 Shell 23 H 1 bf 85 - 95 0.000000000000 0.000000000000 0.152114449914
0.5830000000D+00 0.1000000000D+01
Atom H2 Shell 24 S 4 bf 96 - 96 0.000000000000 2.670196653469 -0.709867432932
0.4020000000D+03 0.5088104278D-02
0.6024000000D+02 0.3948295972D-01
0.1373000000D+02 0.2042718854D+00
0.3905000000D+01 0.8184370745D+00
Atom H2 Shell 25 S 1 bf 97 - 97 0.000000000000 2.670196653469 -0.709867432932
0.1283000000D+01 0.1000000000D+01
Atom H2 Shell 26 S 1 bf 98 - 98 0.000000000000 2.670196653469 -0.709867432932
0.4655000000D+00 0.1000000000D+01
Atom H2 Shell 27 S 1 bf 99 - 99 0.000000000000 2.670196653469 -0.709867432932
0.1811000000D+00 0.1000000000D+01
Atom H2 Shell 28 S 1 bf 100 - 100 0.000000000000 2.670196653469 -0.709867432932
0.7279000000D-01 0.1000000000D+01
Atom H2 Shell 29 P 1 bf 101 - 103 0.000000000000 2.670196653469 -0.709867432932
0.4516000000D+01 0.1000000000D+01
Atom H2 Shell 30 P 1 bf 104 - 106 0.000000000000 2.670196653469 -0.709867432932
0.1712000000D+01 0.1000000000D+01
Atom H2 Shell 31 P 1 bf 107 - 109 0.000000000000 2.670196653469 -0.709867432932
0.6490000000D+00 0.1000000000D+01
Atom H2 Shell 32 P 1 bf 110 - 112 0.000000000000 2.670196653469 -0.709867432932
0.2460000000D+00 0.1000000000D+01
Atom H2 Shell 33 D 1 bf 113 - 117 0.000000000000 2.670196653469 -0.709867432932
0.2950000000D+01 0.1000000000D+01
Atom H2 Shell 34 D 1 bf 118 - 122 0.000000000000 2.670196653469 -0.709867432932
0.1206000000D+01 0.1000000000D+01
Atom H2 Shell 35 D 1 bf 123 - 127 0.000000000000 2.670196653469 -0.709867432932
0.4930000000D+00 0.1000000000D+01
Atom H2 Shell 36 F 1 bf 128 - 134 0.000000000000 2.670196653469 -0.709867432932
0.2506000000D+01 0.1000000000D+01
Atom H2 Shell 37 F 1 bf 135 - 141 0.000000000000 2.670196653469 -0.709867432932
0.8750000000D+00 0.1000000000D+01
Atom H2 Shell 38 G 1 bf 142 - 150 0.000000000000 2.670196653469 -0.709867432932
0.2358000000D+01 0.1000000000D+01
Atom H3 Shell 39 S 4 bf 151 - 151 2.312458135004 -1.335098326734 -0.709867432932
0.4020000000D+03 0.5088104278D-02
0.6024000000D+02 0.3948295972D-01
0.1373000000D+02 0.2042718854D+00
0.3905000000D+01 0.8184370745D+00
Atom H3 Shell 40 S 1 bf 152 - 152 2.312458135004 -1.335098326734 -0.709867432932
0.1283000000D+01 0.1000000000D+01
Atom H3 Shell 41 S 1 bf 153 - 153 2.312458135004 -1.335098326734 -0.709867432932
0.4655000000D+00 0.1000000000D+01
Atom H3 Shell 42 S 1 bf 154 - 154 2.312458135004 -1.335098326734 -0.709867432932
0.1811000000D+00 0.1000000000D+01
Atom H3 Shell 43 S 1 bf 155 - 155 2.312458135004 -1.335098326734 -0.709867432932
0.7279000000D-01 0.1000000000D+01
Atom H3 Shell 44 P 1 bf 156 - 158 2.312458135004 -1.335098326734 -0.709867432932
0.4516000000D+01 0.1000000000D+01
Atom H3 Shell 45 P 1 bf 159 - 161 2.312458135004 -1.335098326734 -0.709867432932
0.1712000000D+01 0.1000000000D+01
Atom H3 Shell 46 P 1 bf 162 - 164 2.312458135004 -1.335098326734 -0.709867432932
0.6490000000D+00 0.1000000000D+01
Atom H3 Shell 47 P 1 bf 165 - 167 2.312458135004 -1.335098326734 -0.709867432932
0.2460000000D+00 0.1000000000D+01
Atom H3 Shell 48 D 1 bf 168 - 172 2.312458135004 -1.335098326734 -0.709867432932
0.2950000000D+01 0.1000000000D+01
Atom H3 Shell 49 D 1 bf 173 - 177 2.312458135004 -1.335098326734 -0.709867432932
0.1206000000D+01 0.1000000000D+01
Atom H3 Shell 50 D 1 bf 178 - 182 2.312458135004 -1.335098326734 -0.709867432932
0.4930000000D+00 0.1000000000D+01
Atom H3 Shell 51 F 1 bf 183 - 189 2.312458135004 -1.335098326734 -0.709867432932
0.2506000000D+01 0.1000000000D+01
Atom H3 Shell 52 F 1 bf 190 - 196 2.312458135004 -1.335098326734 -0.709867432932
0.8750000000D+00 0.1000000000D+01
Atom H3 Shell 53 G 1 bf 197 - 205 2.312458135004 -1.335098326734 -0.709867432932
0.2358000000D+01 0.1000000000D+01
Atom H4 Shell 54 S 4 bf 206 - 206 -2.312458135004 -1.335098326734 -0.709867432932
0.4020000000D+03 0.5088104278D-02
0.6024000000D+02 0.3948295972D-01
0.1373000000D+02 0.2042718854D+00
0.3905000000D+01 0.8184370745D+00
Atom H4 Shell 55 S 1 bf 207 - 207 -2.312458135004 -1.335098326734 -0.709867432932
0.1283000000D+01 0.1000000000D+01
Atom H4 Shell 56 S 1 bf 208 - 208 -2.312458135004 -1.335098326734 -0.709867432932
0.4655000000D+00 0.1000000000D+01
Atom H4 Shell 57 S 1 bf 209 - 209 -2.312458135004 -1.335098326734 -0.709867432932
0.1811000000D+00 0.1000000000D+01
Atom H4 Shell 58 S 1 bf 210 - 210 -2.312458135004 -1.335098326734 -0.709867432932
0.7279000000D-01 0.1000000000D+01
Atom H4 Shell 59 P 1 bf 211 - 213 -2.312458135004 -1.335098326734 -0.709867432932
0.4516000000D+01 0.1000000000D+01
Atom H4 Shell 60 P 1 bf 214 - 216 -2.312458135004 -1.335098326734 -0.709867432932
0.1712000000D+01 0.1000000000D+01
Atom H4 Shell 61 P 1 bf 217 - 219 -2.312458135004 -1.335098326734 -0.709867432932
0.6490000000D+00 0.1000000000D+01
Atom H4 Shell 62 P 1 bf 220 - 222 -2.312458135004 -1.335098326734 -0.709867432932
0.2460000000D+00 0.1000000000D+01
Atom H4 Shell 63 D 1 bf 223 - 227 -2.312458135004 -1.335098326734 -0.709867432932
0.2950000000D+01 0.1000000000D+01
Atom H4 Shell 64 D 1 bf 228 - 232 -2.312458135004 -1.335098326734 -0.709867432932
0.1206000000D+01 0.1000000000D+01
Atom H4 Shell 65 D 1 bf 233 - 237 -2.312458135004 -1.335098326734 -0.709867432932
0.4930000000D+00 0.1000000000D+01
Atom H4 Shell 66 F 1 bf 238 - 244 -2.312458135004 -1.335098326734 -0.709867432932
0.2506000000D+01 0.1000000000D+01
Atom H4 Shell 67 F 1 bf 245 - 251 -2.312458135004 -1.335098326734 -0.709867432932
0.8750000000D+00 0.1000000000D+01
Atom H4 Shell 68 G 1 bf 252 - 260 -2.312458135004 -1.335098326734 -0.709867432932
0.2358000000D+01 0.1000000000D+01
There are 199 symmetry adapted cartesian basis functions of A' symmetry.
There are 141 symmetry adapted cartesian basis functions of A" symmetry.
There are 149 symmetry adapted basis functions of A' symmetry.
There are 111 symmetry adapted basis functions of A" symmetry.
260 basis functions, 411 primitive gaussians, 340 cartesian basis functions
9 alpha electrons 8 beta electrons
nuclear repulsion energy 15.6172260609 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= 4 NActive= 4 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 Fri Apr 5 08:55:39 2019, MaxMem= 13421772800 cpu: 1.0
(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= 260 RedAO= T EigKep= 1.12D-04 NBF= 149 111
NBsUse= 260 1.00D-06 EigRej= -1.00D+00 NBFU= 149 111
Leave Link 302 at Fri Apr 5 08:55:40 2019, MaxMem= 13421772800 cpu: 10.0
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l303.exe)
DipDrv: MaxL=1.
Leave Link 303 at Fri Apr 5 08:55:40 2019, MaxMem= 13421772800 cpu: 1.1
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l401.exe)
ExpMin= 5.34D-02 ExpMax= 3.95D+06 ExpMxC= 1.76D+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= -290.376673589015
JPrj=0 DoOrth=F DoCkMO=F.
Initial guess orbital symmetries:
Occupied (A1) (A1) (E) (E) (A1) (A1) (E) (E) (A1)
Virtual (A1) (E) (E) (A1) (E) (E) (E) (E) (A1) (E) (E)
(A1) (A1) (E) (E) (A2) (E) (E) (A1) (E) (E) (A1)
(A1) (E) (E) (E) (E) (A1) (E) (E) (A1) (A2) (E)
(E) (E) (E) (A1) (A1) (E) (E) (E) (E) (A2) (A1)
(E) (E) (A1) (E) (E) (E) (E) (E) (E) (A1) (A1)
(A2) (E) (E) (A1) (A2) (E) (E) (E) (E) (A1) (E)
(E) (A1) (E) (E) (A2) (A1) (E) (E) (A1) (E) (E)
(E) (E) (A1) (E) (E) (E) (E) (E) (E) (A1) (E)
(E) (A1) (A2) (E) (E) (A2) (A1) (E) (E) (A1) (E)
(E) (A2) (A1) (E) (E) (E) (E) (A2) (A1) (E) (E)
(A1) (E) (E) (A1) (A1) (A2) (E) (E) (E) (E) (E)
(E) (A1) (E) (E) (E) (E) (A1) (E) (E) (A1) (E)
(E) (A2) (E) (E) (E) (E) (A1) (E) (E) (A1) (A2)
(A1) (E) (E) (E) (E) (A2) (E) (E) (A2) (A1) (E)
(E) (E) (E) (E) (E) (A1) (A1) (E) (E) (A1) (E)
(E) (E) (E) (A2) (A1) (E) (E) (A2) (E) (E) (E)
(E) (A1) (E) (E) (A2) (E) (E) (A1) (A2) (A1) (E)
(E) (E) (E) (E) (E) (A2) (A1) (E) (E) (A1) (E)
(E) (A2) (A1) (E) (E) (E) (E) (A1) (E) (E) (A1)
(E) (E) (A1) (E) (E) (A2) (E) (E) (A2) (E) (E)
(E) (E) (A1) (E) (E) (A2) (A1) (E) (E) (A1) (E)
(E) (A2) (A1) (E) (E) (E) (E) (A1) (E) (E) (A1)
(E) (E) (E) (E) (A2) (A1) (E) (E) (A1)
The electronic state of the initial guess is 2-A1.
Leave Link 401 at Fri Apr 5 08:55:41 2019, MaxMem= 13421772800 cpu: 16.0
(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=864476328.
IVT= 376490 IEndB= 376490 NGot= 13421772800 MDV= 12845306399
LenX= 12845306399 LenY= 12845190358
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= 33930 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0
Petite list used in FoFCou.
Cycle 1 Pass 1 IDiag 1:
E= -290.607512223307
DIIS: error= 3.70D-02 at cycle 1 NSaved= 1.
NSaved= 1 IEnMin= 1 EnMin= -290.607512223307 IErMin= 1 ErrMin= 3.70D-02
ErrMax= 3.70D-02 0.00D+00 EMaxC= 1.00D-01 BMatC= 1.26D-01 BMatP= 1.26D-01
IDIUse=3 WtCom= 6.30D-01 WtEn= 3.70D-01
Coeff-Com: 0.100D+01
Coeff-En: 0.100D+01
Coeff: 0.100D+01
Gap= 0.243 Goal= None Shift= 0.000
GapD= 0.243 DampG=1.000 DampE=0.500 DampFc=0.5000 IDamp=-1.
Damping current iteration by 5.00D-01
RMSDP=9.94D-04 MaxDP=1.00D-01 OVMax= 1.21D-01
Cycle 2 Pass 1 IDiag 1:
E= -290.623967249655 Delta-E= -0.016455026348 Rises=F Damp=T
DIIS: error= 1.87D-02 at cycle 2 NSaved= 2.
NSaved= 2 IEnMin= 2 EnMin= -290.623967249655 IErMin= 2 ErrMin= 1.87D-02
ErrMax= 1.87D-02 0.00D+00 EMaxC= 1.00D-01 BMatC= 3.48D-02 BMatP= 1.26D-01
IDIUse=3 WtCom= 8.13D-01 WtEn= 1.87D-01
Coeff-Com: -0.106D+01 0.206D+01
Coeff-En: 0.000D+00 0.100D+01
Coeff: -0.858D+00 0.186D+01
Gap= 0.193 Goal= None Shift= 0.000
RMSDP=8.04D-04 MaxDP=1.03D-01 DE=-1.65D-02 OVMax= 6.47D-02
Cycle 3 Pass 1 IDiag 1:
E= -290.642574975000 Delta-E= -0.018607725344 Rises=F Damp=F
DIIS: error= 3.52D-03 at cycle 3 NSaved= 3.
NSaved= 3 IEnMin= 3 EnMin= -290.642574975000 IErMin= 3 ErrMin= 3.52D-03
ErrMax= 3.52D-03 0.00D+00 EMaxC= 1.00D-01 BMatC= 8.34D-04 BMatP= 3.48D-02
IDIUse=3 WtCom= 9.65D-01 WtEn= 3.52D-02
Coeff-Com: -0.396D+00 0.732D+00 0.665D+00
Coeff-En: 0.000D+00 0.000D+00 0.100D+01
Coeff: -0.382D+00 0.706D+00 0.676D+00
Gap= 0.198 Goal= None Shift= 0.000
RMSDP=6.90D-04 MaxDP=1.10D-01 DE=-1.86D-02 OVMax= 5.32D-02
Cycle 4 Pass 1 IDiag 1:
E= -290.644479394990 Delta-E= -0.001904419990 Rises=F Damp=F
DIIS: error= 1.28D-03 at cycle 4 NSaved= 4.
NSaved= 4 IEnMin= 4 EnMin= -290.644479394990 IErMin= 4 ErrMin= 1.28D-03
ErrMax= 1.28D-03 0.00D+00 EMaxC= 1.00D-01 BMatC= 1.30D-04 BMatP= 8.34D-04
IDIUse=3 WtCom= 9.87D-01 WtEn= 1.28D-02
Coeff-Com: -0.769D-01 0.145D+00-0.210D+00 0.114D+01
Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.100D+01
Coeff: -0.759D-01 0.143D+00-0.207D+00 0.114D+01
Gap= 0.197 Goal= None Shift= 0.000
RMSDP=1.31D-04 MaxDP=1.60D-02 DE=-1.90D-03 OVMax= 2.20D-02
Cycle 5 Pass 1 IDiag 1:
E= -290.644864427980 Delta-E= -0.000385032990 Rises=F Damp=F
DIIS: error= 5.69D-04 at cycle 5 NSaved= 5.
NSaved= 5 IEnMin= 5 EnMin= -290.644864427980 IErMin= 5 ErrMin= 5.69D-04
ErrMax= 5.69D-04 0.00D+00 EMaxC= 1.00D-01 BMatC= 2.12D-05 BMatP= 1.30D-04
IDIUse=3 WtCom= 9.94D-01 WtEn= 5.69D-03
Coeff-Com: -0.227D-02 0.598D-02-0.119D+00-0.153D+00 0.127D+01
Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.100D+01
Coeff: -0.226D-02 0.594D-02-0.119D+00-0.153D+00 0.127D+01
Gap= 0.197 Goal= None Shift= 0.000
RMSDP=7.85D-05 MaxDP=7.80D-03 DE=-3.85D-04 OVMax= 1.25D-02
Cycle 6 Pass 1 IDiag 1:
E= -290.644934213142 Delta-E= -0.000069785161 Rises=F Damp=F
DIIS: error= 7.61D-05 at cycle 6 NSaved= 6.
NSaved= 6 IEnMin= 6 EnMin= -290.644934213142 IErMin= 6 ErrMin= 7.61D-05
ErrMax= 7.61D-05 0.00D+00 EMaxC= 1.00D-01 BMatC= 6.69D-07 BMatP= 2.12D-05
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
Coeff-Com: 0.324D-02-0.600D-02-0.445D-02 0.724D-02-0.148D+00 0.115D+01
Coeff: 0.324D-02-0.600D-02-0.445D-02 0.724D-02-0.148D+00 0.115D+01
Gap= 0.197 Goal= None Shift= 0.000
RMSDP=1.63D-05 MaxDP=2.26D-03 DE=-6.98D-05 OVMax= 1.77D-03
Cycle 7 Pass 1 IDiag 1:
E= -290.644935906308 Delta-E= -0.000001693167 Rises=F Damp=F
DIIS: error= 1.59D-05 at cycle 7 NSaved= 7.
NSaved= 7 IEnMin= 7 EnMin= -290.644935906308 IErMin= 7 ErrMin= 1.59D-05
ErrMax= 1.59D-05 0.00D+00 EMaxC= 1.00D-01 BMatC= 3.72D-08 BMatP= 6.69D-07
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
Coeff-Com: -0.797D-03 0.142D-02 0.282D-02 0.190D-01-0.788D-01 0.162D+00
Coeff-Com: 0.895D+00
Coeff: -0.797D-03 0.142D-02 0.282D-02 0.190D-01-0.788D-01 0.162D+00
Coeff: 0.895D+00
Gap= 0.197 Goal= None Shift= 0.000
RMSDP=5.55D-06 MaxDP=5.78D-04 DE=-1.69D-06 OVMax= 3.54D-04
Cycle 8 Pass 1 IDiag 1:
E= -290.644935960260 Delta-E= -0.000000053951 Rises=F Damp=F
DIIS: error= 2.82D-06 at cycle 8 NSaved= 8.
NSaved= 8 IEnMin= 8 EnMin= -290.644935960260 IErMin= 8 ErrMin= 2.82D-06
ErrMax= 2.82D-06 0.00D+00 EMaxC= 1.00D-01 BMatC= 1.05D-09 BMatP= 3.72D-08
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
Coeff-Com: 0.360D-03-0.652D-03-0.868D-03-0.249D-02 0.850D-02-0.321D-01
Coeff-Com: -0.290D-01 0.106D+01
Coeff: 0.360D-03-0.652D-03-0.868D-03-0.249D-02 0.850D-02-0.321D-01
Coeff: -0.290D-01 0.106D+01
Gap= 0.197 Goal= None Shift= 0.000
RMSDP=5.54D-07 MaxDP=5.52D-05 DE=-5.40D-08 OVMax= 1.06D-04
Cycle 9 Pass 1 IDiag 1:
E= -290.644935962970 Delta-E= -0.000000002710 Rises=F Damp=F
DIIS: error= 1.03D-06 at cycle 9 NSaved= 9.
NSaved= 9 IEnMin= 9 EnMin= -290.644935962970 IErMin= 9 ErrMin= 1.03D-06
ErrMax= 1.03D-06 0.00D+00 EMaxC= 1.00D-01 BMatC= 1.00D-10 BMatP= 1.05D-09
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
Coeff-Com: -0.261D-04 0.409D-04 0.378D-03 0.120D-03 0.500D-03-0.150D-02
Coeff-Com: -0.139D-01-0.108D+00 0.112D+01
Coeff: -0.261D-04 0.409D-04 0.378D-03 0.120D-03 0.500D-03-0.150D-02
Coeff: -0.139D-01-0.108D+00 0.112D+01
Gap= 0.197 Goal= None Shift= 0.000
RMSDP=3.69D-07 MaxDP=4.74D-05 DE=-2.71D-09 OVMax= 3.25D-05
Cycle 10 Pass 1 IDiag 1:
E= -290.644935963253 Delta-E= -0.000000000283 Rises=F Damp=F
DIIS: error= 1.35D-07 at cycle 10 NSaved= 10.
NSaved=10 IEnMin=10 EnMin= -290.644935963253 IErMin=10 ErrMin= 1.35D-07
ErrMax= 1.35D-07 0.00D+00 EMaxC= 1.00D-01 BMatC= 1.61D-12 BMatP= 1.00D-10
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
Coeff-Com: 0.653D-05-0.118D-04-0.169D-04-0.754D-05-0.717D-04 0.162D-02
Coeff-Com: -0.743D-03-0.356D-01 0.148D-01 0.102D+01
Coeff: 0.653D-05-0.118D-04-0.169D-04-0.754D-05-0.717D-04 0.162D-02
Coeff: -0.743D-03-0.356D-01 0.148D-01 0.102D+01
Gap= 0.197 Goal= None Shift= 0.000
RMSDP=5.10D-08 MaxDP=7.18D-06 DE=-2.83D-10 OVMax= 3.92D-06
Cycle 11 Pass 1 IDiag 1:
E= -290.644935963255 Delta-E= -0.000000000003 Rises=F Damp=F
DIIS: error= 1.56D-08 at cycle 11 NSaved= 11.
NSaved=11 IEnMin=11 EnMin= -290.644935963255 IErMin=11 ErrMin= 1.56D-08
ErrMax= 1.56D-08 0.00D+00 EMaxC= 1.00D-01 BMatC= 4.88D-14 BMatP= 1.61D-12
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
Coeff-Com: 0.494D-06-0.778D-06-0.731D-05-0.793D-05 0.744D-06-0.986D-04
Coeff-Com: 0.403D-03 0.502D-02-0.427D-01-0.201D-01 0.106D+01
Coeff: 0.494D-06-0.778D-06-0.731D-05-0.793D-05 0.744D-06-0.986D-04
Coeff: 0.403D-03 0.502D-02-0.427D-01-0.201D-01 0.106D+01
Gap= 0.197 Goal= None Shift= 0.000
RMSDP=6.16D-09 MaxDP=7.25D-07 DE=-2.50D-12 OVMax= 5.74D-07
SCF Done: E(ROHF) = -290.644935963 A.U. after 11 cycles
NFock= 11 Conv=0.62D-08 -V/T= 2.0001
<Sx>= 0.0000 <Sy>= 0.0000 <Sz>= 0.5000 <S**2>= 0.7500 S= 0.5000
<L.S>= 0.000000000000E+00
KE= 2.906238370323D+02 PE=-7.241871827039D+02 EE= 1.273011836475D+02
Annihilation of the first spin contaminant:
S**2 before annihilation 0.7500, after 0.7500
Leave Link 502 at Fri Apr 5 08:56:02 2019, MaxMem= 13421772800 cpu: 519.0
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l801.exe)
Windowed orbitals will be sorted by symmetry type.
GenMOA: NOpAll= 6 NOp2=2 NOpUse= 6 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.
<Sx>= 0.0000 <Sy>= 0.0000 <Sz>= 0.5000 <S**2>= 0.7500 S= 0.5000
ExpMin= 5.34D-02 ExpMax= 3.95D+06 ExpMxC= 1.76D+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 3.16D-04
Largest core mixing into a valence orbital is 8.09D-05
Largest valence mixing into a core orbital is 3.25D-04
Largest core mixing into a valence orbital is 7.87D-05
Range of M.O.s used for correlation: 6 260
NBasis= 260 NAE= 9 NBE= 8 NFC= 5 NFV= 0
NROrb= 255 NOA= 4 NOB= 3 NVA= 251 NVB= 252
**** Warning!!: The largest alpha MO coefficient is 0.39512251D+02
**** Warning!!: The largest beta MO coefficient is 0.38622239D+02
Singles contribution to E2= -0.1001514919D-02
Leave Link 801 at Fri Apr 5 08:56:09 2019, MaxMem= 13421772800 cpu: 160.1
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l804.exe)
Open-shell transformation, MDV= 13421772800 ITran=4 ISComp=2.
Semi-Direct transformation.
ModeAB= 4 MOrb= 4 LenV= 13419611841
LASXX= 16367412 LTotXX= 16367412 LenRXX= 32941792
LTotAB= 16574380 MaxLAS= 41238600 LenRXY= 0
NonZer= 49309204 LenScr= 74448896 LnRSAI= 41238600
LnScr1= 62259200 LExtra= 0 Total= 210888488
MaxDsk= -1 SrtSym= T ITran= 4
DoSDTr: NPSUse= 24
JobTyp=1 Pass 1: I= 1 to 4.
(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= 3 LenV= 13419611841
LASXX= 12296992 LTotXX= 12296992 LenRXX= 24358558
LTotAB= 12061566 MaxLAS= 30928950 LenRXY= 0
NonZer= 36655550 LenScr= 55508992 LnRSAI= 30928950
LnScr1= 46858240 LExtra= 0 Total= 157654740
MaxDsk= -1 SrtSym= T ITran= 4
DoSDTr: NPSUse= 24
JobTyp=2 Pass 1: I= 1 to 3.
(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 = 0.5704297977D-02 E2= -0.1086855685D-01
alpha-beta T2 = 0.4366824683D-01 E2= -0.1133183876D+00
beta-beta T2 = 0.1765853975D-02 E2= -0.3727821540D-02
ANorm= 0.1025696545D+01
E2 = -0.1289162809D+00 EUMP2 = -0.29077385224413D+03
(S**2,0)= 0.75000D+00 (S**2,1)= 0.75000D+00
E(PUHF)= -0.29064493596D+03 E(PMP2)= -0.29077385224D+03
Leave Link 804 at Fri Apr 5 08:56:32 2019, MaxMem= 13421772800 cpu: 546.8
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l913.exe)
CIDS: MDV= 13421772800.
Frozen-core window: NFC= 5 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=864101944.
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= 33930 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= 34
NAB= 12 NAA= 6 NBB= 3.
DD1Dir will call FoFMem 1 times, MxPair= 34
NAB= 12 NAA= 6 NBB= 3.
MP4(R+Q)= 0.21073142D-01
Maximum subspace dimension= 5
Norm of the A-vectors is 2.8837631D-02 conv= 1.00D-05.
RLE energy= -0.1261968030
E3= -0.18314285D-01 EROMP3= -0.29079216653D+03
E4(SDQ)= -0.37599834D-02 ROMP4(SDQ)= -0.29079592651D+03
VARIATIONAL ENERGIES WITH THE FIRST-ORDER WAVEFUNCTION:
DE(Corr)= -0.12613764 E(Corr)= -290.77107361
NORM(A)= 0.10243576D+01
Iteration Nr. 2
**********************
DD1Dir will call FoFMem 1 times, MxPair= 34
NAB= 12 NAA= 6 NBB= 3.
Norm of the A-vectors is 2.0591716D-01 conv= 1.00D-05.
RLE energy= -0.1282916146
DE(Corr)= -0.14404743 E(CORR)= -290.78898339 Delta=-1.79D-02
NORM(A)= 0.10254573D+01
Iteration Nr. 3
**********************
DD1Dir will call FoFMem 1 times, MxPair= 34
NAB= 12 NAA= 6 NBB= 3.
Norm of the A-vectors is 1.8937366D-01 conv= 1.00D-05.
RLE energy= -0.1423842728
DE(Corr)= -0.14468881 E(CORR)= -290.78962477 Delta=-6.41D-04
NORM(A)= 0.10342709D+01
Iteration Nr. 4
**********************
DD1Dir will call FoFMem 1 times, MxPair= 34
NAB= 12 NAA= 6 NBB= 3.
Norm of the A-vectors is 7.9685602D-02 conv= 1.00D-05.
RLE energy= -0.1507537911
DE(Corr)= -0.14896642 E(CORR)= -290.79390239 Delta=-4.28D-03
NORM(A)= 0.10414139D+01
Iteration Nr. 5
**********************
DD1Dir will call FoFMem 1 times, MxPair= 34
NAB= 12 NAA= 6 NBB= 3.
Norm of the A-vectors is 1.2219243D-02 conv= 1.00D-05.
RLE energy= -0.1508158455
DE(Corr)= -0.15173216 E(CORR)= -290.79666812 Delta=-2.77D-03
NORM(A)= 0.10417150D+01
Iteration Nr. 6
**********************
DD1Dir will call FoFMem 1 times, MxPair= 34
NAB= 12 NAA= 6 NBB= 3.
Norm of the A-vectors is 1.1196470D-02 conv= 1.00D-05.
RLE energy= -0.1522241024
DE(Corr)= -0.15177254 E(CORR)= -290.79670850 Delta=-4.04D-05
NORM(A)= 0.10430439D+01
Iteration Nr. 7
**********************
DD1Dir will call FoFMem 1 times, MxPair= 34
NAB= 12 NAA= 6 NBB= 3.
Norm of the A-vectors is 8.5833903D-04 conv= 1.00D-05.
RLE energy= -0.1522039376
DE(Corr)= -0.15221085 E(CORR)= -290.79714682 Delta=-4.38D-04
NORM(A)= 0.10430324D+01
Iteration Nr. 8
**********************
DD1Dir will call FoFMem 1 times, MxPair= 34
NAB= 12 NAA= 6 NBB= 3.
Norm of the A-vectors is 3.3335426D-04 conv= 1.00D-05.
RLE energy= -0.1522072807
DE(Corr)= -0.15220537 E(CORR)= -290.79714134 Delta= 5.48D-06
NORM(A)= 0.10430342D+01
Iteration Nr. 9
**********************
DD1Dir will call FoFMem 1 times, MxPair= 34
NAB= 12 NAA= 6 NBB= 3.
Norm of the A-vectors is 1.1847053D-04 conv= 1.00D-05.
RLE energy= -0.1522064890
DE(Corr)= -0.15220640 E(CORR)= -290.79714237 Delta=-1.03D-06
NORM(A)= 0.10430357D+01
Iteration Nr. 10
**********************
DD1Dir will call FoFMem 1 times, MxPair= 34
NAB= 12 NAA= 6 NBB= 3.
Norm of the A-vectors is 4.3170852D-05 conv= 1.00D-05.
RLE energy= -0.1522069223
DE(Corr)= -0.15220676 E(CORR)= -290.79714273 Delta=-3.60D-07
NORM(A)= 0.10430358D+01
Iteration Nr. 11
**********************
DD1Dir will call FoFMem 1 times, MxPair= 34
NAB= 12 NAA= 6 NBB= 3.
Norm of the A-vectors is 1.1569964D-05 conv= 1.00D-05.
RLE energy= -0.1522068851
DE(Corr)= -0.15220694 E(CORR)= -290.79714290 Delta=-1.75D-07
NORM(A)= 0.10430357D+01
Iteration Nr. 12
**********************
DD1Dir will call FoFMem 1 times, MxPair= 34
NAB= 12 NAA= 6 NBB= 3.
Norm of the A-vectors is 4.0850940D-06 conv= 1.00D-05.
RLE energy= -0.1522068783
DE(Corr)= -0.15220689 E(CORR)= -290.79714286 Delta= 4.51D-08
NORM(A)= 0.10430357D+01
CI/CC converged in 12 iterations to DelEn= 4.51D-08 Conv= 1.00D-07 ErrA1= 4.09D-06 Conv= 1.00D-05
Largest amplitude= 3.05D-02
Time for triples= 136964.92 seconds.
T4(CCSD)= -0.42050631D-02
T5(CCSD)= 0.94455699D-04
CCSD(T)= -0.29080125346D+03
Discarding MO integrals.
Leave Link 913 at Fri Apr 5 10:39:41 2019, MaxMem= 13421772800 cpu: 142528.2
(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 (A1) (A1) (E) (E) (A1) (A1) (E) (E) (A1)
Virtual (A1) (E) (E) (A1) (E) (E) (A1) (E) (E) (E) (E)
(A1) (A1) (E) (E) (A2) (E) (E) (A1) (E) (E) (A1)
(A1) (E) (E) (E) (E) (A2) (A1) (E) (E) (A1) (E)
(E) (E) (E) (A1) (A1) (E) (E) (E) (E) (A1) (A2)
(E) (E) (E) (E) (A1) (E) (E) (E) (E) (A1) (A1)
(A2) (E) (E) (A1) (A2) (E) (E) (E) (E) (A1) (E)
(E) (A2) (A1) (E) (E) (A1) (E) (E) (A1) (E) (E)
(E) (E) (A1) (E) (E) (E) (E) (E) (E) (A1) (E)
(E) (A2) (A1) (E) (E) (A2) (A1) (E) (E) (A1) (E)
(E) (A2) (A1) (E) (E) (E) (E) (A2) (A1) (E) (E)
(A1) (E) (E) (A1) (A2) (A1) (E) (E) (E) (E) (E)
(E) (A1) (E) (E) (E) (E) (A1) (E) (E) (A1) (A2)
(E) (E) (E) (E) (E) (E) (A1) (E) (E) (A2) (A1)
(A1) (E) (E) (E) (E) (A2) (E) (E) (A2) (A1) (E)
(E) (E) (E) (A1) (E) (E) (A1) (E) (E) (A1) (E)
(E) (E) (E) (A2) (A1) (E) (E) (A2) (E) (E) (E)
(E) (A1) (E) (E) (A2) (A1) (E) (E) (A2) (E) (E)
(A1) (E) (E) (A2) (A1) (E) (E) (E) (E) (A2) (E)
(E) (A1) (A1) (E) (E) (E) (E) (A1) (E) (E) (A1)
(E) (E) (E) (E) (A2) (E) (E) (A2) (A1) (E) (E)
(A1) (E) (E) (A2) (E) (E) (A1) (E) (E) (A1) (E)
(E) (A2) (A1) (E) (E) (E) (E) (A1) (E) (E) (A1)
(E) (E) (E) (E) (A2) (A1) (E) (E) (A1)
The electronic state is 2-A1.
Alpha occ. eigenvalues -- -68.78717 -6.13561 -4.24815 -4.23868 -4.23868
Alpha occ. eigenvalues -- -0.72825 -0.49654 -0.49654 -0.33581
Alpha virt. eigenvalues -- 0.10588 0.11193 0.11193 0.15569 0.17293
Alpha virt. eigenvalues -- 0.17293 0.20507 0.26137 0.26137 0.29994
Alpha virt. eigenvalues -- 0.29994 0.32281 0.36949 0.45573 0.45573
Alpha virt. eigenvalues -- 0.55273 0.56693 0.56693 0.58856 0.65030
Alpha virt. eigenvalues -- 0.65030 0.66105 0.71751 0.74513 0.74513
Alpha virt. eigenvalues -- 0.77149 0.77149 0.82505 0.82613 0.83765
Alpha virt. eigenvalues -- 0.83765 0.85242 0.93055 0.93055 0.97652
Alpha virt. eigenvalues -- 0.97652 0.99304 1.01343 1.11853 1.11853
Alpha virt. eigenvalues -- 1.36764 1.36764 1.39915 1.41287 1.44690
Alpha virt. eigenvalues -- 1.44690 1.50357 1.50519 1.50519 1.60199
Alpha virt. eigenvalues -- 1.60199 1.65566 1.65566 1.67081 1.71414
Alpha virt. eigenvalues -- 1.73374 1.76341 1.76341 1.80089 1.86969
Alpha virt. eigenvalues -- 1.95071 1.95071 2.03766 2.03766 2.04481
Alpha virt. eigenvalues -- 2.16076 2.16076 2.17440 2.19713 2.20514
Alpha virt. eigenvalues -- 2.20514 2.26029 2.30135 2.30135 2.32413
Alpha virt. eigenvalues -- 2.41082 2.41082 2.46055 2.46055 2.52396
Alpha virt. eigenvalues -- 2.73286 2.73286 2.91828 2.91828 2.94357
Alpha virt. eigenvalues -- 2.94357 2.95521 3.16852 3.16852 3.21601
Alpha virt. eigenvalues -- 3.24285 3.33166 3.33166 3.35196 3.39117
Alpha virt. eigenvalues -- 3.44914 3.44914 3.48113 3.58425 3.58425
Alpha virt. eigenvalues -- 3.61279 3.66174 3.80517 3.80517 3.85620
Alpha virt. eigenvalues -- 3.85620 3.86029 3.86873 3.93822 3.93822
Alpha virt. eigenvalues -- 3.97590 4.03481 4.03481 4.13278 4.18897
Alpha virt. eigenvalues -- 4.20283 4.22595 4.22595 4.30448 4.30448
Alpha virt. eigenvalues -- 4.35230 4.35230 4.40835 4.49860 4.49860
Alpha virt. eigenvalues -- 4.76705 4.76705 4.84714 4.95262 4.95262
Alpha virt. eigenvalues -- 4.99740 5.04416 5.06010 5.06010 5.08862
Alpha virt. eigenvalues -- 5.08862 5.14784 5.14784 5.19858 5.25483
Alpha virt. eigenvalues -- 5.25483 5.30050 5.30216 5.36972 5.37484
Alpha virt. eigenvalues -- 5.37484 5.46262 5.46262 5.54254 5.75557
Alpha virt. eigenvalues -- 5.75557 5.92490 6.00396 6.05998 6.05998
Alpha virt. eigenvalues -- 6.29999 6.29999 6.44812 6.46101 6.46101
Alpha virt. eigenvalues -- 6.62809 6.84296 6.84296 6.98381 7.06602
Alpha virt. eigenvalues -- 7.06602 7.24038 7.24038 7.30190 8.46859
Alpha virt. eigenvalues -- 8.67716 8.67716 12.61181 12.62619 12.62619
Alpha virt. eigenvalues -- 12.64407 12.64407 12.64906 12.66177 12.66177
Alpha virt. eigenvalues -- 12.66831 12.68620 12.68697 12.68697 12.69208
Alpha virt. eigenvalues -- 12.69489 12.69489 12.70836 12.71751 12.71751
Alpha virt. eigenvalues -- 12.72070 12.73039 12.73351 12.73351 12.76217
Alpha virt. eigenvalues -- 12.76217 12.77568 12.84780 12.84780 12.85377
Alpha virt. eigenvalues -- 12.89807 12.95024 12.95024 12.96322 12.96322
Alpha virt. eigenvalues -- 13.22403 13.27618 13.27618 13.36962 13.46844
Alpha virt. eigenvalues -- 13.46844 13.65489 13.65489 13.70891 13.86585
Alpha virt. eigenvalues -- 13.86585 13.86827 13.86839 13.89838 13.89838
Alpha virt. eigenvalues -- 13.95364 13.97764 13.97764 14.02233 14.03601
Alpha virt. eigenvalues -- 14.03601 14.04289 14.08874 14.08874 14.26506
Alpha virt. eigenvalues -- 14.37017 14.37017 14.47303 14.50763 14.58424
Alpha virt. eigenvalues -- 14.58424 15.32786 15.32786 15.49547 16.05702
Alpha virt. eigenvalues -- 16.05702 17.37631 17.44526 17.44526 17.57616
Alpha virt. eigenvalues -- 17.57616 17.85363 18.35694 18.49610 18.49610
Alpha virt. eigenvalues -- 45.51639
Molecular Orbital Coefficients:
1 2 3 4 5
(A1)--O (A1)--O (E)--O (E)--O (A1)--O
Eigenvalues -- -68.78717 -6.13561 -4.24815 -4.23868 -4.23868
1 1 Si 1S 0.99959 0.26614 0.00000 0.00000 -0.00005
2 2S -0.00075 -0.35331 0.00000 0.00000 -0.00003
3 3S -0.00187 0.54040 0.00000 0.00000 -0.00017
4 4S -0.00045 -0.17880 0.00000 0.00000 -0.00023
5 5S 0.00018 -0.00568 0.00000 0.00000 0.00061
6 6S -0.00001 0.00781 0.00000 0.00000 0.00104
7 7S -0.00001 0.00022 0.00000 0.00000 0.00008
8 8PX 0.00000 0.00000 0.00000 0.53989 0.00000
9 8PY 0.00000 0.00000 0.53989 0.00000 0.00000
10 8PZ 0.00000 0.00013 0.00000 0.00000 0.53943
11 9PX 0.00000 0.00000 0.00000 -0.42398 0.00000
12 9PY 0.00000 0.00000 -0.42398 0.00000 0.00000
13 9PZ 0.00000 0.00012 0.00000 0.00000 -0.42424
14 10PX 0.00000 0.00000 0.00000 0.13268 0.00000
15 10PY 0.00000 0.00000 0.13268 0.00000 0.00000
16 10PZ 0.00001 0.00028 0.00000 0.00000 0.13309
17 11PX 0.00000 0.00000 0.00000 0.00799 0.00000
18 11PY 0.00000 0.00000 0.00799 0.00000 0.00000
19 11PZ -0.00002 -0.00157 0.00000 0.00000 0.00867
20 12PX 0.00000 0.00000 0.00000 -0.00205 0.00000
21 12PY 0.00000 0.00000 -0.00205 0.00000 0.00000
22 12PZ 0.00001 -0.00131 0.00000 0.00000 -0.00083
23 13PX 0.00000 0.00000 0.00000 0.00015 0.00000
24 13PY 0.00000 0.00000 0.00015 0.00000 0.00000
25 13PZ 0.00000 0.00005 0.00000 0.00000 0.00012
26 14D 0 0.00001 -0.00051 0.00000 0.00000 0.00002
27 14D+1 0.00000 0.00000 0.00000 0.00030 0.00000
28 14D-1 0.00000 0.00000 0.00030 0.00000 0.00000
29 14D+2 0.00000 0.00000 0.00045 0.00000 0.00000
30 14D-2 0.00000 0.00000 0.00000 0.00045 0.00000
31 15D 0 -0.00005 -0.00136 0.00000 0.00000 0.00037
32 15D+1 0.00000 0.00000 0.00000 0.00056 0.00000
33 15D-1 0.00000 0.00000 0.00056 0.00000 0.00000
34 15D+2 0.00000 0.00000 0.00063 0.00000 0.00000
35 15D-2 0.00000 0.00000 0.00000 0.00063 0.00000
36 16D 0 0.00001 -0.00021 0.00000 0.00000 -0.00005
37 16D+1 0.00000 0.00000 0.00000 0.00013 0.00000
38 16D-1 0.00000 0.00000 0.00013 0.00000 0.00000
39 16D+2 0.00000 0.00000 0.00006 0.00000 0.00000
40 16D-2 0.00000 0.00000 0.00000 0.00006 0.00000
41 17D 0 0.00000 -0.00027 0.00000 0.00000 -0.00010
42 17D+1 0.00000 0.00000 0.00000 0.00041 0.00000
43 17D-1 0.00000 0.00000 0.00041 0.00000 0.00000
44 17D+2 0.00000 0.00000 0.00045 0.00000 0.00000
45 17D-2 0.00000 0.00000 0.00000 0.00045 0.00000
46 18F 0 -0.00001 0.00023 0.00000 0.00000 0.00011
47 18F+1 0.00000 0.00000 0.00000 0.00010 0.00000
48 18F-1 0.00000 0.00000 0.00010 0.00000 0.00000
49 18F+2 0.00000 0.00000 -0.00014 0.00000 0.00000
50 18F-2 0.00000 0.00000 0.00000 -0.00014 0.00000
51 18F+3 0.00000 0.00000 0.00000 0.00000 0.00000
52 18F-3 0.00001 -0.00039 0.00000 0.00000 -0.00001
53 19F 0 0.00002 0.00018 0.00000 0.00000 -0.00001
54 19F+1 0.00000 0.00000 0.00000 -0.00005 0.00000
55 19F-1 0.00000 0.00000 -0.00005 0.00000 0.00000
56 19F+2 0.00000 0.00000 -0.00014 0.00000 0.00000
57 19F-2 0.00000 0.00000 0.00000 -0.00014 0.00000
58 19F+3 0.00000 0.00000 0.00000 0.00000 0.00000
59 19F-3 -0.00006 -0.00046 0.00000 0.00000 0.00005
60 20F 0 -0.00001 0.00047 0.00000 0.00000 0.00037
61 20F+1 0.00000 0.00000 0.00000 0.00031 0.00000
62 20F-1 0.00000 0.00000 0.00031 0.00000 0.00000
63 20F+2 0.00000 0.00000 0.00001 0.00000 0.00000
64 20F-2 0.00000 0.00000 0.00000 0.00001 0.00000
65 20F+3 0.00000 0.00000 0.00000 0.00000 0.00000
66 20F-3 0.00001 -0.00073 0.00000 0.00000 -0.00007
67 21G 0 0.00001 0.00005 0.00000 0.00000 -0.00002
68 21G+1 0.00000 0.00000 0.00000 0.00001 0.00000
69 21G-1 0.00000 0.00000 0.00001 0.00000 0.00000
70 21G+2 0.00000 0.00000 0.00002 0.00000 0.00000
71 21G-2 0.00000 0.00000 0.00000 0.00002 0.00000
72 21G+3 0.00000 0.00000 0.00000 0.00000 0.00000
73 21G-3 0.00001 0.00010 0.00000 0.00000 -0.00001
74 21G+4 0.00000 0.00000 0.00007 0.00000 0.00000
75 21G-4 0.00000 0.00000 0.00000 -0.00007 0.00000
76 22G 0 0.00000 0.00002 0.00000 0.00000 -0.00021
77 22G+1 0.00000 0.00000 0.00000 -0.00014 0.00000
78 22G-1 0.00000 0.00000 -0.00014 0.00000 0.00000
79 22G+2 0.00000 0.00000 -0.00007 0.00000 0.00000
80 22G-2 0.00000 0.00000 0.00000 -0.00007 0.00000
81 22G+3 0.00000 0.00000 0.00000 0.00000 0.00000
82 22G-3 0.00000 0.00028 0.00000 0.00000 0.00022
83 22G+4 0.00000 0.00000 -0.00025 0.00000 0.00000
84 22G-4 0.00000 0.00000 0.00000 0.00025 0.00000
85 23H 0 0.00000 -0.00008 0.00000 0.00000 0.00001
86 23H+1 0.00000 0.00000 0.00000 -0.00001 0.00000
87 23H-1 0.00000 0.00000 -0.00001 0.00000 0.00000
88 23H+2 0.00000 0.00000 0.00001 0.00000 0.00000
89 23H-2 0.00000 0.00000 0.00000 0.00001 0.00000
90 23H+3 0.00000 0.00000 0.00000 0.00000 0.00000
91 23H-3 0.00000 0.00002 0.00000 0.00000 -0.00011
92 23H+4 0.00000 0.00000 0.00004 0.00000 0.00000
93 23H-4 0.00000 0.00000 0.00000 -0.00004 0.00000
94 23H+5 0.00000 0.00000 0.00000 0.00000 0.00000
95 23H-5 0.00000 0.00000 0.00000 0.00000 0.00000
96 2 H 1S 0.00000 -0.00010 0.00023 0.00000 -0.00008
97 2S 0.00000 0.00032 0.00031 0.00000 -0.00008
98 3S -0.00006 -0.00188 0.00182 0.00000 -0.00059
99 4S 0.00002 -0.00283 0.00223 0.00000 -0.00056
100 5S 0.00000 0.00005 -0.00008 0.00000 0.00001
101 6PX 0.00000 0.00000 0.00000 0.00001 0.00000
102 6PY 0.00000 0.00004 -0.00004 0.00000 0.00002
103 6PZ 0.00000 -0.00001 0.00002 0.00000 0.00001
104 7PX 0.00000 0.00000 0.00000 0.00000 0.00000
105 7PY 0.00000 -0.00017 -0.00008 0.00000 0.00000
106 7PZ 0.00000 0.00006 0.00002 0.00000 -0.00003
107 8PX 0.00000 0.00000 0.00000 0.00019 0.00000
108 8PY 0.00003 0.00117 -0.00105 0.00000 0.00046
109 8PZ -0.00001 -0.00040 0.00039 0.00000 0.00015
110 9PX 0.00000 0.00000 0.00000 0.00002 0.00000
111 9PY 0.00000 0.00130 -0.00086 0.00000 0.00032
112 9PZ 0.00000 -0.00045 0.00028 0.00000 0.00012
113 10D 0 0.00000 -0.00002 0.00000 0.00000 -0.00001
114 10D+1 0.00000 0.00000 0.00000 -0.00001 0.00000
115 10D-1 0.00000 -0.00002 0.00001 0.00000 0.00001
116 10D+2 0.00000 -0.00004 0.00001 0.00000 -0.00001
117 10D-2 0.00000 0.00000 0.00000 0.00001 0.00000
118 11D 0 0.00000 0.00009 -0.00006 0.00000 0.00008
119 11D+1 0.00000 0.00000 0.00000 0.00003 0.00000
120 11D-1 0.00000 0.00012 -0.00016 0.00000 -0.00003
121 11D+2 0.00000 0.00020 -0.00018 0.00000 0.00011
122 11D-2 0.00000 0.00000 0.00000 -0.00010 0.00000
123 12D 0 0.00000 0.00022 -0.00014 0.00000 0.00019
124 12D+1 0.00000 0.00000 0.00000 0.00003 0.00000
125 12D-1 0.00001 0.00033 -0.00026 0.00000 -0.00012
126 12D+2 0.00000 0.00046 -0.00033 0.00000 0.00021
127 12D-2 0.00000 0.00000 0.00000 -0.00010 0.00000
128 13F 0 0.00000 0.00000 0.00000 0.00000 0.00000
129 13F+1 0.00000 0.00000 0.00000 0.00000 0.00000
130 13F-1 0.00000 0.00000 0.00001 0.00000 0.00000
131 13F+2 0.00000 0.00000 0.00000 0.00000 0.00000
132 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
133 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
134 13F-3 0.00000 0.00000 0.00000 0.00000 0.00000
135 14F 0 0.00000 0.00009 -0.00007 0.00000 -0.00002
136 14F+1 0.00000 0.00000 0.00000 -0.00001 0.00000
137 14F-1 0.00000 -0.00008 -0.00002 0.00000 -0.00012
138 14F+2 0.00000 0.00011 -0.00010 0.00000 -0.00005
139 14F-2 0.00000 0.00000 0.00000 -0.00005 0.00000
140 14F+3 0.00000 0.00000 0.00000 -0.00010 0.00000
141 14F-3 0.00000 -0.00014 0.00006 0.00000 -0.00009
142 15G 0 0.00000 0.00000 0.00000 0.00000 -0.00001
143 15G+1 0.00000 0.00000 0.00000 0.00000 0.00000
144 15G-1 0.00000 -0.00002 0.00001 0.00000 0.00000
145 15G+2 0.00000 -0.00001 0.00000 0.00000 -0.00001
146 15G-2 0.00000 0.00000 0.00000 0.00000 0.00000
147 15G+3 0.00000 0.00000 0.00000 -0.00001 0.00000
148 15G-3 0.00000 -0.00001 0.00001 0.00000 0.00000
149 15G+4 0.00000 -0.00002 0.00001 0.00000 -0.00001
150 15G-4 0.00000 0.00000 0.00000 0.00001 0.00000
151 3 H 1S 0.00000 -0.00010 -0.00012 0.00020 -0.00008
152 2S 0.00000 0.00032 -0.00016 0.00027 -0.00008
153 3S -0.00006 -0.00188 -0.00091 0.00158 -0.00059
154 4S 0.00002 -0.00283 -0.00112 0.00193 -0.00056
155 5S 0.00000 0.00005 0.00004 -0.00007 0.00001
156 6PX 0.00000 0.00003 0.00002 -0.00003 0.00002
157 6PY 0.00000 -0.00002 0.00000 0.00002 -0.00001
158 6PZ 0.00000 -0.00001 -0.00001 0.00001 0.00001
159 7PX 0.00000 -0.00015 0.00003 -0.00006 0.00000
160 7PY 0.00000 0.00009 -0.00002 0.00003 0.00000
161 7PZ 0.00000 0.00006 -0.00001 0.00002 -0.00003
162 8PX 0.00002 0.00101 0.00053 -0.00074 0.00040
163 8PY -0.00001 -0.00058 -0.00012 0.00053 -0.00023
164 8PZ -0.00001 -0.00040 -0.00020 0.00034 0.00015
165 9PX 0.00000 0.00113 0.00038 -0.00064 0.00028
166 9PY 0.00000 -0.00065 -0.00020 0.00038 -0.00016
167 9PZ 0.00000 -0.00045 -0.00014 0.00024 0.00012
168 10D 0 0.00000 -0.00002 0.00000 0.00000 -0.00001
169 10D+1 0.00000 -0.00002 -0.00001 0.00001 0.00001
170 10D-1 0.00000 0.00001 0.00000 -0.00001 0.00000
171 10D+2 0.00000 0.00002 0.00001 0.00000 0.00001
172 10D-2 0.00000 -0.00004 0.00000 0.00001 -0.00001
173 11D 0 0.00000 0.00009 0.00003 -0.00006 0.00008
174 11D+1 0.00000 0.00010 0.00008 -0.00011 -0.00002
175 11D-1 0.00000 -0.00006 -0.00001 0.00008 0.00001
176 11D+2 0.00000 -0.00010 -0.00012 0.00003 -0.00006
177 11D-2 0.00000 0.00017 0.00003 -0.00016 0.00010
178 12D 0 0.00000 0.00022 0.00007 -0.00012 0.00019
179 12D+1 0.00001 0.00029 0.00012 -0.00019 -0.00010
180 12D-1 0.00000 -0.00017 -0.00004 0.00012 0.00006
181 12D+2 0.00000 -0.00023 -0.00016 0.00010 -0.00010
182 12D-2 0.00000 0.00040 0.00010 -0.00027 0.00018
183 13F 0 0.00000 0.00000 0.00000 0.00000 0.00000
184 13F+1 0.00000 0.00000 0.00000 0.00000 0.00000
185 13F-1 0.00000 0.00000 0.00000 0.00000 0.00000
186 13F+2 0.00000 0.00000 0.00000 0.00000 0.00000
187 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
188 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
189 13F-3 0.00000 0.00000 0.00000 0.00000 0.00000
190 14F 0 0.00000 0.00009 0.00004 -0.00006 -0.00002
191 14F+1 0.00000 -0.00007 0.00000 -0.00002 -0.00011
192 14F-1 0.00000 0.00004 -0.00002 0.00000 0.00006
193 14F+2 0.00000 -0.00005 -0.00007 0.00002 0.00002
194 14F-2 0.00000 0.00009 0.00002 -0.00009 -0.00004
195 14F+3 0.00000 0.00000 0.00009 0.00005 0.00000
196 14F-3 0.00000 -0.00014 -0.00003 0.00006 -0.00009
197 15G 0 0.00000 0.00000 0.00000 0.00000 -0.00001
198 15G+1 0.00000 -0.00001 -0.00001 0.00001 0.00000
199 15G-1 0.00000 0.00001 0.00000 -0.00001 0.00000
200 15G+2 0.00000 0.00000 0.00000 0.00000 0.00001
201 15G-2 0.00000 -0.00001 0.00000 0.00000 -0.00001
202 15G+3 0.00000 0.00000 0.00001 0.00000 0.00000
203 15G-3 0.00000 -0.00001 -0.00001 0.00001 0.00000
204 15G+4 0.00000 0.00001 -0.00001 -0.00001 0.00001
205 15G-4 0.00000 0.00002 0.00001 0.00000 0.00001
206 4 H 1S 0.00000 -0.00010 -0.00012 -0.00020 -0.00008
207 2S 0.00000 0.00032 -0.00016 -0.00027 -0.00008
208 3S -0.00006 -0.00188 -0.00091 -0.00158 -0.00059
209 4S 0.00002 -0.00283 -0.00112 -0.00193 -0.00056
210 5S 0.00000 0.00005 0.00004 0.00007 0.00001
211 6PX 0.00000 -0.00003 -0.00002 -0.00003 -0.00002
212 6PY 0.00000 -0.00002 0.00000 -0.00002 -0.00001
213 6PZ 0.00000 -0.00001 -0.00001 -0.00001 0.00001
214 7PX 0.00000 0.00015 -0.00003 -0.00006 0.00000
215 7PY 0.00000 0.00009 -0.00002 -0.00003 0.00000
216 7PZ 0.00000 0.00006 -0.00001 -0.00002 -0.00003
217 8PX -0.00002 -0.00101 -0.00053 -0.00074 -0.00040
218 8PY -0.00001 -0.00058 -0.00012 -0.00053 -0.00023
219 8PZ -0.00001 -0.00040 -0.00020 -0.00034 0.00015
220 9PX 0.00000 -0.00113 -0.00038 -0.00064 -0.00028
221 9PY 0.00000 -0.00065 -0.00020 -0.00038 -0.00016
222 9PZ 0.00000 -0.00045 -0.00014 -0.00024 0.00012
223 10D 0 0.00000 -0.00002 0.00000 0.00000 -0.00001
224 10D+1 0.00000 0.00002 0.00001 0.00001 -0.00001
225 10D-1 0.00000 0.00001 0.00000 0.00001 0.00000
226 10D+2 0.00000 0.00002 0.00001 0.00000 0.00001
227 10D-2 0.00000 0.00004 0.00000 0.00001 0.00001
228 11D 0 0.00000 0.00009 0.00003 0.00006 0.00008
229 11D+1 0.00000 -0.00010 -0.00008 -0.00011 0.00002
230 11D-1 0.00000 -0.00006 -0.00001 -0.00008 0.00001
231 11D+2 0.00000 -0.00010 -0.00012 -0.00003 -0.00006
232 11D-2 0.00000 -0.00017 -0.00003 -0.00016 -0.00010
233 12D 0 0.00000 0.00022 0.00007 0.00012 0.00019
234 12D+1 -0.00001 -0.00029 -0.00012 -0.00019 0.00010
235 12D-1 0.00000 -0.00017 -0.00004 -0.00012 0.00006
236 12D+2 0.00000 -0.00023 -0.00016 -0.00010 -0.00010
237 12D-2 0.00000 -0.00040 -0.00010 -0.00027 -0.00018
238 13F 0 0.00000 0.00000 0.00000 0.00000 0.00000
239 13F+1 0.00000 0.00000 0.00000 0.00000 0.00000
240 13F-1 0.00000 0.00000 0.00000 0.00000 0.00000
241 13F+2 0.00000 0.00000 0.00000 0.00000 0.00000
242 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
243 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
244 13F-3 0.00000 0.00000 0.00000 0.00000 0.00000
245 14F 0 0.00000 0.00009 0.00004 0.00006 -0.00002
246 14F+1 0.00000 0.00007 0.00000 -0.00002 0.00011
247 14F-1 0.00000 0.00004 -0.00002 0.00000 0.00006
248 14F+2 0.00000 -0.00005 -0.00007 -0.00002 0.00002
249 14F-2 0.00000 -0.00009 -0.00002 -0.00009 0.00004
250 14F+3 0.00000 0.00000 -0.00009 0.00005 0.00000
251 14F-3 0.00000 -0.00014 -0.00003 -0.00006 -0.00009
252 15G 0 0.00000 0.00000 0.00000 0.00000 -0.00001
253 15G+1 0.00000 0.00001 0.00001 0.00001 0.00000
254 15G-1 0.00000 0.00001 0.00000 0.00001 0.00000
255 15G+2 0.00000 0.00000 0.00000 0.00000 0.00001
256 15G-2 0.00000 0.00001 0.00000 0.00000 0.00001
257 15G+3 0.00000 0.00000 -0.00001 0.00000 0.00000
258 15G-3 0.00000 -0.00001 -0.00001 -0.00001 0.00000
259 15G+4 0.00000 0.00001 -0.00001 0.00001 0.00001
260 15G-4 0.00000 -0.00002 -0.00001 0.00000 -0.00001
6 7 8 9 10
(A1)--O (E)--O (E)--O (A1)--O (A1)--V
Eigenvalues -- -0.72825 -0.49654 -0.49654 -0.33581 0.10588
1 1 Si 1S 0.05400 0.00000 0.00000 0.02577 0.02872
2 2S -0.07956 0.00000 0.00000 -0.03815 -0.04076
3 3S 0.21972 0.00000 0.00000 0.11006 0.13560
4 4S -0.12723 0.00000 0.00000 -0.06904 -0.02059
5 5S 0.27940 0.00000 0.00000 0.16627 0.61513
6 6S 0.37867 0.00000 0.00000 0.23247 -2.34185
7 7S 0.05707 0.00000 0.00000 0.26733 2.34855
8 8PX 0.00000 0.00000 -0.08592 0.00000 0.00000
9 8PY 0.00000 -0.08592 0.00000 0.00000 0.00000
10 8PZ 0.02324 0.00000 0.00000 -0.10453 0.00891
11 9PX 0.00000 0.00000 0.08369 0.00000 0.00000
12 9PY 0.00000 0.08369 0.00000 0.00000 0.00000
13 9PZ -0.02241 0.00000 0.00000 0.10223 -0.01152
14 10PX 0.00000 0.00000 0.01193 0.00000 0.00000
15 10PY 0.00000 0.01193 0.00000 0.00000 0.00000
16 10PZ -0.00215 0.00000 0.00000 0.01313 -0.02001
17 11PX 0.00000 0.00000 0.20821 0.00000 0.00000
18 11PY 0.00000 0.20821 0.00000 0.00000 0.00000
19 11PZ -0.05582 0.00000 0.00000 0.30146 0.07534
20 12PX 0.00000 0.00000 0.21279 0.00000 0.00000
21 12PY 0.00000 0.21279 0.00000 0.00000 0.00000
22 12PZ -0.04739 0.00000 0.00000 0.45258 0.79642
23 13PX 0.00000 0.00000 0.02575 0.00000 0.00000
24 13PY 0.00000 0.02575 0.00000 0.00000 0.00000
25 13PZ -0.01207 0.00000 0.00000 0.16136 -0.95058
26 14D 0 -0.00810 0.00000 0.00000 0.07740 0.32521
27 14D+1 0.00000 0.00000 -0.01905 0.00000 0.00000
28 14D-1 0.00000 -0.01905 0.00000 0.00000 0.00000
29 14D+2 0.00000 -0.03218 0.00000 0.00000 0.00000
30 14D-2 0.00000 0.00000 -0.03218 0.00000 0.00000
31 15D 0 -0.02168 0.00000 0.00000 0.06594 0.23582
32 15D+1 0.00000 0.00000 -0.03213 0.00000 0.00000
33 15D-1 0.00000 -0.03213 0.00000 0.00000 0.00000
34 15D+2 0.00000 -0.05381 0.00000 0.00000 0.00000
35 15D-2 0.00000 0.00000 -0.05381 0.00000 0.00000
36 16D 0 -0.00798 0.00000 0.00000 0.01280 -0.01365
37 16D+1 0.00000 0.00000 -0.01122 0.00000 0.00000
38 16D-1 0.00000 -0.01122 0.00000 0.00000 0.00000
39 16D+2 0.00000 -0.01740 0.00000 0.00000 0.00000
40 16D-2 0.00000 0.00000 -0.01740 0.00000 0.00000
41 17D 0 -0.00306 0.00000 0.00000 0.00543 0.00577
42 17D+1 0.00000 0.00000 -0.00527 0.00000 0.00000
43 17D-1 0.00000 -0.00527 0.00000 0.00000 0.00000
44 17D+2 0.00000 -0.00821 0.00000 0.00000 0.00000
45 17D-2 0.00000 0.00000 -0.00821 0.00000 0.00000
46 18F 0 0.00302 0.00000 0.00000 0.00950 -0.14098
47 18F+1 0.00000 0.00000 -0.00134 0.00000 0.00000
48 18F-1 0.00000 -0.00134 0.00000 0.00000 0.00000
49 18F+2 0.00000 0.00573 0.00000 0.00000 0.00000
50 18F-2 0.00000 0.00000 0.00573 0.00000 0.00000
51 18F+3 0.00000 0.00000 0.00000 0.00000 0.00000
52 18F-3 -0.00582 0.00000 0.00000 0.00785 0.26509
53 19F 0 0.00362 0.00000 0.00000 -0.00030 -0.03949
54 19F+1 0.00000 0.00000 -0.00194 0.00000 0.00000
55 19F-1 0.00000 -0.00194 0.00000 0.00000 0.00000
56 19F+2 0.00000 0.00626 0.00000 0.00000 0.00000
57 19F-2 0.00000 0.00000 0.00626 0.00000 0.00000
58 19F+3 0.00000 0.00000 0.00000 0.00000 0.00000
59 19F-3 -0.00695 0.00000 0.00000 0.01290 0.05398
60 20F 0 0.00385 0.00000 0.00000 0.00181 -0.01149
61 20F+1 0.00000 0.00000 -0.00185 0.00000 0.00000
62 20F-1 0.00000 -0.00185 0.00000 0.00000 0.00000
63 20F+2 0.00000 0.00314 0.00000 0.00000 0.00000
64 20F-2 0.00000 0.00000 0.00314 0.00000 0.00000
65 20F+3 0.00000 0.00000 0.00000 0.00000 0.00000
66 20F-3 -0.00669 0.00000 0.00000 0.00111 0.02518
67 21G 0 0.00073 0.00000 0.00000 -0.00043 -0.00045
68 21G+1 0.00000 0.00000 0.00118 0.00000 0.00000
69 21G-1 0.00000 0.00118 0.00000 0.00000 0.00000
70 21G+2 0.00000 0.00004 0.00000 0.00000 0.00000
71 21G-2 0.00000 0.00000 0.00004 0.00000 0.00000
72 21G+3 0.00000 0.00000 0.00000 0.00000 0.00000
73 21G-3 0.00132 0.00000 0.00000 -0.00229 -0.02621
74 21G+4 0.00000 0.00020 0.00000 0.00000 0.00000
75 21G-4 0.00000 0.00000 -0.00020 0.00000 0.00000
76 22G 0 0.00005 0.00000 0.00000 0.00031 -0.00111
77 22G+1 0.00000 0.00000 0.00053 0.00000 0.00000
78 22G-1 0.00000 0.00053 0.00000 0.00000 0.00000
79 22G+2 0.00000 0.00020 0.00000 0.00000 0.00000
80 22G-2 0.00000 0.00000 0.00020 0.00000 0.00000
81 22G+3 0.00000 0.00000 0.00000 0.00000 0.00000
82 22G-3 0.00188 0.00000 0.00000 -0.00075 -0.00502
83 22G+4 0.00000 0.00075 0.00000 0.00000 0.00000
84 22G-4 0.00000 0.00000 -0.00075 0.00000 0.00000
85 23H 0 -0.00038 0.00000 0.00000 0.00064 -0.00019
86 23H+1 0.00000 0.00000 -0.00005 0.00000 0.00000
87 23H-1 0.00000 -0.00005 0.00000 0.00000 0.00000
88 23H+2 0.00000 -0.00035 0.00000 0.00000 0.00000
89 23H-2 0.00000 0.00000 -0.00035 0.00000 0.00000
90 23H+3 0.00000 0.00000 0.00000 0.00000 0.00000
91 23H-3 0.00001 0.00000 0.00000 -0.00007 0.00018
92 23H+4 0.00000 -0.00032 0.00000 0.00000 0.00000
93 23H-4 0.00000 0.00000 0.00032 0.00000 0.00000
94 23H+5 0.00000 0.00000 -0.00042 0.00000 0.00000
95 23H-5 0.00000 0.00042 0.00000 0.00000 0.00000
96 2 H 1S 0.02120 0.03839 0.00000 -0.00862 -0.00408
97 2S 0.04926 0.08803 0.00000 -0.02179 0.00320
98 3S 0.10470 0.19723 0.00000 -0.03726 -0.10505
99 4S 0.09881 0.22118 0.00000 -0.05264 1.64558
100 5S 0.01939 0.08192 0.00000 -0.06199 -1.75111
101 6PX 0.00000 0.00000 0.00021 0.00000 0.00000
102 6PY -0.00059 -0.00081 0.00000 0.00010 -0.00330
103 6PZ 0.00014 0.00034 0.00000 0.00037 0.00047
104 7PX 0.00000 0.00000 0.00039 0.00000 0.00000
105 7PY -0.00203 -0.00144 0.00000 0.00052 0.01246
106 7PZ 0.00052 0.00054 0.00000 0.00101 -0.00261
107 8PX 0.00000 0.00000 0.00366 0.00000 0.00000
108 8PY -0.01030 -0.01505 0.00000 -0.00055 -0.05535
109 8PZ 0.00248 0.00617 0.00000 0.00675 0.00912
110 9PX 0.00000 0.00000 0.00617 0.00000 0.00000
111 9PY -0.00960 -0.01934 0.00000 0.00076 -0.39384
112 9PZ 0.00147 0.00856 0.00000 0.01261 0.13061
113 10D 0 -0.00006 0.00006 0.00000 0.00009 -0.00088
114 10D+1 0.00000 0.00000 0.00001 0.00000 0.00000
115 10D-1 -0.00004 0.00001 0.00000 -0.00010 -0.00031
116 10D+2 -0.00011 0.00007 0.00000 0.00004 -0.00152
117 10D-2 0.00000 0.00000 -0.00009 0.00000 0.00000
118 11D 0 -0.00030 -0.00067 0.00000 0.00012 0.00445
119 11D+1 0.00000 0.00000 0.00003 0.00000 0.00000
120 11D-1 -0.00039 -0.00089 0.00000 -0.00033 0.00261
121 11D+2 -0.00059 -0.00141 0.00000 0.00003 0.00796
122 11D-2 0.00000 0.00000 -0.00012 0.00000 0.00000
123 12D 0 -0.00068 -0.00133 0.00000 0.00181 -0.02966
124 12D+1 0.00000 0.00000 0.00053 0.00000 0.00000
125 12D-1 -0.00043 -0.00330 0.00000 -0.00219 -0.03378
126 12D+2 -0.00131 -0.00391 0.00000 0.00081 -0.06159
127 12D-2 0.00000 0.00000 -0.00224 0.00000 0.00000
128 13F 0 -0.00001 0.00001 0.00000 -0.00002 0.00032
129 13F+1 0.00000 0.00000 -0.00001 0.00000 0.00000
130 13F-1 0.00003 -0.00001 0.00000 -0.00001 -0.00016
131 13F+2 -0.00002 0.00000 0.00000 -0.00006 0.00080
132 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
133 13F+3 0.00000 0.00000 -0.00002 0.00000 0.00000
134 13F-3 0.00003 -0.00001 0.00000 0.00002 -0.00035
135 14F 0 -0.00009 -0.00075 0.00000 0.00009 -0.00330
136 14F+1 0.00000 0.00000 0.00000 0.00000 0.00000
137 14F-1 -0.00002 0.00053 0.00000 -0.00040 0.00198
138 14F+2 -0.00012 -0.00096 0.00000 0.00017 -0.00595
139 14F-2 0.00000 0.00000 -0.00011 0.00000 0.00000
140 14F+3 0.00000 0.00000 -0.00019 0.00000 0.00000
141 14F-3 0.00013 0.00127 0.00000 -0.00041 0.00442
142 15G 0 0.00000 0.00001 0.00000 -0.00002 0.00001
143 15G+1 0.00000 0.00000 0.00000 0.00000 0.00000
144 15G-1 0.00002 0.00012 0.00000 -0.00002 0.00030
145 15G+2 0.00000 0.00004 0.00000 -0.00003 0.00008
146 15G-2 0.00000 0.00000 0.00001 0.00000 0.00000
147 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
148 15G-3 0.00002 0.00011 0.00000 -0.00002 0.00025
149 15G+4 0.00001 0.00014 0.00000 -0.00004 0.00024
150 15G-4 0.00000 0.00000 0.00001 0.00000 0.00000
151 3 H 1S 0.02120 -0.01919 0.03324 -0.00862 -0.00408
152 2S 0.04926 -0.04402 0.07624 -0.02179 0.00320
153 3S 0.10470 -0.09861 0.17080 -0.03726 -0.10505
154 4S 0.09881 -0.11059 0.19155 -0.05264 1.64558
155 5S 0.01939 -0.04096 0.07095 -0.06199 -1.75111
156 6PX -0.00051 0.00045 -0.00056 0.00009 -0.00286
157 6PY 0.00030 -0.00004 0.00045 -0.00005 0.00165
158 6PZ 0.00014 -0.00017 0.00030 0.00037 0.00047
159 7PX -0.00176 0.00079 -0.00098 0.00045 0.01079
160 7PY 0.00102 -0.00007 0.00079 -0.00026 -0.00623
161 7PZ 0.00052 -0.00027 0.00047 0.00101 -0.00261
162 8PX -0.00892 0.00810 -0.01037 -0.00047 -0.04793
163 8PY 0.00515 -0.00102 0.00810 0.00027 0.02768
164 8PZ 0.00248 -0.00308 0.00534 0.00675 0.00912
165 9PX -0.00831 0.01104 -0.01296 0.00066 -0.34108
166 9PY 0.00480 -0.00021 0.01104 -0.00038 0.19692
167 9PZ 0.00147 -0.00428 0.00741 0.01261 0.13061
168 10D 0 -0.00006 -0.00003 0.00005 0.00009 -0.00088
169 10D+1 -0.00004 0.00000 0.00001 -0.00008 -0.00027
170 10D-1 0.00002 0.00001 0.00000 0.00005 0.00015
171 10D+2 0.00006 -0.00005 -0.00007 -0.00002 0.00076
172 10D-2 -0.00010 -0.00007 0.00003 0.00003 -0.00132
173 11D 0 -0.00030 0.00034 -0.00058 0.00012 0.00445
174 11D+1 -0.00034 0.00040 -0.00066 -0.00028 0.00226
175 11D-1 0.00020 -0.00020 0.00040 0.00016 -0.00131
176 11D+2 0.00030 -0.00044 0.00056 -0.00002 -0.00398
177 11D-2 -0.00051 0.00056 -0.00109 0.00003 0.00689
178 12D 0 -0.00068 0.00067 -0.00116 0.00181 -0.02966
179 12D+1 -0.00038 0.00166 -0.00235 -0.00190 -0.02925
180 12D-1 0.00022 -0.00043 0.00166 0.00110 0.01689
181 12D+2 0.00065 -0.00266 0.00072 -0.00040 0.03079
182 12D-2 -0.00113 0.00072 -0.00349 0.00070 -0.05334
183 13F 0 -0.00001 0.00000 0.00000 -0.00002 0.00032
184 13F+1 0.00003 0.00000 -0.00001 -0.00001 -0.00014
185 13F-1 -0.00002 -0.00001 0.00000 0.00000 0.00008
186 13F+2 0.00001 0.00000 0.00000 0.00003 -0.00040
187 13F-2 -0.00002 0.00000 0.00000 -0.00005 0.00069
188 13F+3 0.00000 0.00002 0.00001 0.00000 0.00000
189 13F-3 0.00003 0.00001 -0.00001 0.00002 -0.00035
190 14F 0 -0.00009 0.00038 -0.00065 0.00009 -0.00330
191 14F+1 -0.00002 -0.00023 0.00039 -0.00034 0.00172
192 14F-1 0.00001 0.00013 -0.00023 0.00020 -0.00099
193 14F+2 0.00006 -0.00032 0.00037 -0.00009 0.00298
194 14F-2 -0.00010 0.00037 -0.00075 0.00015 -0.00516
195 14F+3 0.00000 0.00016 0.00009 0.00000 0.00000
196 14F-3 0.00013 -0.00063 0.00110 -0.00041 0.00442
197 15G 0 0.00000 -0.00001 0.00001 -0.00002 0.00001
198 15G+1 0.00002 -0.00005 0.00009 -0.00002 0.00026
199 15G-1 -0.00001 0.00003 -0.00005 0.00001 -0.00015
200 15G+2 0.00000 0.00001 -0.00001 0.00001 -0.00004
201 15G-2 0.00000 -0.00001 0.00003 -0.00002 0.00007
202 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
203 15G-3 0.00002 -0.00006 0.00010 -0.00002 0.00025
204 15G+4 0.00000 0.00002 -0.00006 0.00002 -0.00012
205 15G-4 -0.00001 0.00006 -0.00010 0.00004 -0.00021
206 4 H 1S 0.02120 -0.01919 -0.03324 -0.00862 -0.00408
207 2S 0.04926 -0.04402 -0.07624 -0.02179 0.00320
208 3S 0.10470 -0.09861 -0.17080 -0.03726 -0.10505
209 4S 0.09881 -0.11059 -0.19155 -0.05264 1.64558
210 5S 0.01939 -0.04096 -0.07095 -0.06199 -1.75111
211 6PX 0.00051 -0.00045 -0.00056 -0.00009 0.00286
212 6PY 0.00030 -0.00004 -0.00045 -0.00005 0.00165
213 6PZ 0.00014 -0.00017 -0.00030 0.00037 0.00047
214 7PX 0.00176 -0.00079 -0.00098 -0.00045 -0.01079
215 7PY 0.00102 -0.00007 -0.00079 -0.00026 -0.00623
216 7PZ 0.00052 -0.00027 -0.00047 0.00101 -0.00261
217 8PX 0.00892 -0.00810 -0.01037 0.00047 0.04793
218 8PY 0.00515 -0.00102 -0.00810 0.00027 0.02768
219 8PZ 0.00248 -0.00308 -0.00534 0.00675 0.00912
220 9PX 0.00831 -0.01104 -0.01296 -0.00066 0.34108
221 9PY 0.00480 -0.00021 -0.01104 -0.00038 0.19692
222 9PZ 0.00147 -0.00428 -0.00741 0.01261 0.13061
223 10D 0 -0.00006 -0.00003 -0.00005 0.00009 -0.00088
224 10D+1 0.00004 0.00000 0.00001 0.00008 0.00027
225 10D-1 0.00002 0.00001 0.00000 0.00005 0.00015
226 10D+2 0.00006 -0.00005 0.00007 -0.00002 0.00076
227 10D-2 0.00010 0.00007 0.00003 -0.00003 0.00132
228 11D 0 -0.00030 0.00034 0.00058 0.00012 0.00445
229 11D+1 0.00034 -0.00040 -0.00066 0.00028 -0.00226
230 11D-1 0.00020 -0.00020 -0.00040 0.00016 -0.00131
231 11D+2 0.00030 -0.00044 -0.00056 -0.00002 -0.00398
232 11D-2 0.00051 -0.00056 -0.00109 -0.00003 -0.00689
233 12D 0 -0.00068 0.00067 0.00116 0.00181 -0.02966
234 12D+1 0.00038 -0.00166 -0.00235 0.00190 0.02925
235 12D-1 0.00022 -0.00043 -0.00166 0.00110 0.01689
236 12D+2 0.00065 -0.00266 -0.00072 -0.00040 0.03079
237 12D-2 0.00113 -0.00072 -0.00349 -0.00070 0.05334
238 13F 0 -0.00001 0.00000 0.00000 -0.00002 0.00032
239 13F+1 -0.00003 0.00000 -0.00001 0.00001 0.00014
240 13F-1 -0.00002 -0.00001 0.00000 0.00000 0.00008
241 13F+2 0.00001 0.00000 0.00000 0.00003 -0.00040
242 13F-2 0.00002 0.00000 0.00000 0.00005 -0.00069
243 13F+3 0.00000 -0.00002 0.00001 0.00000 0.00000
244 13F-3 0.00003 0.00001 0.00001 0.00002 -0.00035
245 14F 0 -0.00009 0.00038 0.00065 0.00009 -0.00330
246 14F+1 0.00002 0.00023 0.00039 0.00034 -0.00172
247 14F-1 0.00001 0.00013 0.00023 0.00020 -0.00099
248 14F+2 0.00006 -0.00032 -0.00037 -0.00009 0.00298
249 14F-2 0.00010 -0.00037 -0.00075 -0.00015 0.00516
250 14F+3 0.00000 -0.00016 0.00009 0.00000 0.00000
251 14F-3 0.00013 -0.00063 -0.00110 -0.00041 0.00442
252 15G 0 0.00000 -0.00001 -0.00001 -0.00002 0.00001
253 15G+1 -0.00002 0.00005 0.00009 0.00002 -0.00026
254 15G-1 -0.00001 0.00003 0.00005 0.00001 -0.00015
255 15G+2 0.00000 0.00001 0.00001 0.00001 -0.00004
256 15G-2 0.00000 0.00001 0.00003 0.00002 -0.00007
257 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
258 15G-3 0.00002 -0.00006 -0.00010 -0.00002 0.00025
259 15G+4 0.00000 0.00002 0.00006 0.00002 -0.00012
260 15G-4 0.00001 -0.00006 -0.00010 -0.00004 0.00021
11 12 13 14 15
(E)--V (E)--V (A1)--V (E)--V (E)--V
Eigenvalues -- 0.11193 0.11193 0.15569 0.17293 0.17293
1 1 Si 1S 0.00000 0.00000 0.00080 0.00000 0.00000
2 2S 0.00000 0.00000 0.00089 0.00000 0.00000
3 3S 0.00000 0.00000 0.00330 0.00000 0.00000
4 4S 0.00000 0.00000 -0.07034 0.00000 0.00000
5 5S 0.00000 0.00000 0.87301 0.00000 0.00000
6 6S 0.00000 0.00000 -2.22051 0.00000 0.00000
7 7S 0.00000 0.00000 2.95185 0.00000 0.00000
8 8PX 0.00000 -0.01332 0.00000 0.00000 0.06051
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34 15D+2 0.19257 0.00000 0.00000 0.11460 0.00000
35 15D-2 0.00000 0.19257 0.00000 0.00000 0.11460
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38 16D-1 -0.00590 0.00000 0.00000 -0.02636 0.00000
39 16D+2 -0.00820 0.00000 0.00000 -0.03622 0.00000
40 16D-2 0.00000 -0.00820 0.00000 0.00000 -0.03622
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43 17D-1 0.00753 0.00000 0.00000 0.00254 0.00000
44 17D+2 0.01149 0.00000 0.00000 0.00313 0.00000
45 17D-2 0.00000 0.01149 0.00000 0.00000 0.00313
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48 18F-1 -0.02967 0.00000 0.00000 -0.01266 0.00000
49 18F+2 0.13467 0.00000 0.00000 0.16637 0.00000
50 18F-2 0.00000 0.13467 0.00000 0.00000 0.16637
51 18F+3 0.00000 0.00000 0.00000 0.00000 0.00000
52 18F-3 0.00000 0.00000 -0.09195 0.00000 0.00000
53 19F 0 0.00000 0.00000 -0.21574 0.00000 0.00000
54 19F+1 0.00000 0.06249 0.00000 0.00000 0.08835
55 19F-1 0.06249 0.00000 0.00000 0.08835 0.00000
56 19F+2 -0.07199 0.00000 0.00000 -0.09889 0.00000
57 19F-2 0.00000 -0.07199 0.00000 0.00000 -0.09889
58 19F+3 0.00000 0.00000 0.00000 0.00000 0.00000
59 19F-3 0.00000 0.00000 0.33156 0.00000 0.00000
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61 20F+1 0.00000 -0.00605 0.00000 0.00000 -0.01245
62 20F-1 -0.00605 0.00000 0.00000 -0.01245 0.00000
63 20F+2 0.00474 0.00000 0.00000 0.01516 0.00000
64 20F-2 0.00000 0.00474 0.00000 0.00000 0.01516
65 20F+3 0.00000 0.00000 0.00000 0.00000 0.00000
66 20F-3 0.00000 0.00000 -0.05141 0.00000 0.00000
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68 21G+1 0.00000 -0.01332 0.00000 0.00000 -0.03890
69 21G-1 -0.01332 0.00000 0.00000 -0.03890 0.00000
70 21G+2 -0.01561 0.00000 0.00000 -0.02650 0.00000
71 21G-2 0.00000 -0.01561 0.00000 0.00000 -0.02650
72 21G+3 0.00000 0.00000 0.00000 0.00000 0.00000
73 21G-3 0.00000 0.00000 -0.13640 0.00000 0.00000
74 21G+4 -0.04461 0.00000 0.00000 -0.09703 0.00000
75 21G-4 0.00000 0.04461 0.00000 0.00000 0.09703
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78 22G-1 -0.00985 0.00000 0.00000 -0.01073 0.00000
79 22G+2 -0.00238 0.00000 0.00000 -0.00188 0.00000
80 22G-2 0.00000 -0.00238 0.00000 0.00000 -0.00188
81 22G+3 0.00000 0.00000 0.00000 0.00000 0.00000
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83 22G+4 -0.00655 0.00000 0.00000 -0.00640 0.00000
84 22G-4 0.00000 0.00655 0.00000 0.00000 0.00640
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87 23H-1 -0.00167 0.00000 0.00000 -0.00191 0.00000
88 23H+2 0.00751 0.00000 0.00000 0.01348 0.00000
89 23H-2 0.00000 0.00751 0.00000 0.00000 0.01348
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91 23H-3 0.00000 0.00000 0.00680 0.00000 0.00000
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93 23H-4 0.00000 -0.01114 0.00000 0.00000 -0.02415
94 23H+5 0.00000 0.00936 0.00000 0.00000 0.01376
95 23H-5 -0.00936 0.00000 0.00000 -0.01376 0.00000
96 2 H 1S -0.01182 0.00000 -0.00537 0.00341 0.00000
97 2S -0.04568 0.00000 -0.06913 -0.08322 0.00000
98 3S 0.10332 0.00000 0.40502 0.53990 0.00000
99 4S -0.50121 0.00000 -0.40180 -1.33387 0.00000
100 5S -2.06567 0.00000 -0.46920 2.33829 0.00000
101 6PX 0.00000 0.00076 0.00000 0.00000 0.00023
102 6PY -0.00180 0.00000 -0.00100 0.00274 0.00000
103 6PZ 0.00113 0.00000 -0.00100 -0.00043 0.00000
104 7PX 0.00000 0.00055 0.00000 0.00000 -0.00405
105 7PY 0.01212 0.00000 0.00960 -0.00264 0.00000
106 7PZ -0.00526 0.00000 0.00198 -0.00227 0.00000
107 8PX 0.00000 0.01079 0.00000 0.00000 0.00859
108 8PY -0.09259 0.00000 -0.12208 -0.06219 0.00000
109 8PZ 0.03953 0.00000 0.01203 0.02885 0.00000
110 9PX 0.00000 0.08618 0.00000 0.00000 0.11835
111 9PY 0.12158 0.00000 -0.03521 0.04471 0.00000
112 9PZ 0.01707 0.00000 -0.03412 0.05922 0.00000
113 10D 0 0.00082 0.00000 0.00069 0.00163 0.00000
114 10D+1 0.00000 0.00042 0.00000 0.00000 0.00062
115 10D-1 0.00038 0.00000 0.00187 0.00125 0.00000
116 10D+2 0.00158 0.00000 0.00145 0.00334 0.00000
117 10D-2 0.00000 -0.00106 0.00000 0.00000 -0.00095
118 11D 0 -0.00476 0.00000 -0.00433 -0.00954 0.00000
119 11D+1 0.00000 -0.00146 0.00000 0.00000 -0.00321
120 11D-1 -0.00288 0.00000 -0.01074 -0.00758 0.00000
121 11D+2 -0.00870 0.00000 -0.00990 -0.01870 0.00000
122 11D-2 0.00000 0.00439 0.00000 0.00000 0.00549
123 12D 0 0.00685 0.00000 -0.00140 0.02115 0.00000
124 12D+1 0.00000 0.00479 0.00000 0.00000 0.01244
125 12D-1 -0.01551 0.00000 0.02894 -0.00606 0.00000
126 12D+2 -0.00255 0.00000 0.00489 0.01984 0.00000
127 12D-2 0.00000 -0.01502 0.00000 0.00000 -0.03097
128 13F 0 -0.00074 0.00000 -0.00057 -0.00129 0.00000
129 13F+1 0.00000 -0.00016 0.00000 0.00000 -0.00029
130 13F-1 0.00032 0.00000 0.00117 0.00064 0.00000
131 13F+2 -0.00034 0.00000 -0.00157 -0.00064 0.00000
132 13F-2 0.00000 -0.00018 0.00000 0.00000 0.00011
133 13F+3 0.00000 -0.00033 0.00000 0.00000 -0.00007
134 13F-3 0.00062 0.00000 0.00130 0.00119 0.00000
135 14F 0 0.00179 0.00000 0.00296 0.00419 0.00000
136 14F+1 0.00000 0.00055 0.00000 0.00000 0.00076
137 14F-1 -0.00098 0.00000 -0.00469 -0.00210 0.00000
138 14F+2 -0.00085 0.00000 0.00821 0.00022 0.00000
139 14F-2 0.00000 0.00101 0.00000 0.00000 -0.00023
140 14F+3 0.00000 0.00104 0.00000 0.00000 -0.00112
141 14F-3 0.00006 0.00000 -0.00644 -0.00141 0.00000
142 15G 0 -0.00005 0.00000 -0.00002 -0.00003 0.00000
143 15G+1 0.00000 -0.00002 0.00000 0.00000 0.00000
144 15G-1 0.00003 0.00000 -0.00015 0.00004 0.00000
145 15G+2 -0.00004 0.00000 0.00004 0.00002 0.00000
146 15G-2 0.00000 0.00013 0.00000 0.00000 0.00026
147 15G+3 0.00000 0.00002 0.00000 0.00000 0.00012
148 15G-3 0.00012 0.00000 -0.00051 0.00015 0.00000
149 15G+4 0.00014 0.00000 -0.00044 0.00031 0.00000
150 15G-4 0.00000 0.00025 0.00000 0.00000 0.00040
151 3 H 1S 0.00591 -0.01023 -0.00537 -0.00171 0.00296
152 2S 0.02284 -0.03956 -0.06913 0.04161 -0.07207
153 3S -0.05166 0.08947 0.40502 -0.26995 0.46757
154 4S 0.25060 -0.43406 -0.40180 0.66694 -1.15517
155 5S 1.03283 -1.78892 -0.46920 -1.16915 2.02502
156 6PX 0.00111 -0.00116 -0.00087 -0.00109 0.00211
157 6PY 0.00012 0.00111 0.00050 0.00086 -0.00109
158 6PZ -0.00057 0.00098 -0.00100 0.00022 -0.00037
159 7PX -0.00501 0.00923 0.00831 -0.00061 -0.00299
160 7PY 0.00344 -0.00501 -0.00480 -0.00370 -0.00061
161 7PZ 0.00263 -0.00455 0.00198 0.00113 -0.00197
162 8PX 0.04477 -0.06675 -0.10573 0.03065 -0.04450
163 8PY -0.01505 0.04477 0.06104 -0.00911 0.03065
164 8PZ -0.01977 0.03424 0.01203 -0.01443 0.02499
165 9PX -0.01533 0.11273 -0.03049 0.03189 0.06312
166 9PY 0.09503 -0.01533 0.01760 0.09994 0.03189
167 9PZ -0.00854 0.01478 -0.03412 -0.02961 0.05129
168 10D 0 -0.00041 0.00071 0.00069 -0.00081 0.00141
169 10D+1 0.00002 0.00039 0.00162 -0.00027 0.00109
170 10D-1 0.00041 0.00002 -0.00094 0.00078 -0.00027
171 10D+2 -0.00040 -0.00114 -0.00073 0.00012 -0.00186
172 10D-2 -0.00114 0.00092 0.00126 -0.00186 0.00227
173 11D 0 0.00238 -0.00412 -0.00433 0.00477 -0.00826
174 11D+1 0.00062 -0.00253 -0.00930 0.00189 -0.00648
175 11D-1 -0.00182 0.00062 0.00537 -0.00430 0.00189
176 11D+2 0.00112 0.00567 0.00495 -0.00056 0.01047
177 11D-2 0.00567 -0.00543 -0.00857 0.01047 -0.01265
178 12D 0 -0.00342 0.00593 -0.00140 -0.01057 0.01832
179 12D+1 0.00879 -0.01043 0.02506 0.00801 -0.00143
180 12D-1 -0.00028 0.00879 -0.01447 0.00782 0.00801
181 12D+2 -0.01190 -0.00540 -0.00244 -0.01827 -0.02200
182 12D-2 -0.00540 -0.00567 0.00423 -0.02200 0.00714
183 13F 0 0.00037 -0.00064 -0.00057 0.00065 -0.00112
184 13F+1 -0.00021 0.00020 0.00101 -0.00040 0.00041
185 13F-1 -0.00004 -0.00021 -0.00058 -0.00006 -0.00040
186 13F+2 -0.00022 0.00007 0.00078 -0.00007 0.00033
187 13F-2 0.00007 -0.00030 -0.00136 0.00033 -0.00045
188 13F+3 0.00029 0.00016 0.00000 0.00006 0.00004
189 13F-3 -0.00031 0.00054 0.00130 -0.00059 0.00103
190 14F 0 -0.00089 0.00155 0.00296 -0.00210 0.00363
191 14F+1 0.00066 -0.00060 -0.00407 0.00124 -0.00138
192 14F-1 0.00017 0.00066 0.00235 0.00005 0.00124
193 14F+2 0.00054 0.00080 -0.00411 -0.00012 -0.00020
194 14F-2 0.00080 -0.00039 0.00711 -0.00020 0.00011
195 14F+3 -0.00090 -0.00052 0.00000 0.00097 0.00056
196 14F-3 -0.00003 0.00005 -0.00644 0.00071 -0.00122
197 15G 0 0.00002 -0.00004 -0.00002 0.00002 -0.00003
198 15G+1 -0.00002 0.00002 -0.00013 -0.00002 0.00003
199 15G-1 -0.00001 -0.00002 0.00008 0.00001 -0.00002
200 15G+2 0.00009 0.00007 -0.00002 0.00020 0.00010
201 15G-2 0.00007 0.00000 0.00004 0.00010 0.00008
202 15G+3 -0.00001 -0.00001 0.00000 -0.00010 -0.00006
203 15G-3 -0.00006 0.00010 -0.00051 -0.00008 0.00013
204 15G+4 -0.00016 -0.00017 0.00022 -0.00022 -0.00031
205 15G-4 0.00017 -0.00004 0.00038 0.00031 -0.00013
206 4 H 1S 0.00591 0.01023 -0.00537 -0.00171 -0.00296
207 2S 0.02284 0.03956 -0.06913 0.04161 0.07207
208 3S -0.05166 -0.08947 0.40502 -0.26995 -0.46757
209 4S 0.25060 0.43406 -0.40180 0.66694 1.15517
210 5S 1.03283 1.78892 -0.46920 -1.16915 -2.02502
211 6PX -0.00111 -0.00116 0.00087 0.00109 0.00211
212 6PY 0.00012 -0.00111 0.00050 0.00086 0.00109
213 6PZ -0.00057 -0.00098 -0.00100 0.00022 0.00037
214 7PX 0.00501 0.00923 -0.00831 0.00061 -0.00299
215 7PY 0.00344 0.00501 -0.00480 -0.00370 0.00061
216 7PZ 0.00263 0.00455 0.00198 0.00113 0.00197
217 8PX -0.04477 -0.06675 0.10573 -0.03065 -0.04450
218 8PY -0.01505 -0.04477 0.06104 -0.00911 -0.03065
219 8PZ -0.01977 -0.03424 0.01203 -0.01443 -0.02499
220 9PX 0.01533 0.11273 0.03049 -0.03189 0.06312
221 9PY 0.09503 0.01533 0.01760 0.09994 -0.03189
222 9PZ -0.00854 -0.01478 -0.03412 -0.02961 -0.05129
223 10D 0 -0.00041 -0.00071 0.00069 -0.00081 -0.00141
224 10D+1 -0.00002 0.00039 -0.00162 0.00027 0.00109
225 10D-1 0.00041 -0.00002 -0.00094 0.00078 0.00027
226 10D+2 -0.00040 0.00114 -0.00073 0.00012 0.00186
227 10D-2 0.00114 0.00092 -0.00126 0.00186 0.00227
228 11D 0 0.00238 0.00412 -0.00433 0.00477 0.00826
229 11D+1 -0.00062 -0.00253 0.00930 -0.00189 -0.00648
230 11D-1 -0.00182 -0.00062 0.00537 -0.00430 -0.00189
231 11D+2 0.00112 -0.00567 0.00495 -0.00056 -0.01047
232 11D-2 -0.00567 -0.00543 0.00857 -0.01047 -0.01265
233 12D 0 -0.00342 -0.00593 -0.00140 -0.01057 -0.01832
234 12D+1 -0.00879 -0.01043 -0.02506 -0.00801 -0.00143
235 12D-1 -0.00028 -0.00879 -0.01447 0.00782 -0.00801
236 12D+2 -0.01190 0.00540 -0.00244 -0.01827 0.02200
237 12D-2 0.00540 -0.00567 -0.00423 0.02200 0.00714
238 13F 0 0.00037 0.00064 -0.00057 0.00065 0.00112
239 13F+1 0.00021 0.00020 -0.00101 0.00040 0.00041
240 13F-1 -0.00004 0.00021 -0.00058 -0.00006 0.00040
241 13F+2 -0.00022 -0.00007 0.00078 -0.00007 -0.00033
242 13F-2 -0.00007 -0.00030 0.00136 -0.00033 -0.00045
243 13F+3 -0.00029 0.00016 0.00000 -0.00006 0.00004
244 13F-3 -0.00031 -0.00054 0.00130 -0.00059 -0.00103
245 14F 0 -0.00089 -0.00155 0.00296 -0.00210 -0.00363
246 14F+1 -0.00066 -0.00060 0.00407 -0.00124 -0.00138
247 14F-1 0.00017 -0.00066 0.00235 0.00005 -0.00124
248 14F+2 0.00054 -0.00080 -0.00411 -0.00012 0.00020
249 14F-2 -0.00080 -0.00039 -0.00711 0.00020 0.00011
250 14F+3 0.00090 -0.00052 0.00000 -0.00097 0.00056
251 14F-3 -0.00003 -0.00005 -0.00644 0.00071 0.00122
252 15G 0 0.00002 0.00004 -0.00002 0.00002 0.00003
253 15G+1 0.00002 0.00002 0.00013 0.00002 0.00003
254 15G-1 -0.00001 0.00002 0.00008 0.00001 0.00002
255 15G+2 0.00009 -0.00007 -0.00002 0.00020 -0.00010
256 15G-2 -0.00007 0.00000 -0.00004 -0.00010 0.00008
257 15G+3 0.00001 -0.00001 0.00000 0.00010 -0.00006
258 15G-3 -0.00006 -0.00010 -0.00051 -0.00008 -0.00013
259 15G+4 -0.00016 0.00017 0.00022 -0.00022 0.00031
260 15G-4 -0.00017 -0.00004 -0.00038 -0.00031 -0.00013
16 17 18 19 20
(A1)--V (E)--V (E)--V (E)--V (E)--V
Eigenvalues -- 0.20507 0.26137 0.26137 0.29994 0.29994
1 1 Si 1S -0.00602 0.00000 0.00000 0.00000 0.00000
2 2S 0.00076 0.00000 0.00000 0.00000 0.00000
3 3S -0.05175 0.00000 0.00000 0.00000 0.00000
4 4S -0.11457 0.00000 0.00000 0.00000 0.00000
5 5S -0.02136 0.00000 0.00000 0.00000 0.00000
6 6S 0.93340 0.00000 0.00000 0.00000 0.00000
7 7S 5.61059 0.00000 0.00000 0.00000 0.00000
8 8PX 0.00000 -0.00088 0.00000 0.00000 -0.04796
9 8PY 0.00000 0.00000 -0.00088 -0.04796 0.00000
10 8PZ 0.05054 0.00000 0.00000 0.00000 0.00000
11 9PX 0.00000 0.00176 0.00000 0.00000 0.05014
12 9PY 0.00000 0.00000 0.00176 0.05014 0.00000
13 9PZ -0.07103 0.00000 0.00000 0.00000 0.00000
14 10PX 0.00000 0.00551 0.00000 0.00000 0.01638
15 10PY 0.00000 0.00000 0.00551 0.01638 0.00000
16 10PZ -0.04857 0.00000 0.00000 0.00000 0.00000
17 11PX 0.00000 -0.02458 0.00000 0.00000 0.04980
18 11PY 0.00000 0.00000 -0.02458 0.04980 0.00000
19 11PZ -0.05945 0.00000 0.00000 0.00000 0.00000
20 12PX 0.00000 -0.30560 0.00000 0.00000 -2.29161
21 12PY 0.00000 0.00000 -0.30560 -2.29161 0.00000
22 12PZ -2.01329 0.00000 0.00000 0.00000 0.00000
23 13PX 0.00000 -0.26624 0.00000 0.00000 -3.30779
24 13PY 0.00000 0.00000 -0.26624 -3.30779 0.00000
25 13PZ 0.26615 0.00000 0.00000 0.00000 0.00000
26 14D 0 -0.21940 0.00000 0.00000 0.00000 0.00000
27 14D+1 0.00000 -0.82458 0.00000 0.00000 1.52094
28 14D-1 0.00000 0.00000 -0.82458 1.52094 0.00000
29 14D+2 0.00000 0.00000 0.91384 2.27188 0.00000
30 14D-2 0.00000 0.91384 0.00000 0.00000 2.27188
31 15D 0 -0.04335 0.00000 0.00000 0.00000 0.00000
32 15D+1 0.00000 0.03064 0.00000 0.00000 0.12168
33 15D-1 0.00000 0.00000 0.03064 0.12168 0.00000
34 15D+2 0.00000 0.00000 0.03887 0.17197 0.00000
35 15D-2 0.00000 0.03887 0.00000 0.00000 0.17197
36 16D 0 0.02656 0.00000 0.00000 0.00000 0.00000
37 16D+1 0.00000 -0.07621 0.00000 0.00000 0.03947
38 16D-1 0.00000 0.00000 -0.07621 0.03947 0.00000
39 16D+2 0.00000 0.00000 0.04975 0.05097 0.00000
40 16D-2 0.00000 0.04975 0.00000 0.00000 0.05097
41 17D 0 0.00719 0.00000 0.00000 0.00000 0.00000
42 17D+1 0.00000 -0.00615 0.00000 0.00000 0.00940
43 17D-1 0.00000 0.00000 -0.00615 0.00940 0.00000
44 17D+2 0.00000 0.00000 0.00545 0.01330 0.00000
45 17D-2 0.00000 0.00545 0.00000 0.00000 0.01330
46 18F 0 0.23236 0.00000 0.00000 0.00000 0.00000
47 18F+1 0.00000 0.12062 0.00000 0.00000 0.14856
48 18F-1 0.00000 0.00000 0.12062 0.14856 0.00000
49 18F+2 0.00000 0.00000 -0.02946 -0.51228 0.00000
50 18F-2 0.00000 -0.02946 0.00000 0.00000 -0.51228
51 18F+3 0.00000 0.00000 0.00000 0.00000 0.00000
52 18F-3 -0.37734 0.00000 0.00000 0.00000 0.00000
53 19F 0 0.02169 0.00000 0.00000 0.00000 0.00000
54 19F+1 0.00000 0.02231 0.00000 0.00000 -0.03811
55 19F-1 0.00000 0.00000 0.02231 -0.03811 0.00000
56 19F+2 0.00000 0.00000 0.01969 0.03712 0.00000
57 19F-2 0.00000 0.01969 0.00000 0.00000 0.03712
58 19F+3 0.00000 0.00000 0.00000 0.00000 0.00000
59 19F-3 0.08347 0.00000 0.00000 0.00000 0.00000
60 20F 0 0.01029 0.00000 0.00000 0.00000 0.00000
61 20F+1 0.00000 -0.00059 0.00000 0.00000 0.00926
62 20F-1 0.00000 0.00000 -0.00059 0.00926 0.00000
63 20F+2 0.00000 0.00000 -0.00520 -0.01562 0.00000
64 20F-2 0.00000 -0.00520 0.00000 0.00000 -0.01562
65 20F+3 0.00000 0.00000 0.00000 0.00000 0.00000
66 20F-3 -0.02994 0.00000 0.00000 0.00000 0.00000
67 21G 0 -0.05037 0.00000 0.00000 0.00000 0.00000
68 21G+1 0.00000 0.01515 0.00000 0.00000 -0.03989
69 21G-1 0.00000 0.00000 0.01515 -0.03989 0.00000
70 21G+2 0.00000 0.00000 -0.06178 0.01454 0.00000
71 21G-2 0.00000 -0.06178 0.00000 0.00000 0.01454
72 21G+3 0.00000 0.00000 0.00000 0.00000 0.00000
73 21G-3 0.05195 0.00000 0.00000 0.00000 0.00000
74 21G+4 0.00000 0.00000 0.01685 0.01071 0.00000
75 21G-4 0.00000 -0.01685 0.00000 0.00000 -0.01071
76 22G 0 -0.00471 0.00000 0.00000 0.00000 0.00000
77 22G+1 0.00000 -0.00413 0.00000 0.00000 0.01494
78 22G-1 0.00000 0.00000 -0.00413 0.01494 0.00000
79 22G+2 0.00000 0.00000 0.00952 0.00200 0.00000
80 22G-2 0.00000 0.00952 0.00000 0.00000 0.00200
81 22G+3 0.00000 0.00000 0.00000 0.00000 0.00000
82 22G-3 -0.00403 0.00000 0.00000 0.00000 0.00000
83 22G+4 0.00000 0.00000 -0.00478 0.00681 0.00000
84 22G-4 0.00000 0.00478 0.00000 0.00000 -0.00681
85 23H 0 0.00704 0.00000 0.00000 0.00000 0.00000
86 23H+1 0.00000 -0.00653 0.00000 0.00000 0.00399
87 23H-1 0.00000 0.00000 -0.00653 0.00399 0.00000
88 23H+2 0.00000 0.00000 0.00164 -0.00420 0.00000
89 23H-2 0.00000 0.00164 0.00000 0.00000 -0.00420
90 23H+3 0.00000 0.00000 0.00000 0.00000 0.00000
91 23H-3 -0.02157 0.00000 0.00000 0.00000 0.00000
92 23H+4 0.00000 0.00000 -0.00387 -0.00766 0.00000
93 23H-4 0.00000 0.00387 0.00000 0.00000 0.00766
94 23H+5 0.00000 0.00463 0.00000 0.00000 -0.00763
95 23H-5 0.00000 0.00000 -0.00463 0.00763 0.00000
96 2 H 1S -0.00705 0.00000 -0.00043 -0.01368 0.00000
97 2S -0.01411 0.00000 -0.00721 -0.06840 0.00000
98 3S 0.03776 0.00000 0.00004 -0.10562 0.00000
99 4S -1.67591 0.00000 0.41085 2.70019 0.00000
100 5S -1.27439 0.00000 0.30276 4.06469 0.00000
101 6PX 0.00000 0.00103 0.00000 0.00000 0.00084
102 6PY -0.00024 0.00000 0.00013 0.00489 0.00000
103 6PZ 0.00199 0.00000 -0.00030 -0.00182 0.00000
104 7PX 0.00000 0.00142 0.00000 0.00000 0.00113
105 7PY -0.00098 0.00000 -0.00222 -0.02526 0.00000
106 7PZ -0.01350 0.00000 -0.00535 0.01201 0.00000
107 8PX 0.00000 0.02133 0.00000 0.00000 0.02116
108 8PY -0.02856 0.00000 0.00021 0.13419 0.00000
109 8PZ 0.04697 0.00000 -0.00706 -0.04655 0.00000
110 9PX 0.00000 -0.12893 0.00000 0.00000 -0.14991
111 9PY 0.52128 0.00000 -0.05960 -1.01382 0.00000
112 9PZ -0.12236 0.00000 0.19754 0.21219 0.00000
113 10D 0 0.00163 0.00000 0.00217 -0.00124 0.00000
114 10D+1 0.00000 -0.00019 0.00000 0.00000 -0.00056
115 10D-1 -0.00062 0.00000 -0.00284 -0.00014 0.00000
116 10D+2 0.00208 0.00000 0.00099 -0.00237 0.00000
117 10D-2 0.00000 0.00324 0.00000 0.00000 0.00170
118 11D 0 -0.00887 0.00000 -0.00991 0.00767 0.00000
119 11D+1 0.00000 0.00078 0.00000 0.00000 0.00323
120 11D-1 0.00238 0.00000 0.01306 0.00226 0.00000
121 11D+2 -0.01237 0.00000 -0.00412 0.01410 0.00000
122 11D-2 0.00000 -0.01441 0.00000 0.00000 -0.00879
123 12D 0 0.05234 0.00000 0.02537 -0.03543 0.00000
124 12D+1 0.00000 -0.00992 0.00000 0.00000 -0.00340
125 12D-1 -0.01561 0.00000 -0.05200 -0.00500 0.00000
126 12D+2 0.06954 0.00000 0.00917 -0.04736 0.00000
127 12D-2 0.00000 0.03587 0.00000 0.00000 0.02072
128 13F 0 -0.00042 0.00000 0.00006 0.00145 0.00000
129 13F+1 0.00000 0.00020 0.00000 0.00000 0.00022
130 13F-1 0.00087 0.00000 -0.00085 -0.00058 0.00000
131 13F+2 -0.00098 0.00000 -0.00057 0.00089 0.00000
132 13F-2 0.00000 0.00002 0.00000 0.00000 0.00025
133 13F+3 0.00000 0.00116 0.00000 0.00000 0.00035
134 13F-3 0.00114 0.00000 -0.00028 -0.00126 0.00000
135 14F 0 0.00195 0.00000 -0.00115 -0.00591 0.00000
136 14F+1 0.00000 -0.00126 0.00000 0.00000 -0.00091
137 14F-1 -0.00733 0.00000 0.00411 0.00327 0.00000
138 14F+2 0.00393 0.00000 0.00162 -0.00285 0.00000
139 14F-2 0.00000 0.00067 0.00000 0.00000 -0.00163
140 14F+3 0.00000 -0.00584 0.00000 0.00000 -0.00151
141 14F-3 -0.00829 0.00000 0.00155 0.00423 0.00000
142 15G 0 -0.00003 0.00000 0.00007 0.00009 0.00000
143 15G+1 0.00000 0.00002 0.00000 0.00000 0.00003
144 15G-1 -0.00025 0.00000 0.00009 0.00001 0.00000
145 15G+2 -0.00018 0.00000 0.00018 0.00006 0.00000
146 15G-2 0.00000 0.00000 0.00000 0.00000 -0.00006
147 15G+3 0.00000 0.00002 0.00000 0.00000 0.00001
148 15G-3 -0.00017 0.00000 -0.00001 -0.00002 0.00000
149 15G+4 -0.00043 0.00000 0.00008 -0.00008 0.00000
150 15G-4 0.00000 0.00015 0.00000 0.00000 -0.00023
151 3 H 1S -0.00705 -0.00037 0.00022 0.00684 -0.01185
152 2S -0.01411 -0.00625 0.00361 0.03420 -0.05923
153 3S 0.03776 0.00004 -0.00002 0.05281 -0.09147
154 4S -1.67591 0.35580 -0.20542 -1.35010 2.33843
155 5S -1.27439 0.26220 -0.15138 -2.03235 3.52013
156 6PX -0.00021 0.00036 0.00039 -0.00176 0.00388
157 6PY 0.00012 0.00039 0.00081 0.00185 -0.00176
158 6PZ 0.00199 -0.00026 0.00015 0.00091 -0.00157
159 7PX -0.00085 -0.00131 0.00158 0.01143 -0.01866
160 7PY 0.00049 0.00158 0.00051 -0.00547 0.01143
161 7PZ -0.01350 -0.00463 0.00267 -0.00600 0.01040
162 8PX -0.02473 0.00549 0.00915 -0.04894 0.10593
163 8PY 0.01428 0.00915 0.01605 0.04942 -0.04894
164 8PZ 0.04697 -0.00612 0.00353 0.02327 -0.04031
165 9PX 0.45144 -0.07693 -0.03002 0.37408 -0.79784
166 9PY -0.26064 -0.03002 -0.11160 -0.36589 0.37408
167 9PZ -0.12236 0.17107 -0.09877 -0.10610 0.18377
168 10D 0 0.00163 0.00188 -0.00109 0.00062 -0.00108
169 10D+1 -0.00054 -0.00218 0.00115 -0.00018 -0.00025
170 10D-1 0.00031 0.00115 -0.00085 -0.00046 -0.00018
171 10D+2 -0.00104 0.00098 0.00268 0.00068 0.00176
172 10D-2 0.00180 0.00155 0.00098 0.00176 -0.00135
173 11D 0 -0.00887 -0.00858 0.00496 -0.00384 0.00665
174 11D+1 0.00206 0.00999 -0.00532 0.00042 0.00250
175 11D-1 -0.00119 -0.00532 0.00385 0.00299 0.00042
176 11D+2 0.00618 -0.00445 -0.01184 -0.00307 -0.00991
177 11D-2 -0.01071 -0.00670 -0.00445 -0.00991 0.00838
178 12D 0 0.05234 0.02197 -0.01269 0.01771 -0.03068
179 12D+1 -0.01352 -0.04148 0.01822 0.00070 -0.00460
180 12D-1 0.00781 0.01822 -0.02044 -0.00380 0.00070
181 12D+2 -0.03477 0.01156 0.02919 0.00370 0.02948
182 12D-2 0.06023 0.01584 0.01156 0.02948 -0.03034
183 13F 0 -0.00042 0.00005 -0.00003 -0.00073 0.00126
184 13F+1 0.00075 -0.00059 0.00046 0.00035 -0.00038
185 13F-1 -0.00043 0.00046 -0.00006 0.00002 0.00035
186 13F+2 0.00049 0.00025 -0.00013 0.00041 -0.00028
187 13F-2 -0.00085 -0.00042 0.00025 -0.00028 0.00073
188 13F+3 0.00000 -0.00058 -0.00100 -0.00030 -0.00018
189 13F-3 0.00114 -0.00024 0.00014 0.00063 -0.00110
190 14F 0 0.00195 -0.00100 0.00058 0.00295 -0.00512
191 14F+1 -0.00635 0.00277 -0.00233 -0.00181 0.00223
192 14F-1 0.00366 -0.00233 0.00008 0.00014 -0.00181
193 14F+2 -0.00196 -0.00041 0.00091 -0.00193 0.00053
194 14F-2 0.00340 0.00138 -0.00041 0.00053 -0.00254
195 14F+3 0.00000 0.00292 0.00506 0.00131 0.00076
196 14F-3 -0.00829 0.00134 -0.00077 -0.00211 0.00366
197 15G 0 -0.00003 0.00006 -0.00004 -0.00004 0.00008
198 15G+1 -0.00021 0.00007 -0.00003 0.00001 0.00002
199 15G-1 0.00012 -0.00003 0.00004 0.00003 0.00001
200 15G+2 0.00009 -0.00008 0.00005 -0.00003 -0.00005
201 15G-2 -0.00016 0.00013 -0.00008 -0.00005 0.00003
202 15G+3 0.00000 -0.00001 -0.00002 -0.00001 0.00000
203 15G-3 -0.00017 -0.00001 0.00000 0.00001 -0.00002
204 15G+4 0.00021 -0.00010 -0.00009 0.00016 0.00013
205 15G-4 0.00037 -0.00002 0.00010 -0.00013 0.00000
206 4 H 1S -0.00705 0.00037 0.00022 0.00684 0.01185
207 2S -0.01411 0.00625 0.00361 0.03420 0.05923
208 3S 0.03776 -0.00004 -0.00002 0.05281 0.09147
209 4S -1.67591 -0.35580 -0.20542 -1.35010 -2.33843
210 5S -1.27439 -0.26220 -0.15138 -2.03235 -3.52013
211 6PX 0.00021 0.00036 -0.00039 0.00176 0.00388
212 6PY 0.00012 -0.00039 0.00081 0.00185 0.00176
213 6PZ 0.00199 0.00026 0.00015 0.00091 0.00157
214 7PX 0.00085 -0.00131 -0.00158 -0.01143 -0.01866
215 7PY 0.00049 -0.00158 0.00051 -0.00547 -0.01143
216 7PZ -0.01350 0.00463 0.00267 -0.00600 -0.01040
217 8PX 0.02473 0.00549 -0.00915 0.04894 0.10593
218 8PY 0.01428 -0.00915 0.01605 0.04942 0.04894
219 8PZ 0.04697 0.00612 0.00353 0.02327 0.04031
220 9PX -0.45144 -0.07693 0.03002 -0.37408 -0.79784
221 9PY -0.26064 0.03002 -0.11160 -0.36589 -0.37408
222 9PZ -0.12236 -0.17107 -0.09877 -0.10610 -0.18377
223 10D 0 0.00163 -0.00188 -0.00109 0.00062 0.00108
224 10D+1 0.00054 -0.00218 -0.00115 0.00018 -0.00025
225 10D-1 0.00031 -0.00115 -0.00085 -0.00046 0.00018
226 10D+2 -0.00104 -0.00098 0.00268 0.00068 -0.00176
227 10D-2 -0.00180 0.00155 -0.00098 -0.00176 -0.00135
228 11D 0 -0.00887 0.00858 0.00496 -0.00384 -0.00665
229 11D+1 -0.00206 0.00999 0.00532 -0.00042 0.00250
230 11D-1 -0.00119 0.00532 0.00385 0.00299 -0.00042
231 11D+2 0.00618 0.00445 -0.01184 -0.00307 0.00991
232 11D-2 0.01071 -0.00670 0.00445 0.00991 0.00838
233 12D 0 0.05234 -0.02197 -0.01269 0.01771 0.03068
234 12D+1 0.01352 -0.04148 -0.01822 -0.00070 -0.00460
235 12D-1 0.00781 -0.01822 -0.02044 -0.00380 -0.00070
236 12D+2 -0.03477 -0.01156 0.02919 0.00370 -0.02948
237 12D-2 -0.06023 0.01584 -0.01156 -0.02948 -0.03034
238 13F 0 -0.00042 -0.00005 -0.00003 -0.00073 -0.00126
239 13F+1 -0.00075 -0.00059 -0.00046 -0.00035 -0.00038
240 13F-1 -0.00043 -0.00046 -0.00006 0.00002 -0.00035
241 13F+2 0.00049 -0.00025 -0.00013 0.00041 0.00028
242 13F-2 0.00085 -0.00042 -0.00025 0.00028 0.00073
243 13F+3 0.00000 -0.00058 0.00100 0.00030 -0.00018
244 13F-3 0.00114 0.00024 0.00014 0.00063 0.00110
245 14F 0 0.00195 0.00100 0.00058 0.00295 0.00512
246 14F+1 0.00635 0.00277 0.00233 0.00181 0.00223
247 14F-1 0.00366 0.00233 0.00008 0.00014 0.00181
248 14F+2 -0.00196 0.00041 0.00091 -0.00193 -0.00053
249 14F-2 -0.00340 0.00138 0.00041 -0.00053 -0.00254
250 14F+3 0.00000 0.00292 -0.00506 -0.00131 0.00076
251 14F-3 -0.00829 -0.00134 -0.00077 -0.00211 -0.00366
252 15G 0 -0.00003 -0.00006 -0.00004 -0.00004 -0.00008
253 15G+1 0.00021 0.00007 0.00003 -0.00001 0.00002
254 15G-1 0.00012 0.00003 0.00004 0.00003 -0.00001
255 15G+2 0.00009 0.00008 0.00005 -0.00003 0.00005
256 15G-2 0.00016 0.00013 0.00008 0.00005 0.00003
257 15G+3 0.00000 -0.00001 0.00002 0.00001 0.00000
258 15G-3 -0.00017 0.00001 0.00000 0.00001 0.00002
259 15G+4 0.00021 0.00010 -0.00009 0.00016 -0.00013
260 15G-4 -0.00037 -0.00002 -0.00010 0.00013 0.00000
21 22 23 24 25
(A1)--V (A1)--V (E)--V (E)--V (A2)--V
Eigenvalues -- 0.32281 0.36949 0.45573 0.45573 0.55273
1 1 Si 1S -0.02284 0.03658 0.00000 0.00000 0.00000
2 2S 0.03155 -0.05289 0.00000 0.00000 0.00000
3 3S -0.11154 0.16477 0.00000 0.00000 0.00000
4 4S 0.01439 -0.05176 0.00000 0.00000 0.00000
5 5S -1.05836 -2.86610 0.00000 0.00000 0.00000
6 6S 3.47324 12.91971 0.00000 0.00000 0.00000
7 7S 11.85516 0.32319 0.00000 0.00000 0.00000
8 8PX 0.00000 0.00000 0.06044 0.00000 0.00000
9 8PY 0.00000 0.00000 0.00000 0.06044 0.00000
10 8PZ -0.01429 0.03178 0.00000 0.00000 0.00000
11 9PX 0.00000 0.00000 0.00302 0.00000 0.00000
12 9PY 0.00000 0.00000 0.00000 0.00302 0.00000
13 9PZ 0.02423 0.00616 0.00000 0.00000 0.00000
14 10PX 0.00000 0.00000 0.26787 0.00000 0.00000
15 10PY 0.00000 0.00000 0.00000 0.26787 0.00000
16 10PZ 0.03747 0.11404 0.00000 0.00000 0.00000
17 11PX 0.00000 0.00000 -1.23790 0.00000 0.00000
18 11PY 0.00000 0.00000 0.00000 -1.23790 0.00000
19 11PZ -0.11605 -0.40572 0.00000 0.00000 0.00000
20 12PX 0.00000 0.00000 -11.96652 0.00000 0.00000
21 12PY 0.00000 0.00000 0.00000 -11.96652 0.00000
22 12PZ -1.87303 -3.41480 0.00000 0.00000 0.00000
23 13PX 0.00000 0.00000 -0.92577 0.00000 0.00000
24 13PY 0.00000 0.00000 0.00000 -0.92577 0.00000
25 13PZ -1.69615 0.33458 0.00000 0.00000 0.00000
26 14D 0 -2.27659 -2.20851 0.00000 0.00000 0.00000
27 14D+1 0.00000 0.00000 3.53546 0.00000 0.00000
28 14D-1 0.00000 0.00000 0.00000 3.53546 0.00000
29 14D+2 0.00000 0.00000 0.00000 5.71774 0.00000
30 14D-2 0.00000 0.00000 5.71774 0.00000 0.00000
31 15D 0 -0.31885 -0.82990 0.00000 0.00000 0.00000
32 15D+1 0.00000 0.00000 0.98900 0.00000 0.00000
33 15D-1 0.00000 0.00000 0.00000 0.98900 0.00000
34 15D+2 0.00000 0.00000 0.00000 1.58767 0.00000
35 15D-2 0.00000 0.00000 1.58767 0.00000 0.00000
36 16D 0 -0.04059 0.08731 0.00000 0.00000 0.00000
37 16D+1 0.00000 0.00000 -0.05746 0.00000 0.00000
38 16D-1 0.00000 0.00000 0.00000 -0.05746 0.00000
39 16D+2 0.00000 0.00000 0.00000 -0.09525 0.00000
40 16D-2 0.00000 0.00000 -0.09525 0.00000 0.00000
41 17D 0 -0.01347 -0.01171 0.00000 0.00000 0.00000
42 17D+1 0.00000 0.00000 0.00249 0.00000 0.00000
43 17D-1 0.00000 0.00000 0.00000 0.00249 0.00000
44 17D+2 0.00000 0.00000 0.00000 0.00302 0.00000
45 17D-2 0.00000 0.00000 0.00302 0.00000 0.00000
46 18F 0 0.45883 0.46999 0.00000 0.00000 0.00000
47 18F+1 0.00000 0.00000 0.31152 0.00000 0.00000
48 18F-1 0.00000 0.00000 0.00000 0.31152 0.00000
49 18F+2 0.00000 0.00000 0.00000 -1.04854 0.00000
50 18F-2 0.00000 0.00000 -1.04854 0.00000 0.00000
51 18F+3 0.00000 0.00000 0.00000 0.00000 -0.55205
52 18F-3 -0.95521 -0.95070 0.00000 0.00000 0.00000
53 19F 0 0.03478 0.32409 0.00000 0.00000 0.00000
54 19F+1 0.00000 0.00000 0.15964 0.00000 0.00000
55 19F-1 0.00000 0.00000 0.00000 0.15964 0.00000
56 19F+2 0.00000 0.00000 0.00000 -0.38495 0.00000
57 19F-2 0.00000 0.00000 -0.38495 0.00000 0.00000
58 19F+3 0.00000 0.00000 0.00000 0.00000 0.87428
59 19F-3 -0.07272 -0.63565 0.00000 0.00000 0.00000
60 20F 0 0.01124 -0.01129 0.00000 0.00000 0.00000
61 20F+1 0.00000 0.00000 0.01274 0.00000 0.00000
62 20F-1 0.00000 0.00000 0.00000 0.01274 0.00000
63 20F+2 0.00000 0.00000 0.00000 -0.02524 0.00000
64 20F-2 0.00000 0.00000 -0.02524 0.00000 0.00000
65 20F+3 0.00000 0.00000 0.00000 0.00000 -0.13730
66 20F-3 -0.02440 0.01669 0.00000 0.00000 0.00000
67 21G 0 0.05089 0.07569 0.00000 0.00000 0.00000
68 21G+1 0.00000 0.00000 -0.17169 0.00000 0.00000
69 21G-1 0.00000 0.00000 0.00000 -0.17169 0.00000
70 21G+2 0.00000 0.00000 0.00000 -0.02062 0.00000
71 21G-2 0.00000 0.00000 -0.02062 0.00000 0.00000
72 21G+3 0.00000 0.00000 0.00000 0.00000 -0.25704
73 21G-3 0.08048 0.22193 0.00000 0.00000 0.00000
74 21G+4 0.00000 0.00000 0.00000 -0.06817 0.00000
75 21G-4 0.00000 0.00000 0.06817 0.00000 0.00000
76 22G 0 -0.00796 0.00574 0.00000 0.00000 0.00000
77 22G+1 0.00000 0.00000 -0.02092 0.00000 0.00000
78 22G-1 0.00000 0.00000 0.00000 -0.02092 0.00000
79 22G+2 0.00000 0.00000 0.00000 -0.01081 0.00000
80 22G-2 0.00000 0.00000 -0.01081 0.00000 0.00000
81 22G+3 0.00000 0.00000 0.00000 0.00000 -0.02647
82 22G-3 -0.01236 0.02082 0.00000 0.00000 0.00000
83 22G+4 0.00000 0.00000 0.00000 -0.03298 0.00000
84 22G-4 0.00000 0.00000 0.03298 0.00000 0.00000
85 23H 0 -0.00084 -0.03002 0.00000 0.00000 0.00000
86 23H+1 0.00000 0.00000 0.01201 0.00000 0.00000
87 23H-1 0.00000 0.00000 0.00000 0.01201 0.00000
88 23H+2 0.00000 0.00000 0.00000 0.02664 0.00000
89 23H-2 0.00000 0.00000 0.02664 0.00000 0.00000
90 23H+3 0.00000 0.00000 0.00000 0.00000 0.00447
91 23H-3 0.00682 0.02069 0.00000 0.00000 0.00000
92 23H+4 0.00000 0.00000 0.00000 0.01289 0.00000
93 23H-4 0.00000 0.00000 -0.01289 0.00000 0.00000
94 23H+5 0.00000 0.00000 0.03319 0.00000 0.00000
95 23H-5 0.00000 0.00000 0.00000 -0.03319 0.00000
96 2 H 1S 0.00388 -0.01779 0.00000 0.01360 0.00000
97 2S 0.05239 0.00760 0.00000 -0.03371 0.00000
98 3S -0.04949 -0.45211 0.00000 0.08820 0.00000
99 4S -3.28054 -5.89707 0.00000 14.21144 0.00000
100 5S -3.32121 0.91844 0.00000 0.17868 0.00000
101 6PX 0.00000 0.00000 0.00278 0.00000 0.00049
102 6PY -0.00235 0.00645 0.00000 -0.00880 0.00000
103 6PZ 0.00108 -0.00207 0.00000 0.00322 0.00000
104 7PX 0.00000 0.00000 -0.01493 0.00000 0.00486
105 7PY 0.01345 -0.04520 0.00000 0.06275 0.00000
106 7PZ -0.00208 0.01483 0.00000 -0.02274 0.00000
107 8PX 0.00000 0.00000 0.04897 0.00000 0.03629
108 8PY -0.04947 0.25071 0.00000 -0.30956 0.00000
109 8PZ 0.02305 -0.08084 0.00000 0.10676 0.00000
110 9PX 0.00000 0.00000 -0.55333 0.00000 0.73450
111 9PY 1.11364 1.41882 0.00000 -3.49468 0.00000
112 9PZ -0.45810 -0.61086 0.00000 0.83585 0.00000
113 10D 0 0.00041 0.00023 0.00000 -0.00080 0.00000
114 10D+1 0.00000 0.00000 -0.00083 0.00000 0.00045
115 10D-1 0.00222 0.00126 0.00000 0.00001 0.00000
116 10D+2 0.00160 0.00143 0.00000 -0.00254 0.00000
117 10D-2 0.00000 0.00000 0.00083 0.00000 -0.00129
118 11D 0 -0.00302 -0.00152 0.00000 0.00760 0.00000
119 11D+1 0.00000 0.00000 0.00506 0.00000 -0.00336
120 11D-1 -0.01223 -0.00688 0.00000 0.00411 0.00000
121 11D+2 -0.00926 -0.00692 0.00000 0.01911 0.00000
122 11D-2 0.00000 0.00000 -0.00412 0.00000 0.01585
123 12D 0 0.02632 0.05224 0.00000 -0.20693 0.00000
124 12D+1 0.00000 0.00000 -0.03024 0.00000 0.05558
125 12D-1 0.06989 0.14252 0.00000 -0.21422 0.00000
126 12D+2 0.07502 0.15662 0.00000 -0.40639 0.00000
127 12D-2 0.00000 0.00000 0.07521 0.00000 -0.24053
128 13F 0 -0.00058 -0.00036 0.00000 0.00310 0.00000
129 13F+1 0.00000 0.00000 0.00010 0.00000 0.00186
130 13F-1 0.00079 -0.00118 0.00000 -0.00261 0.00000
131 13F+2 -0.00104 -0.00039 0.00000 0.00208 0.00000
132 13F-2 0.00000 0.00000 -0.00144 0.00000 0.00349
133 13F+3 0.00000 0.00000 -0.00225 0.00000 0.00800
134 13F-3 0.00119 -0.00058 0.00000 -0.00419 0.00000
135 14F 0 0.00437 0.00831 0.00000 -0.02773 0.00000
136 14F+1 0.00000 0.00000 -0.00034 0.00000 -0.01157
137 14F-1 -0.00378 0.00516 0.00000 0.02544 0.00000
138 14F+2 0.00683 0.01024 0.00000 -0.02843 0.00000
139 14F-2 0.00000 0.00000 0.01111 0.00000 -0.02210
140 14F+3 0.00000 0.00000 0.01644 0.00000 -0.05163
141 14F-3 -0.00740 -0.00276 0.00000 0.04442 0.00000
142 15G 0 0.00008 0.00016 0.00000 0.00026 0.00000
143 15G+1 0.00000 0.00000 0.00006 0.00000 -0.00015
144 15G-1 -0.00030 -0.00068 0.00000 0.00125 0.00000
145 15G+2 -0.00001 0.00003 0.00000 0.00038 0.00000
146 15G-2 0.00000 0.00000 0.00039 0.00000 0.00023
147 15G+3 0.00000 0.00000 0.00045 0.00000 0.00004
148 15G-3 -0.00018 -0.00019 0.00000 0.00161 0.00000
149 15G+4 -0.00023 0.00012 0.00000 0.00160 0.00000
150 15G-4 0.00000 0.00000 -0.00009 0.00000 0.00045
151 3 H 1S 0.00388 -0.01779 0.01177 -0.00680 0.00000
152 2S 0.05239 0.00760 -0.02919 0.01685 0.00000
153 3S -0.04949 -0.45211 0.07639 -0.04410 0.00000
154 4S -3.28054 -5.89707 12.30747 -7.10572 0.00000
155 5S -3.32121 0.91844 0.15474 -0.08934 0.00000
156 6PX -0.00203 0.00558 -0.00591 0.00501 -0.00024
157 6PY 0.00117 -0.00322 0.00501 -0.00012 -0.00042
158 6PZ 0.00108 -0.00207 0.00279 -0.00161 0.00000
159 7PX 0.01165 -0.03915 0.04333 -0.03364 -0.00243
160 7PY -0.00673 0.02260 -0.03364 0.00449 -0.00421
161 7PZ -0.00208 0.01483 -0.01970 0.01137 0.00000
162 8PX -0.04284 0.21712 -0.21993 0.15525 -0.01815
163 8PY 0.02474 -0.12536 0.15525 -0.04066 -0.03143
164 8PZ 0.02305 -0.08084 0.09246 -0.05338 0.00000
165 9PX 0.96444 1.22873 -2.75935 1.27364 -0.36725
166 9PY -0.55682 -0.70941 1.27364 -1.28867 -0.63610
167 9PZ -0.45810 -0.61086 0.72386 -0.41792 0.00000
168 10D 0 0.00041 0.00023 -0.00069 0.00040 0.00000
169 10D+1 0.00193 0.00109 -0.00020 -0.00036 -0.00023
170 10D-1 -0.00111 -0.00063 -0.00036 -0.00062 -0.00039
171 10D+2 -0.00080 -0.00072 0.00146 -0.00001 0.00112
172 10D-2 0.00138 0.00124 -0.00170 0.00146 0.00064
173 11D 0 -0.00302 -0.00152 0.00658 -0.00380 0.00000
174 11D+1 -0.01059 -0.00596 0.00435 0.00041 0.00168
175 11D-1 0.00612 0.00344 0.00041 0.00482 0.00291
176 11D+2 0.00463 0.00346 -0.01006 0.00169 -0.01373
177 11D-2 -0.00802 -0.00600 0.01330 -0.01006 -0.00793
178 12D 0 0.02632 0.05224 -0.17921 0.10347 0.00000
179 12D+1 0.06053 0.12342 -0.16822 0.07967 -0.02779
180 12D-1 -0.03495 -0.07126 0.07967 -0.07623 -0.04813
181 12D+2 -0.03751 -0.07831 0.20854 -0.04519 0.20830
182 12D-2 0.06497 0.13564 -0.28599 0.20854 0.12026
183 13F 0 -0.00058 -0.00036 0.00269 -0.00155 0.00000
184 13F+1 0.00068 -0.00102 -0.00193 0.00117 -0.00093
185 13F-1 -0.00039 0.00059 0.00117 -0.00058 -0.00161
186 13F+2 0.00052 0.00019 -0.00153 -0.00056 -0.00302
187 13F-2 -0.00090 -0.00034 0.00120 -0.00153 -0.00174
188 13F+3 0.00000 0.00000 0.00113 0.00195 0.00800
189 13F-3 0.00119 -0.00058 -0.00363 0.00209 0.00000
190 14F 0 0.00437 0.00831 -0.02401 0.01386 0.00000
191 14F+1 -0.00328 0.00447 0.01899 -0.01117 0.00579
192 14F-1 0.00189 -0.00258 -0.01117 0.00610 0.01002
193 14F+2 -0.00342 -0.00512 0.01712 0.00123 0.01914
194 14F-2 0.00592 0.00887 -0.01855 0.01712 0.01105
195 14F+3 0.00000 0.00000 -0.00822 -0.01424 -0.05163
196 14F-3 -0.00740 -0.00276 0.03847 -0.02221 0.00000
197 15G 0 0.00008 0.00016 0.00022 -0.00013 0.00000
198 15G+1 -0.00026 -0.00059 0.00095 -0.00051 0.00008
199 15G-1 0.00015 0.00034 -0.00051 0.00036 0.00013
200 15G+2 0.00000 -0.00001 0.00000 0.00039 -0.00020
201 15G-2 -0.00001 0.00002 0.00038 0.00000 -0.00012
202 15G+3 0.00000 0.00000 -0.00022 -0.00039 0.00004
203 15G-3 -0.00018 -0.00019 0.00139 -0.00081 0.00000
204 15G+4 0.00012 -0.00006 -0.00066 0.00047 0.00039
205 15G-4 0.00020 -0.00010 -0.00122 0.00066 -0.00023
206 4 H 1S 0.00388 -0.01779 -0.01177 -0.00680 0.00000
207 2S 0.05239 0.00760 0.02919 0.01685 0.00000
208 3S -0.04949 -0.45211 -0.07639 -0.04410 0.00000
209 4S -3.28054 -5.89707 -12.30747 -7.10572 0.00000
210 5S -3.32121 0.91844 -0.15474 -0.08934 0.00000
211 6PX 0.00203 -0.00558 -0.00591 -0.00501 -0.00024
212 6PY 0.00117 -0.00322 -0.00501 -0.00012 0.00042
213 6PZ 0.00108 -0.00207 -0.00279 -0.00161 0.00000
214 7PX -0.01165 0.03915 0.04333 0.03364 -0.00243
215 7PY -0.00673 0.02260 0.03364 0.00449 0.00421
216 7PZ -0.00208 0.01483 0.01970 0.01137 0.00000
217 8PX 0.04284 -0.21712 -0.21993 -0.15525 -0.01815
218 8PY 0.02474 -0.12536 -0.15525 -0.04066 0.03143
219 8PZ 0.02305 -0.08084 -0.09246 -0.05338 0.00000
220 9PX -0.96444 -1.22873 -2.75935 -1.27364 -0.36725
221 9PY -0.55682 -0.70941 -1.27364 -1.28867 0.63610
222 9PZ -0.45810 -0.61086 -0.72386 -0.41792 0.00000
223 10D 0 0.00041 0.00023 0.00069 0.00040 0.00000
224 10D+1 -0.00193 -0.00109 -0.00020 0.00036 -0.00023
225 10D-1 -0.00111 -0.00063 0.00036 -0.00062 0.00039
226 10D+2 -0.00080 -0.00072 -0.00146 -0.00001 -0.00112
227 10D-2 -0.00138 -0.00124 -0.00170 -0.00146 0.00064
228 11D 0 -0.00302 -0.00152 -0.00658 -0.00380 0.00000
229 11D+1 0.01059 0.00596 0.00435 -0.00041 0.00168
230 11D-1 0.00612 0.00344 -0.00041 0.00482 -0.00291
231 11D+2 0.00463 0.00346 0.01006 0.00169 0.01373
232 11D-2 0.00802 0.00600 0.01330 0.01006 -0.00793
233 12D 0 0.02632 0.05224 0.17921 0.10347 0.00000
234 12D+1 -0.06053 -0.12342 -0.16822 -0.07967 -0.02779
235 12D-1 -0.03495 -0.07126 -0.07967 -0.07623 0.04813
236 12D+2 -0.03751 -0.07831 -0.20854 -0.04519 -0.20830
237 12D-2 -0.06497 -0.13564 -0.28599 -0.20854 0.12026
238 13F 0 -0.00058 -0.00036 -0.00269 -0.00155 0.00000
239 13F+1 -0.00068 0.00102 -0.00193 -0.00117 -0.00093
240 13F-1 -0.00039 0.00059 -0.00117 -0.00058 0.00161
241 13F+2 0.00052 0.00019 0.00153 -0.00056 0.00302
242 13F-2 0.00090 0.00034 0.00120 0.00153 -0.00174
243 13F+3 0.00000 0.00000 0.00113 -0.00195 0.00800
244 13F-3 0.00119 -0.00058 0.00363 0.00209 0.00000
245 14F 0 0.00437 0.00831 0.02401 0.01386 0.00000
246 14F+1 0.00328 -0.00447 0.01899 0.01117 0.00579
247 14F-1 0.00189 -0.00258 0.01117 0.00610 -0.01002
248 14F+2 -0.00342 -0.00512 -0.01712 0.00123 -0.01914
249 14F-2 -0.00592 -0.00887 -0.01855 -0.01712 0.01105
250 14F+3 0.00000 0.00000 -0.00822 0.01424 -0.05163
251 14F-3 -0.00740 -0.00276 -0.03847 -0.02221 0.00000
252 15G 0 0.00008 0.00016 -0.00022 -0.00013 0.00000
253 15G+1 0.00026 0.00059 0.00095 0.00051 0.00008
254 15G-1 0.00015 0.00034 0.00051 0.00036 -0.00013
255 15G+2 0.00000 -0.00001 0.00000 0.00039 0.00020
256 15G-2 0.00001 -0.00002 0.00038 0.00000 -0.00012
257 15G+3 0.00000 0.00000 -0.00022 0.00039 0.00004
258 15G-3 -0.00018 -0.00019 -0.00139 -0.00081 0.00000
259 15G+4 0.00012 -0.00006 0.00066 0.00047 -0.00039
260 15G-4 -0.00020 0.00010 -0.00122 -0.00066 -0.00023
26 27 28 29 30
(E)--V (E)--V (A1)--V (E)--V (E)--V
Eigenvalues -- 0.56693 0.56693 0.58856 0.65030 0.65030
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2 2S 0.00000 0.00000 0.00351 0.00000 0.00000
3 3S 0.00000 0.00000 -0.01803 0.00000 0.00000
4 4S 0.00000 0.00000 0.01230 0.00000 0.00000
5 5S 0.00000 0.00000 -0.36566 0.00000 0.00000
6 6S 0.00000 0.00000 1.17668 0.00000 0.00000
7 7S 0.00000 0.00000 0.20024 0.00000 0.00000
8 8PX 0.00000 -0.01110 0.00000 0.00000 0.07112
9 8PY -0.01110 0.00000 0.00000 0.07112 0.00000
10 8PZ 0.00000 0.00000 -0.00843 0.00000 0.00000
11 9PX 0.00000 0.00505 0.00000 0.00000 -0.13641
12 9PY 0.00505 0.00000 0.00000 -0.13641 0.00000
13 9PZ 0.00000 0.00000 -0.00576 0.00000 0.00000
14 10PX 0.00000 -0.02208 0.00000 0.00000 -0.25303
15 10PY -0.02208 0.00000 0.00000 -0.25303 0.00000
16 10PZ 0.00000 0.00000 -0.04219 0.00000 0.00000
17 11PX 0.00000 0.09384 0.00000 0.00000 0.32932
18 11PY 0.09384 0.00000 0.00000 0.32932 0.00000
19 11PZ 0.00000 0.00000 0.09283 0.00000 0.00000
20 12PX 0.00000 0.75249 0.00000 0.00000 0.83950
21 12PY 0.75249 0.00000 0.00000 0.83950 0.00000
22 12PZ 0.00000 0.00000 0.18195 0.00000 0.00000
23 13PX 0.00000 -0.01146 0.00000 0.00000 -0.46223
24 13PY -0.01146 0.00000 0.00000 -0.46223 0.00000
25 13PZ 0.00000 0.00000 -0.00765 0.00000 0.00000
26 14D 0 0.00000 0.00000 -0.38051 0.00000 0.00000
27 14D+1 0.00000 0.23350 0.00000 0.00000 0.55821
28 14D-1 0.23350 0.00000 0.00000 0.55821 0.00000
29 14D+2 -0.23326 0.00000 0.00000 0.48680 0.00000
30 14D-2 0.00000 -0.23326 0.00000 0.00000 0.48680
31 15D 0 0.00000 0.00000 -0.24492 0.00000 0.00000
32 15D+1 0.00000 0.25578 0.00000 0.00000 -0.48583
33 15D-1 0.25578 0.00000 0.00000 -0.48583 0.00000
34 15D+2 0.05085 0.00000 0.00000 -1.01443 0.00000
35 15D-2 0.00000 0.05085 0.00000 0.00000 -1.01443
36 16D 0 0.00000 0.00000 0.04234 0.00000 0.00000
37 16D+1 0.00000 -0.04315 0.00000 0.00000 0.06550
38 16D-1 -0.04315 0.00000 0.00000 0.06550 0.00000
39 16D+2 -0.01572 0.00000 0.00000 0.14217 0.00000
40 16D-2 0.00000 -0.01572 0.00000 0.00000 0.14217
41 17D 0 0.00000 0.00000 -0.00151 0.00000 0.00000
42 17D+1 0.00000 0.00329 0.00000 0.00000 0.00034
43 17D-1 0.00329 0.00000 0.00000 0.00034 0.00000
44 17D+2 0.00342 0.00000 0.00000 -0.00002 0.00000
45 17D-2 0.00000 0.00342 0.00000 0.00000 -0.00002
46 18F 0 0.00000 0.00000 1.01038 0.00000 0.00000
47 18F+1 0.00000 0.73597 0.00000 0.00000 0.61297
48 18F-1 0.73597 0.00000 0.00000 0.61297 0.00000
49 18F+2 0.46970 0.00000 0.00000 -0.93991 0.00000
50 18F-2 0.00000 0.46970 0.00000 0.00000 -0.93991
51 18F+3 0.00000 0.00000 0.00000 0.00000 0.00000
52 18F-3 0.00000 0.00000 0.56286 0.00000 0.00000
53 19F 0 0.00000 0.00000 -0.43222 0.00000 0.00000
54 19F+1 0.00000 -0.58165 0.00000 0.00000 -0.44219
55 19F-1 -0.58165 0.00000 0.00000 -0.44219 0.00000
56 19F+2 -0.45933 0.00000 0.00000 0.63660 0.00000
57 19F-2 0.00000 -0.45933 0.00000 0.00000 0.63660
58 19F+3 0.00000 0.00000 0.00000 0.00000 0.00000
59 19F-3 0.00000 0.00000 -0.43522 0.00000 0.00000
60 20F 0 0.00000 0.00000 0.11886 0.00000 0.00000
61 20F+1 0.00000 0.11421 0.00000 0.00000 0.06798
62 20F-1 0.11421 0.00000 0.00000 0.06798 0.00000
63 20F+2 0.07786 0.00000 0.00000 -0.07690 0.00000
64 20F-2 0.00000 0.07786 0.00000 0.00000 -0.07690
65 20F+3 0.00000 0.00000 0.00000 0.00000 0.00000
66 20F-3 0.00000 0.00000 0.08841 0.00000 0.00000
67 21G 0 0.00000 0.00000 0.10182 0.00000 0.00000
68 21G+1 0.00000 -0.03362 0.00000 0.00000 0.07170
69 21G-1 -0.03362 0.00000 0.00000 0.07170 0.00000
70 21G+2 0.12819 0.00000 0.00000 0.08770 0.00000
71 21G-2 0.00000 0.12819 0.00000 0.00000 0.08770
72 21G+3 0.00000 0.00000 0.00000 0.00000 0.00000
73 21G-3 0.00000 0.00000 -0.03675 0.00000 0.00000
74 21G+4 0.10231 0.00000 0.00000 0.08592 0.00000
75 21G-4 0.00000 -0.10231 0.00000 0.00000 -0.08592
76 22G 0 0.00000 0.00000 0.02490 0.00000 0.00000
77 22G+1 0.00000 -0.00526 0.00000 0.00000 0.04607
78 22G-1 -0.00526 0.00000 0.00000 0.04607 0.00000
79 22G+2 0.02464 0.00000 0.00000 0.01726 0.00000
80 22G-2 0.00000 0.02464 0.00000 0.00000 0.01726
81 22G+3 0.00000 0.00000 0.00000 0.00000 0.00000
82 22G-3 0.00000 0.00000 -0.01242 0.00000 0.00000
83 22G+4 0.01777 0.00000 0.00000 0.03494 0.00000
84 22G-4 0.00000 -0.01777 0.00000 0.00000 -0.03494
85 23H 0 0.00000 0.00000 -0.00963 0.00000 0.00000
86 23H+1 0.00000 0.04873 0.00000 0.00000 0.00432
87 23H-1 0.04873 0.00000 0.00000 0.00432 0.00000
88 23H+2 0.01049 0.00000 0.00000 -0.04952 0.00000
89 23H-2 0.00000 0.01049 0.00000 0.00000 -0.04952
90 23H+3 0.00000 0.00000 0.00000 0.00000 0.00000
91 23H-3 0.00000 0.00000 0.04596 0.00000 0.00000
92 23H+4 0.00517 0.00000 0.00000 -0.03060 0.00000
93 23H-4 0.00000 -0.00517 0.00000 0.00000 0.03060
94 23H+5 0.00000 0.00349 0.00000 0.00000 -0.07342
95 23H-5 -0.00349 0.00000 0.00000 0.07342 0.00000
96 2 H 1S 0.00012 0.00000 -0.00084 -0.01963 0.00000
97 2S -0.02087 0.00000 0.01596 0.19740 0.00000
98 3S 0.10630 0.00000 -0.10429 -1.34133 0.00000
99 4S -0.63193 0.00000 -0.30340 1.45221 0.00000
100 5S 0.14790 0.00000 -0.09932 -1.09158 0.00000
101 6PX 0.00000 0.00004 0.00000 0.00000 -0.00140
102 6PY 0.00023 0.00000 0.00041 0.00211 0.00000
103 6PZ 0.00074 0.00000 0.00065 -0.00164 0.00000
104 7PX 0.00000 -0.00301 0.00000 0.00000 0.00927
105 7PY -0.00402 0.00000 -0.00282 -0.01438 0.00000
106 7PZ -0.01004 0.00000 -0.00599 0.01013 0.00000
107 8PX 0.00000 -0.01316 0.00000 0.00000 -0.00451
108 8PY -0.03185 0.00000 0.02637 0.34583 0.00000
109 8PZ -0.01339 0.00000 -0.01799 -0.13381 0.00000
110 9PX 0.00000 -0.23911 0.00000 0.00000 0.20468
111 9PY -0.15237 0.00000 0.06837 0.92737 0.00000
112 9PZ -0.72722 0.00000 -0.38541 -0.46680 0.00000
113 10D 0 -0.00037 0.00000 0.00211 -0.00341 0.00000
114 10D+1 0.00000 0.00017 0.00000 0.00000 0.00090
115 10D-1 0.00019 0.00000 0.00000 -0.00284 0.00000
116 10D+2 0.00080 0.00000 -0.00075 -0.00542 0.00000
117 10D-2 0.00000 -0.00024 0.00000 0.00000 0.00238
118 11D 0 0.00666 0.00000 -0.00777 0.01973 0.00000
119 11D+1 0.00000 0.00046 0.00000 0.00000 -0.00656
120 11D-1 -0.00988 0.00000 -0.00368 0.01698 0.00000
121 11D+2 -0.00317 0.00000 0.00644 0.03167 0.00000
122 11D-2 0.00000 -0.00309 0.00000 0.00000 -0.00805
123 12D 0 -0.13590 0.00000 -0.03729 0.03440 0.00000
124 12D+1 0.00000 -0.02247 0.00000 0.00000 0.05411
125 12D-1 0.21189 0.00000 0.11324 0.13971 0.00000
126 12D+2 -0.05750 0.00000 -0.03478 0.14243 0.00000
127 12D-2 0.00000 0.08587 0.00000 0.00000 -0.07002
128 13F 0 -0.00340 0.00000 -0.00085 0.00087 0.00000
129 13F+1 0.00000 0.00012 0.00000 0.00000 0.00101
130 13F-1 -0.00702 0.00000 -0.00420 -0.00042 0.00000
131 13F+2 -0.00596 0.00000 -0.00240 -0.00011 0.00000
132 13F-2 0.00000 -0.00133 0.00000 0.00000 0.00223
133 13F+3 0.00000 -0.00374 0.00000 0.00000 0.00413
134 13F-3 -0.00210 0.00000 -0.00124 -0.00118 0.00000
135 14F 0 0.02390 0.00000 0.00720 0.00894 0.00000
136 14F+1 0.00000 0.00045 0.00000 0.00000 -0.00555
137 14F-1 0.04917 0.00000 0.03108 -0.00325 0.00000
138 14F+2 0.04068 0.00000 0.01828 0.01931 0.00000
139 14F-2 0.00000 0.00985 0.00000 0.00000 -0.01703
140 14F+3 0.00000 0.02316 0.00000 0.00000 -0.02935
141 14F-3 0.01520 0.00000 0.00841 -0.01459 0.00000
142 15G 0 0.00092 0.00000 0.00075 0.00022 0.00000
143 15G+1 0.00000 0.00016 0.00000 0.00000 0.00002
144 15G-1 -0.00070 0.00000 0.00021 -0.00089 0.00000
145 15G+2 0.00086 0.00000 0.00101 0.00020 0.00000
146 15G-2 0.00000 0.00010 0.00000 0.00000 -0.00031
147 15G+3 0.00000 0.00034 0.00000 0.00000 -0.00051
148 15G-3 -0.00065 0.00000 -0.00035 -0.00142 0.00000
149 15G+4 0.00000 0.00000 0.00023 -0.00113 0.00000
150 15G-4 0.00000 -0.00013 0.00000 0.00000 -0.00002
151 3 H 1S -0.00006 0.00010 -0.00084 0.00981 -0.01700
152 2S 0.01043 -0.01807 0.01596 -0.09870 0.17095
153 3S -0.05315 0.09206 -0.10429 0.67067 -1.16163
154 4S 0.31597 -0.54727 -0.30340 -0.72610 1.25765
155 5S -0.07395 0.12809 -0.09932 0.54579 -0.94534
156 6PX -0.00008 0.00018 0.00035 -0.00152 0.00123
157 6PY 0.00009 -0.00008 -0.00020 -0.00052 -0.00152
158 6PZ -0.00037 0.00064 0.00065 0.00082 -0.00142
159 7PX 0.00044 -0.00377 -0.00244 0.01024 -0.00847
160 7PY -0.00326 0.00044 0.00141 0.00336 0.01024
161 7PZ 0.00502 -0.00869 -0.00599 -0.00507 0.00878
162 8PX 0.00809 -0.02718 0.02284 -0.15170 0.25824
163 8PY -0.01783 0.00809 -0.01318 0.08307 -0.15170
164 8PZ 0.00670 -0.01160 -0.01799 0.06690 -0.11588
165 9PX -0.03756 -0.17405 0.05921 -0.31294 0.74670
166 9PY -0.21742 -0.03756 -0.03419 0.38535 -0.31294
167 9PZ 0.36361 -0.62979 -0.38541 0.23340 -0.40426
168 10D 0 0.00019 -0.00032 0.00211 0.00171 -0.00296
169 10D+1 -0.00001 0.00019 0.00000 0.00162 -0.00190
170 10D-1 0.00017 -0.00001 0.00000 -0.00003 0.00162
171 10D+2 0.00002 -0.00045 0.00037 0.00043 0.00338
172 10D-2 -0.00045 0.00054 -0.00065 0.00338 -0.00347
173 11D 0 -0.00333 0.00576 -0.00777 -0.00986 0.01708
174 11D+1 0.00448 -0.00729 -0.00319 -0.01019 0.01109
175 11D-1 -0.00212 0.00448 0.00184 -0.00068 -0.01019
176 11D+2 -0.00311 0.00004 -0.00322 0.00188 -0.01720
177 11D-2 0.00004 -0.00315 0.00557 -0.01720 0.02174
178 12D 0 0.06795 -0.11769 -0.03729 -0.01720 0.02979
179 12D+1 -0.10148 0.15330 0.09807 -0.03707 0.11831
180 12D-1 0.03612 -0.10148 -0.05662 0.07551 -0.03707
181 12D+2 0.05003 0.06208 0.01739 -0.01691 -0.09200
182 12D-2 0.06208 -0.02166 -0.03012 -0.09200 0.08932
183 13F 0 0.00170 -0.00294 -0.00085 -0.00044 0.00076
184 13F+1 0.00309 -0.00523 -0.00364 0.00062 -0.00006
185 13F-1 -0.00167 0.00309 0.00210 0.00065 0.00062
186 13F+2 -0.00249 0.00200 0.00120 0.00164 0.00101
187 13F-2 0.00200 -0.00480 -0.00208 0.00101 0.00048
188 13F+3 0.00324 0.00187 0.00000 -0.00358 -0.00207
189 13F-3 0.00105 -0.00182 -0.00124 0.00059 -0.00102
190 14F 0 -0.01195 0.02070 0.00720 -0.00447 0.00774
191 14F+1 -0.02110 0.03699 0.02692 -0.00100 -0.00382
192 14F-1 0.01263 -0.02110 -0.01554 -0.00497 -0.00100
193 14F+2 0.01756 -0.01335 -0.00914 -0.00794 -0.01573
194 14F-2 -0.01335 0.03298 0.01583 -0.01573 0.01022
195 14F+3 -0.02005 -0.01158 0.00000 0.02542 0.01468
196 14F-3 -0.00760 0.01317 0.00841 0.00730 -0.01264
197 15G 0 -0.00046 0.00080 0.00075 -0.00011 0.00019
198 15G+1 0.00037 -0.00048 0.00018 0.00039 -0.00066
199 15G-1 -0.00005 0.00037 -0.00010 -0.00021 0.00039
200 15G+2 0.00029 -0.00033 -0.00050 -0.00018 -0.00022
201 15G-2 -0.00033 0.00067 0.00087 -0.00022 0.00007
202 15G+3 -0.00030 -0.00017 0.00000 0.00044 0.00026
203 15G-3 0.00032 -0.00056 -0.00035 0.00071 -0.00123
204 15G+4 0.00010 0.00006 -0.00012 -0.00027 0.00050
205 15G-4 -0.00006 -0.00003 -0.00020 -0.00050 0.00084
206 4 H 1S -0.00006 -0.00010 -0.00084 0.00981 0.01700
207 2S 0.01043 0.01807 0.01596 -0.09870 -0.17095
208 3S -0.05315 -0.09206 -0.10429 0.67067 1.16163
209 4S 0.31597 0.54727 -0.30340 -0.72610 -1.25765
210 5S -0.07395 -0.12809 -0.09932 0.54579 0.94534
211 6PX 0.00008 0.00018 -0.00035 0.00152 0.00123
212 6PY 0.00009 0.00008 -0.00020 -0.00052 0.00152
213 6PZ -0.00037 -0.00064 0.00065 0.00082 0.00142
214 7PX -0.00044 -0.00377 0.00244 -0.01024 -0.00847
215 7PY -0.00326 -0.00044 0.00141 0.00336 -0.01024
216 7PZ 0.00502 0.00869 -0.00599 -0.00507 -0.00878
217 8PX -0.00809 -0.02718 -0.02284 0.15170 0.25824
218 8PY -0.01783 -0.00809 -0.01318 0.08307 0.15170
219 8PZ 0.00670 0.01160 -0.01799 0.06690 0.11588
220 9PX 0.03756 -0.17405 -0.05921 0.31294 0.74670
221 9PY -0.21742 0.03756 -0.03419 0.38535 0.31294
222 9PZ 0.36361 0.62979 -0.38541 0.23340 0.40426
223 10D 0 0.00019 0.00032 0.00211 0.00171 0.00296
224 10D+1 0.00001 0.00019 0.00000 -0.00162 -0.00190
225 10D-1 0.00017 0.00001 0.00000 -0.00003 -0.00162
226 10D+2 0.00002 0.00045 0.00037 0.00043 -0.00338
227 10D-2 0.00045 0.00054 0.00065 -0.00338 -0.00347
228 11D 0 -0.00333 -0.00576 -0.00777 -0.00986 -0.01708
229 11D+1 -0.00448 -0.00729 0.00319 0.01019 0.01109
230 11D-1 -0.00212 -0.00448 0.00184 -0.00068 0.01019
231 11D+2 -0.00311 -0.00004 -0.00322 0.00188 0.01720
232 11D-2 -0.00004 -0.00315 -0.00557 0.01720 0.02174
233 12D 0 0.06795 0.11769 -0.03729 -0.01720 -0.02979
234 12D+1 0.10148 0.15330 -0.09807 0.03707 0.11831
235 12D-1 0.03612 0.10148 -0.05662 0.07551 0.03707
236 12D+2 0.05003 -0.06208 0.01739 -0.01691 0.09200
237 12D-2 -0.06208 -0.02166 0.03012 0.09200 0.08932
238 13F 0 0.00170 0.00294 -0.00085 -0.00044 -0.00076
239 13F+1 -0.00309 -0.00523 0.00364 -0.00062 -0.00006
240 13F-1 -0.00167 -0.00309 0.00210 0.00065 -0.00062
241 13F+2 -0.00249 -0.00200 0.00120 0.00164 -0.00101
242 13F-2 -0.00200 -0.00480 0.00208 -0.00101 0.00048
243 13F+3 -0.00324 0.00187 0.00000 0.00358 -0.00207
244 13F-3 0.00105 0.00182 -0.00124 0.00059 0.00102
245 14F 0 -0.01195 -0.02070 0.00720 -0.00447 -0.00774
246 14F+1 0.02110 0.03699 -0.02692 0.00100 -0.00382
247 14F-1 0.01263 0.02110 -0.01554 -0.00497 0.00100
248 14F+2 0.01756 0.01335 -0.00914 -0.00794 0.01573
249 14F-2 0.01335 0.03298 -0.01583 0.01573 0.01022
250 14F+3 0.02005 -0.01158 0.00000 -0.02542 0.01468
251 14F-3 -0.00760 -0.01317 0.00841 0.00730 0.01264
252 15G 0 -0.00046 -0.00080 0.00075 -0.00011 -0.00019
253 15G+1 -0.00037 -0.00048 -0.00018 -0.00039 -0.00066
254 15G-1 -0.00005 -0.00037 -0.00010 -0.00021 -0.00039
255 15G+2 0.00029 0.00033 -0.00050 -0.00018 0.00022
256 15G-2 0.00033 0.00067 -0.00087 0.00022 0.00007
257 15G+3 0.00030 -0.00017 0.00000 -0.00044 0.00026
258 15G-3 0.00032 0.00056 -0.00035 0.00071 0.00123
259 15G+4 0.00010 -0.00006 -0.00012 -0.00027 -0.00050
260 15G-4 0.00006 -0.00003 0.00020 0.00050 0.00084
31 32 33 34 35
(A1)--V (A1)--V (E)--V (E)--V (E)--V
Eigenvalues -- 0.66105 0.71751 0.74513 0.74513 0.77149
1 1 Si 1S 0.02499 -0.00111 0.00000 0.00000 0.00000
2 2S -0.02462 -0.00304 0.00000 0.00000 0.00000
3 3S 0.14271 -0.01527 0.00000 0.00000 0.00000
4 4S -0.03329 0.11677 0.00000 0.00000 0.00000
5 5S -0.53104 -6.29522 0.00000 0.00000 0.00000
6 6S 5.02035 23.83043 0.00000 0.00000 0.00000
7 7S 5.28170 6.08675 0.00000 0.00000 0.00000
8 8PX 0.00000 0.00000 0.02297 0.00000 0.00077
9 8PY 0.00000 0.00000 0.00000 0.02297 0.00000
10 8PZ 0.01549 -0.08154 0.00000 0.00000 0.00000
11 9PX 0.00000 0.00000 -0.08397 0.00000 0.00101
12 9PY 0.00000 0.00000 0.00000 -0.08397 0.00000
13 9PZ -0.01960 0.11828 0.00000 0.00000 0.00000
14 10PX 0.00000 0.00000 -0.24788 0.00000 0.01438
15 10PY 0.00000 0.00000 0.00000 -0.24788 0.00000
16 10PZ 0.00002 0.15850 0.00000 0.00000 0.00000
17 11PX 0.00000 0.00000 0.17018 0.00000 -0.05684
18 11PY 0.00000 0.00000 0.00000 0.17018 0.00000
19 11PZ -0.19832 0.24831 0.00000 0.00000 0.00000
20 12PX 0.00000 0.00000 13.95909 0.00000 -2.72866
21 12PY 0.00000 0.00000 0.00000 13.95909 0.00000
22 12PZ -2.37160 -7.46607 0.00000 0.00000 0.00000
23 13PX 0.00000 0.00000 1.33708 0.00000 -0.53711
24 13PY 0.00000 0.00000 0.00000 1.33708 0.00000
25 13PZ -0.65389 0.16312 0.00000 0.00000 0.00000
26 14D 0 -1.38924 -3.66626 0.00000 0.00000 0.00000
27 14D+1 0.00000 0.00000 -3.78402 0.00000 -0.89045
28 14D-1 0.00000 0.00000 0.00000 -3.78402 0.00000
29 14D+2 0.00000 0.00000 0.00000 -4.82332 0.00000
30 14D-2 0.00000 0.00000 -4.82332 0.00000 2.93536
31 15D 0 -0.24554 -1.26183 0.00000 0.00000 0.00000
32 15D+1 0.00000 0.00000 -0.78035 0.00000 0.43827
33 15D-1 0.00000 0.00000 0.00000 -0.78035 0.00000
34 15D+2 0.00000 0.00000 0.00000 -0.85715 0.00000
35 15D-2 0.00000 0.00000 -0.85715 0.00000 0.01292
36 16D 0 -0.02697 0.25211 0.00000 0.00000 0.00000
37 16D+1 0.00000 0.00000 0.13478 0.00000 0.01843
38 16D-1 0.00000 0.00000 0.00000 0.13478 0.00000
39 16D+2 0.00000 0.00000 0.00000 0.12249 0.00000
40 16D-2 0.00000 0.00000 0.12249 0.00000 -0.05788
41 17D 0 -0.01529 0.00829 0.00000 0.00000 0.00000
42 17D+1 0.00000 0.00000 0.01447 0.00000 0.05332
43 17D-1 0.00000 0.00000 0.00000 0.01447 0.00000
44 17D+2 0.00000 0.00000 0.00000 0.01169 0.00000
45 17D-2 0.00000 0.00000 0.01169 0.00000 -0.04236
46 18F 0 1.32526 1.12459 0.00000 0.00000 0.00000
47 18F+1 0.00000 0.00000 -1.23171 0.00000 1.18194
48 18F-1 0.00000 0.00000 0.00000 -1.23171 0.00000
49 18F+2 0.00000 0.00000 0.00000 1.66182 0.00000
50 18F-2 0.00000 0.00000 1.66182 0.00000 -0.16186
51 18F+3 0.00000 0.00000 0.00000 0.00000 0.00000
52 18F-3 -1.96506 -2.50907 0.00000 0.00000 0.00000
53 19F 0 -0.35111 0.83728 0.00000 0.00000 0.00000
54 19F+1 0.00000 0.00000 -0.11313 0.00000 0.07215
55 19F-1 0.00000 0.00000 0.00000 -0.11313 0.00000
56 19F+2 0.00000 0.00000 0.00000 -0.07470 0.00000
57 19F-2 0.00000 0.00000 -0.07470 0.00000 0.10575
58 19F+3 0.00000 0.00000 0.00000 0.00000 0.00000
59 19F-3 0.60243 -1.23717 0.00000 0.00000 0.00000
60 20F 0 0.11200 -0.05207 0.00000 0.00000 0.00000
61 20F+1 0.00000 0.00000 -0.04344 0.00000 0.03110
62 20F-1 0.00000 0.00000 0.00000 -0.04344 0.00000
63 20F+2 0.00000 0.00000 0.00000 0.08482 0.00000
64 20F-2 0.00000 0.00000 0.08482 0.00000 -0.02620
65 20F+3 0.00000 0.00000 0.00000 0.00000 0.00000
66 20F-3 -0.16991 0.03495 0.00000 0.00000 0.00000
67 21G 0 -0.05336 0.03789 0.00000 0.00000 0.00000
68 21G+1 0.00000 0.00000 0.29585 0.00000 0.05378
69 21G-1 0.00000 0.00000 0.00000 0.29585 0.00000
70 21G+2 0.00000 0.00000 0.00000 0.05412 0.00000
71 21G-2 0.00000 0.00000 0.05412 0.00000 -0.31833
72 21G+3 0.00000 0.00000 0.00000 0.00000 0.00000
73 21G-3 0.02771 0.61883 0.00000 0.00000 0.00000
74 21G+4 0.00000 0.00000 0.00000 0.56722 0.00000
75 21G-4 0.00000 0.00000 -0.56722 0.00000 -0.02591
76 22G 0 -0.00582 0.00274 0.00000 0.00000 0.00000
77 22G+1 0.00000 0.00000 0.01352 0.00000 -0.00148
78 22G-1 0.00000 0.00000 0.00000 0.01352 0.00000
79 22G+2 0.00000 0.00000 0.00000 0.00103 0.00000
80 22G-2 0.00000 0.00000 0.00103 0.00000 0.01743
81 22G+3 0.00000 0.00000 0.00000 0.00000 0.00000
82 22G-3 -0.02973 0.03538 0.00000 0.00000 0.00000
83 22G+4 0.00000 0.00000 0.00000 0.02676 0.00000
84 22G-4 0.00000 0.00000 -0.02676 0.00000 0.00019
85 23H 0 0.02711 -0.06595 0.00000 0.00000 0.00000
86 23H+1 0.00000 0.00000 -0.00029 0.00000 -0.04728
87 23H-1 0.00000 0.00000 0.00000 -0.00029 0.00000
88 23H+2 0.00000 0.00000 0.00000 -0.01261 0.00000
89 23H-2 0.00000 0.00000 -0.01261 0.00000 0.01348
90 23H+3 0.00000 0.00000 0.00000 0.00000 0.00000
91 23H-3 -0.01978 -0.00441 0.00000 0.00000 0.00000
92 23H+4 0.00000 0.00000 0.00000 -0.10021 0.00000
93 23H-4 0.00000 0.00000 0.10021 0.00000 0.03064
94 23H+5 0.00000 0.00000 0.01759 0.00000 0.04036
95 23H-5 0.00000 0.00000 0.00000 -0.01759 0.00000
96 2 H 1S 0.01898 -0.00777 0.00000 -0.01964 0.00000
97 2S -0.02690 0.21117 0.00000 0.16011 0.00000
98 3S 0.72177 -1.35880 0.00000 -1.09963 0.00000
99 4S -5.02542 -9.61073 0.00000 -12.32975 0.00000
100 5S -0.37838 -1.02195 0.00000 -1.99827 0.00000
101 6PX 0.00000 0.00000 -0.00114 0.00000 0.00401
102 6PY 0.00093 0.00688 0.00000 -0.00018 0.00000
103 6PZ -0.00024 0.00210 0.00000 -0.00119 0.00000
104 7PX 0.00000 0.00000 0.00598 0.00000 -0.02846
105 7PY -0.00460 -0.04350 0.00000 -0.00211 0.00000
106 7PZ 0.00282 -0.01182 0.00000 0.00788 0.00000
107 8PX 0.00000 0.00000 -0.07356 0.00000 0.08964
108 8PY -0.13122 0.42755 0.00000 0.20981 0.00000
109 8PZ 0.04749 -0.03739 0.00000 -0.09526 0.00000
110 9PX 0.00000 0.00000 -0.95773 0.00000 -1.06996
111 9PY 0.95898 3.29620 0.00000 3.50734 0.00000
112 9PZ -0.14411 -1.32291 0.00000 -1.17415 0.00000
113 10D 0 0.00202 -0.00002 0.00000 -0.00201 0.00000
114 10D+1 0.00000 0.00000 -0.00369 0.00000 -0.00178
115 10D-1 0.00106 -0.00133 0.00000 -0.00108 0.00000
116 10D+2 0.00453 0.00124 0.00000 -0.00389 0.00000
117 10D-2 0.00000 0.00000 0.00313 0.00000 0.00739
118 11D 0 -0.01349 0.00158 0.00000 0.01085 0.00000
119 11D+1 0.00000 0.00000 0.02117 0.00000 0.00842
120 11D-1 -0.01006 0.00685 0.00000 0.00303 0.00000
121 11D+2 -0.02983 -0.00465 0.00000 0.01827 0.00000
122 11D-2 0.00000 0.00000 -0.02320 0.00000 -0.03266
123 12D 0 0.06069 0.12414 0.00000 0.07498 0.00000
124 12D+1 0.00000 0.00000 -0.14427 0.00000 -0.07505
125 12D-1 0.00642 0.13575 0.00000 0.17301 0.00000
126 12D+2 0.10800 0.28202 0.00000 0.23204 0.00000
127 12D-2 0.00000 0.00000 0.30998 0.00000 0.17454
128 13F 0 -0.00080 -0.00028 0.00000 0.00004 0.00000
129 13F+1 0.00000 0.00000 -0.00051 0.00000 -0.00007
130 13F-1 0.00238 -0.00206 0.00000 -0.00019 0.00000
131 13F+2 -0.00256 0.00068 0.00000 -0.00200 0.00000
132 13F-2 0.00000 0.00000 -0.00322 0.00000 -0.00221
133 13F+3 0.00000 0.00000 -0.00567 0.00000 -0.00037
134 13F-3 0.00265 -0.00091 0.00000 0.00248 0.00000
135 14F 0 0.00448 0.01029 0.00000 0.00987 0.00000
136 14F+1 0.00000 0.00000 0.00745 0.00000 0.00153
137 14F-1 -0.01457 0.00345 0.00000 -0.01050 0.00000
138 14F+2 0.01194 0.00586 0.00000 0.02493 0.00000
139 14F-2 0.00000 0.00000 0.02389 0.00000 0.01923
140 14F+3 0.00000 0.00000 0.05136 0.00000 0.01205
141 14F-3 -0.01668 -0.00562 0.00000 -0.03763 0.00000
142 15G 0 0.00004 0.00026 0.00000 -0.00034 0.00000
143 15G+1 0.00000 0.00000 0.00011 0.00000 0.00050
144 15G-1 -0.00056 -0.00112 0.00000 -0.00120 0.00000
145 15G+2 -0.00024 -0.00018 0.00000 -0.00094 0.00000
146 15G-2 0.00000 0.00000 -0.00121 0.00000 -0.00028
147 15G+3 0.00000 0.00000 0.00040 0.00000 0.00128
148 15G-3 -0.00053 0.00024 0.00000 -0.00136 0.00000
149 15G+4 -0.00084 0.00039 0.00000 -0.00261 0.00000
150 15G-4 0.00000 0.00000 -0.00255 0.00000 -0.00115
151 3 H 1S 0.01898 -0.00777 -0.01701 0.00982 0.00131
152 2S -0.02690 0.21117 0.13866 -0.08006 -0.02004
153 3S 0.72177 -1.35880 -0.95230 0.54981 0.03788
154 4S -5.02542 -9.61073 -10.67787 6.16487 2.81848
155 5S -0.37838 -1.02195 -1.73055 0.99913 0.49031
156 6PX 0.00081 0.00595 -0.00042 -0.00042 0.00091
157 6PY -0.00047 -0.00344 -0.00042 -0.00090 0.00179
158 6PZ -0.00024 0.00210 -0.00103 0.00059 -0.00269
159 7PX -0.00399 -0.03767 -0.00009 0.00350 -0.00561
160 7PY 0.00230 0.02175 0.00350 0.00396 -0.01320
161 7PZ 0.00282 -0.01182 0.00682 -0.00394 0.02078
162 8PX -0.11364 0.37027 0.13897 -0.12270 0.01364
163 8PY 0.06561 -0.21377 -0.12270 -0.00272 0.04388
164 8PZ 0.04749 -0.03739 -0.08250 0.04763 -0.06166
165 9PX 0.83050 2.85459 2.39107 -1.93343 -0.48247
166 9PY -0.47949 -1.64810 -1.93343 0.15854 -0.33919
167 9PZ -0.14411 -1.32291 -1.01684 0.58707 1.70617
168 10D 0 0.00202 -0.00002 -0.00174 0.00101 0.00521
169 10D+1 0.00092 -0.00115 -0.00174 -0.00113 -0.00834
170 10D-1 -0.00053 0.00067 -0.00113 -0.00304 0.00379
171 10D+2 -0.00227 -0.00062 0.00304 0.00137 0.00143
172 10D-2 0.00392 0.00107 -0.00214 0.00304 0.00492
173 11D 0 -0.01349 0.00158 0.00940 -0.00543 -0.02409
174 11D+1 -0.00871 0.00593 0.00756 0.00786 0.04113
175 11D-1 0.00503 -0.00342 0.00786 0.01664 -0.01888
176 11D+2 0.01492 0.00232 -0.01795 -0.01283 -0.00584
177 11D-2 -0.02584 -0.00403 0.00790 -0.01795 -0.02254
178 12D 0 0.06069 0.12414 0.06493 -0.03749 0.12580
179 12D+1 0.00556 0.11756 0.09369 -0.13739 -0.26282
180 12D-1 -0.00321 -0.06788 -0.13739 -0.06495 0.10841
181 12D+2 -0.05400 -0.14101 0.03375 0.29049 0.04590
182 12D-2 0.09353 0.24424 0.25152 0.03375 0.09503
183 13F 0 -0.00080 -0.00028 0.00003 -0.00002 0.00184
184 13F+1 0.00206 -0.00178 -0.00027 -0.00014 0.00110
185 13F-1 -0.00119 0.00103 -0.00014 -0.00043 -0.00068
186 13F+2 0.00128 -0.00034 -0.00053 -0.00292 -0.00176
187 13F-2 -0.00222 0.00058 -0.00230 -0.00053 0.00083
188 13F+3 0.00000 0.00000 0.00284 0.00491 0.00018
189 13F-3 0.00265 -0.00091 0.00214 -0.00124 0.00028
190 14F 0 0.00448 0.01029 0.00855 -0.00493 -0.01452
191 14F+1 -0.01262 0.00299 -0.00601 0.00777 -0.01327
192 14F-1 0.00729 -0.00173 0.00777 0.00296 0.00855
193 14F+2 -0.00597 -0.00293 -0.00045 0.02415 0.01720
194 14F-2 0.01034 0.00507 0.02467 -0.00045 -0.01055
195 14F+3 0.00000 0.00000 -0.02568 -0.04448 -0.00603
196 14F-3 -0.01668 -0.00562 -0.03259 0.01881 -0.00221
197 15G 0 0.00004 0.00026 -0.00030 0.00017 -0.00080
198 15G+1 -0.00049 -0.00097 -0.00087 0.00057 0.00040
199 15G-1 0.00028 0.00056 0.00057 -0.00022 0.00006
200 15G+2 0.00012 0.00009 -0.00012 -0.00114 0.00030
201 15G-2 -0.00021 -0.00016 -0.00100 -0.00012 -0.00080
202 15G+3 0.00000 0.00000 -0.00020 -0.00035 -0.00064
203 15G-3 -0.00053 0.00024 -0.00118 0.00068 0.00080
204 15G+4 0.00042 -0.00019 0.00223 0.00126 0.00047
205 15G-4 0.00073 -0.00034 0.00132 -0.00223 -0.00034
206 4 H 1S 0.01898 -0.00777 0.01701 0.00982 -0.00131
207 2S -0.02690 0.21117 -0.13866 -0.08006 0.02004
208 3S 0.72177 -1.35880 0.95230 0.54981 -0.03788
209 4S -5.02542 -9.61073 10.67787 6.16487 -2.81848
210 5S -0.37838 -1.02195 1.73055 0.99913 -0.49031
211 6PX -0.00081 -0.00595 -0.00042 0.00042 0.00091
212 6PY -0.00047 -0.00344 0.00042 -0.00090 -0.00179
213 6PZ -0.00024 0.00210 0.00103 0.00059 0.00269
214 7PX 0.00399 0.03767 -0.00009 -0.00350 -0.00561
215 7PY 0.00230 0.02175 -0.00350 0.00396 0.01320
216 7PZ 0.00282 -0.01182 -0.00682 -0.00394 -0.02078
217 8PX 0.11364 -0.37027 0.13897 0.12270 0.01364
218 8PY 0.06561 -0.21377 0.12270 -0.00272 -0.04388
219 8PZ 0.04749 -0.03739 0.08250 0.04763 0.06166
220 9PX -0.83050 -2.85459 2.39107 1.93343 -0.48247
221 9PY -0.47949 -1.64810 1.93343 0.15854 0.33919
222 9PZ -0.14411 -1.32291 1.01684 0.58707 -1.70617
223 10D 0 0.00202 -0.00002 0.00174 0.00101 -0.00521
224 10D+1 -0.00092 0.00115 -0.00174 0.00113 -0.00834
225 10D-1 -0.00053 0.00067 0.00113 -0.00304 -0.00379
226 10D+2 -0.00227 -0.00062 -0.00304 0.00137 -0.00143
227 10D-2 -0.00392 -0.00107 -0.00214 -0.00304 0.00492
228 11D 0 -0.01349 0.00158 -0.00940 -0.00543 0.02409
229 11D+1 0.00871 -0.00593 0.00756 -0.00786 0.04113
230 11D-1 0.00503 -0.00342 -0.00786 0.01664 0.01888
231 11D+2 0.01492 0.00232 0.01795 -0.01283 0.00584
232 11D-2 0.02584 0.00403 0.00790 0.01795 -0.02254
233 12D 0 0.06069 0.12414 -0.06493 -0.03749 -0.12580
234 12D+1 -0.00556 -0.11756 0.09369 0.13739 -0.26282
235 12D-1 -0.00321 -0.06788 0.13739 -0.06495 -0.10841
236 12D+2 -0.05400 -0.14101 -0.03375 0.29049 -0.04590
237 12D-2 -0.09353 -0.24424 0.25152 -0.03375 0.09503
238 13F 0 -0.00080 -0.00028 -0.00003 -0.00002 -0.00184
239 13F+1 -0.00206 0.00178 -0.00027 0.00014 0.00110
240 13F-1 -0.00119 0.00103 0.00014 -0.00043 0.00068
241 13F+2 0.00128 -0.00034 0.00053 -0.00292 0.00176
242 13F-2 0.00222 -0.00058 -0.00230 0.00053 0.00083
243 13F+3 0.00000 0.00000 0.00284 -0.00491 0.00018
244 13F-3 0.00265 -0.00091 -0.00214 -0.00124 -0.00028
245 14F 0 0.00448 0.01029 -0.00855 -0.00493 0.01452
246 14F+1 0.01262 -0.00299 -0.00601 -0.00777 -0.01327
247 14F-1 0.00729 -0.00173 -0.00777 0.00296 -0.00855
248 14F+2 -0.00597 -0.00293 0.00045 0.02415 -0.01720
249 14F-2 -0.01034 -0.00507 0.02467 0.00045 -0.01055
250 14F+3 0.00000 0.00000 -0.02568 0.04448 -0.00603
251 14F-3 -0.01668 -0.00562 0.03259 0.01881 0.00221
252 15G 0 0.00004 0.00026 0.00030 0.00017 0.00080
253 15G+1 0.00049 0.00097 -0.00087 -0.00057 0.00040
254 15G-1 0.00028 0.00056 -0.00057 -0.00022 -0.00006
255 15G+2 0.00012 0.00009 0.00012 -0.00114 -0.00030
256 15G-2 0.00021 0.00016 -0.00100 0.00012 -0.00080
257 15G+3 0.00000 0.00000 -0.00020 0.00035 -0.00064
258 15G-3 -0.00053 0.00024 0.00118 0.00068 -0.00080
259 15G+4 0.00042 -0.00019 -0.00223 0.00126 -0.00047
260 15G-4 -0.00073 0.00034 0.00132 0.00223 -0.00034
36 37 38 39 40
(E)--V (A2)--V (A1)--V (E)--V (E)--V
Eigenvalues -- 0.77149 0.82505 0.82613 0.83765 0.83765
1 1 Si 1S 0.00000 0.00000 -0.00073 0.00000 0.00000
2 2S 0.00000 0.00000 0.00388 0.00000 0.00000
3 3S 0.00000 0.00000 -0.01113 0.00000 0.00000
4 4S 0.00000 0.00000 -0.14130 0.00000 0.00000
5 5S 0.00000 0.00000 0.92556 0.00000 0.00000
6 6S 0.00000 0.00000 -0.45972 0.00000 0.00000
7 7S 0.00000 0.00000 1.86826 0.00000 0.00000
8 8PX 0.00000 0.00000 0.00000 0.03812 0.00000
9 8PY 0.00077 0.00000 0.00000 0.00000 0.03812
10 8PZ 0.00000 0.00000 0.06767 0.00000 0.00000
11 9PX 0.00000 0.00000 0.00000 -0.07463 0.00000
12 9PY 0.00101 0.00000 0.00000 0.00000 -0.07463
13 9PZ 0.00000 0.00000 -0.06111 0.00000 0.00000
14 10PX 0.00000 0.00000 0.00000 -0.11671 0.00000
15 10PY 0.01438 0.00000 0.00000 0.00000 -0.11671
16 10PZ 0.00000 0.00000 -0.00683 0.00000 0.00000
17 11PX 0.00000 0.00000 0.00000 -0.52248 0.00000
18 11PY -0.05684 0.00000 0.00000 0.00000 -0.52248
19 11PZ 0.00000 0.00000 -1.00020 0.00000 0.00000
20 12PX 0.00000 0.00000 0.00000 -1.15324 0.00000
21 12PY -2.72866 0.00000 0.00000 0.00000 -1.15324
22 12PZ 0.00000 0.00000 3.80418 0.00000 0.00000
23 13PX 0.00000 0.00000 0.00000 -1.76195 0.00000
24 13PY -0.53711 0.00000 0.00000 0.00000 -1.76195
25 13PZ 0.00000 0.00000 -0.76377 0.00000 0.00000
26 14D 0 0.00000 0.00000 -1.71687 0.00000 0.00000
27 14D+1 0.00000 0.00000 0.00000 2.14160 0.00000
28 14D-1 -0.89045 0.00000 0.00000 0.00000 2.14160
29 14D+2 2.93536 0.00000 0.00000 0.00000 3.32056
30 14D-2 0.00000 0.00000 0.00000 3.32056 0.00000
31 15D 0 0.00000 0.00000 -0.17011 0.00000 0.00000
32 15D+1 0.00000 0.00000 0.00000 -0.19373 0.00000
33 15D-1 0.43827 0.00000 0.00000 0.00000 -0.19373
34 15D+2 0.01292 0.00000 0.00000 0.00000 -0.14951
35 15D-2 0.00000 0.00000 0.00000 -0.14951 0.00000
36 16D 0 0.00000 0.00000 0.01601 0.00000 0.00000
37 16D+1 0.00000 0.00000 0.00000 0.00710 0.00000
38 16D-1 0.01843 0.00000 0.00000 0.00000 0.00710
39 16D+2 -0.05788 0.00000 0.00000 0.00000 0.00233
40 16D-2 0.00000 0.00000 0.00000 0.00233 0.00000
41 17D 0 0.00000 0.00000 0.02611 0.00000 0.00000
42 17D+1 0.00000 0.00000 0.00000 -0.02703 0.00000
43 17D-1 0.05332 0.00000 0.00000 0.00000 -0.02703
44 17D+2 -0.04236 0.00000 0.00000 0.00000 -0.03568
45 17D-2 0.00000 0.00000 0.00000 -0.03568 0.00000
46 18F 0 0.00000 0.00000 -0.86197 0.00000 0.00000
47 18F+1 0.00000 0.00000 0.00000 -0.86929 0.00000
48 18F-1 1.18194 0.00000 0.00000 0.00000 -0.86929
49 18F+2 -0.16186 0.00000 0.00000 0.00000 -1.98824
50 18F-2 0.00000 0.00000 0.00000 -1.98824 0.00000
51 18F+3 0.00000 3.64127 0.00000 0.00000 0.00000
52 18F-3 0.00000 0.00000 -0.68887 0.00000 0.00000
53 19F 0 0.00000 0.00000 -0.36032 0.00000 0.00000
54 19F+1 0.00000 0.00000 0.00000 -0.29205 0.00000
55 19F-1 0.07215 0.00000 0.00000 0.00000 -0.29205
56 19F+2 0.10575 0.00000 0.00000 0.00000 0.02747
57 19F-2 0.00000 0.00000 0.00000 0.02747 0.00000
58 19F+3 0.00000 0.65586 0.00000 0.00000 0.00000
59 19F-3 0.00000 0.00000 0.18263 0.00000 0.00000
60 20F 0 0.00000 0.00000 0.03405 0.00000 0.00000
61 20F+1 0.00000 0.00000 0.00000 0.00537 0.00000
62 20F-1 0.03110 0.00000 0.00000 0.00000 0.00537
63 20F+2 -0.02620 0.00000 0.00000 0.00000 -0.04955
64 20F-2 0.00000 0.00000 0.00000 -0.04955 0.00000
65 20F+3 0.00000 0.01100 0.00000 0.00000 0.00000
66 20F-3 0.00000 0.00000 -0.09716 0.00000 0.00000
67 21G 0 0.00000 0.00000 0.45449 0.00000 0.00000
68 21G+1 0.00000 0.00000 0.00000 0.08155 0.00000
69 21G-1 0.05378 0.00000 0.00000 0.00000 0.08155
70 21G+2 -0.31833 0.00000 0.00000 0.00000 0.25491
71 21G-2 0.00000 0.00000 0.00000 0.25491 0.00000
72 21G+3 0.00000 -0.87293 0.00000 0.00000 0.00000
73 21G-3 0.00000 0.00000 -0.54254 0.00000 0.00000
74 21G+4 0.02591 0.00000 0.00000 0.00000 0.59360
75 21G-4 0.00000 0.00000 0.00000 -0.59360 0.00000
76 22G 0 0.00000 0.00000 0.01281 0.00000 0.00000
77 22G+1 0.00000 0.00000 0.00000 0.02788 0.00000
78 22G-1 -0.00148 0.00000 0.00000 0.00000 0.02788
79 22G+2 0.01743 0.00000 0.00000 0.00000 -0.00569
80 22G-2 0.00000 0.00000 0.00000 -0.00569 0.00000
81 22G+3 0.00000 0.04047 0.00000 0.00000 0.00000
82 22G-3 0.00000 0.00000 -0.00174 0.00000 0.00000
83 22G+4 -0.00019 0.00000 0.00000 0.00000 0.01555
84 22G-4 0.00000 0.00000 0.00000 -0.01555 0.00000
85 23H 0 0.00000 0.00000 0.01821 0.00000 0.00000
86 23H+1 0.00000 0.00000 0.00000 0.04678 0.00000
87 23H-1 -0.04728 0.00000 0.00000 0.00000 0.04678
88 23H+2 0.01348 0.00000 0.00000 0.00000 -0.00977
89 23H-2 0.00000 0.00000 0.00000 -0.00977 0.00000
90 23H+3 0.00000 0.03465 0.00000 0.00000 0.00000
91 23H-3 0.00000 0.00000 0.13374 0.00000 0.00000
92 23H+4 -0.03064 0.00000 0.00000 0.00000 -0.09349
93 23H-4 0.00000 0.00000 0.00000 0.09349 0.00000
94 23H+5 0.00000 0.00000 0.00000 -0.00279 0.00000
95 23H-5 -0.04036 0.00000 0.00000 0.00000 0.00279
96 2 H 1S 0.00152 0.00000 0.00861 0.00000 0.00062
97 2S -0.02314 0.00000 -0.03192 0.00000 0.01749
98 3S 0.04374 0.00000 0.75772 0.00000 -0.82126
99 4S 3.25450 0.00000 -0.91901 0.00000 4.52893
100 5S 0.56616 0.00000 -0.41276 0.00000 1.82217
101 6PX 0.00000 0.00045 0.00000 0.00281 0.00000
102 6PY -0.00012 0.00000 -0.00022 0.00000 0.00742
103 6PZ -0.00311 0.00000 0.00224 0.00000 -0.00047
104 7PX 0.00000 -0.00030 0.00000 -0.01834 0.00000
105 7PY 0.00201 0.00000 0.00417 0.00000 -0.05600
106 7PZ 0.02400 0.00000 -0.01544 0.00000 0.00529
107 8PX 0.00000 -0.00507 0.00000 0.04071 0.00000
108 8PY -0.01170 0.00000 -0.15427 0.00000 0.42255
109 8PZ -0.07120 0.00000 0.06307 0.00000 -0.09109
110 9PX 0.00000 2.96148 0.00000 -2.11001 0.00000
111 9PY -0.28664 0.00000 -0.23429 0.00000 -2.09579
112 9PZ 1.97012 0.00000 -1.92904 0.00000 -1.29338
113 10D 0 0.00602 0.00000 -0.00379 0.00000 -0.00800
114 10D+1 0.00000 0.00489 0.00000 -0.00389 0.00000
115 10D-1 -0.01053 0.00000 0.00932 0.00000 0.00477
116 10D+2 0.00410 0.00000 -0.00015 0.00000 -0.00820
117 10D-2 0.00000 -0.01593 0.00000 0.00909 0.00000
118 11D 0 -0.02781 0.00000 0.01949 0.00000 0.04726
119 11D+1 0.00000 -0.02579 0.00000 0.01887 0.00000
120 11D-1 0.05203 0.00000 -0.05470 0.00000 -0.02076
121 11D+2 -0.01916 0.00000 -0.00387 0.00000 0.05168
122 11D-2 0.00000 0.08976 0.00000 -0.05072 0.00000
123 12D 0 0.14526 0.00000 -0.19037 0.00000 -0.23534
124 12D+1 0.00000 0.10853 0.00000 -0.12793 0.00000
125 12D-1 -0.32541 0.00000 0.41049 0.00000 0.23680
126 12D+2 0.06853 0.00000 -0.06484 0.00000 -0.13400
127 12D-2 0.00000 -0.60196 0.00000 0.39602 0.00000
128 13F 0 0.00213 0.00000 -0.00363 0.00000 0.00371
129 13F+1 0.00000 0.00355 0.00000 0.00018 0.00000
130 13F-1 0.00150 0.00000 -0.00388 0.00000 -0.00486
131 13F+2 0.00185 0.00000 -0.00618 0.00000 -0.00114
132 13F-2 0.00000 -0.00005 0.00000 -0.00196 0.00000
133 13F+3 0.00000 0.00814 0.00000 -0.00553 0.00000
134 13F-3 0.00032 0.00000 -0.00001 0.00000 -0.00396
135 14F 0 -0.01677 0.00000 0.02919 0.00000 -0.01158
136 14F+1 0.00000 -0.02556 0.00000 0.00217 0.00000
137 14F-1 -0.01820 0.00000 0.03714 0.00000 0.03202
138 14F+2 -0.02048 0.00000 0.04952 0.00000 0.01655
139 14F-2 0.00000 0.00044 0.00000 0.01859 0.00000
140 14F+3 0.00000 -0.05929 0.00000 0.04865 0.00000
141 14F-3 -0.00255 0.00000 0.00613 0.00000 0.01100
142 15G 0 -0.00093 0.00000 0.00097 0.00000 0.00092
143 15G+1 0.00000 -0.00030 0.00000 0.00022 0.00000
144 15G-1 0.00037 0.00000 -0.00121 0.00000 -0.00007
145 15G+2 -0.00098 0.00000 0.00181 0.00000 0.00067
146 15G-2 0.00000 0.00134 0.00000 -0.00051 0.00000
147 15G+3 0.00000 0.00096 0.00000 0.00093 0.00000
148 15G-3 0.00092 0.00000 -0.00214 0.00000 -0.00061
149 15G+4 0.00007 0.00000 0.00051 0.00000 -0.00093
150 15G-4 0.00000 0.00119 0.00000 -0.00268 0.00000
151 3 H 1S -0.00076 0.00000 0.00861 0.00054 -0.00031
152 2S 0.01157 0.00000 -0.03192 0.01515 -0.00875
153 3S -0.02187 0.00000 0.75772 -0.71123 0.41063
154 4S -1.62725 0.00000 -0.91901 3.92217 -2.26447
155 5S -0.28308 0.00000 -0.41276 1.57805 -0.91109
156 6PX 0.00179 -0.00022 -0.00019 0.00627 -0.00200
157 6PY 0.00298 -0.00039 0.00011 -0.00200 0.00396
158 6PZ 0.00156 0.00000 0.00224 -0.00041 0.00024
159 7PX -0.01320 0.00015 0.00361 -0.04659 0.01631
160 7PY -0.02085 0.00026 -0.00208 0.01631 -0.02776
161 7PZ -0.01200 0.00000 -0.01544 0.00458 -0.00265
162 8PX 0.04388 0.00253 -0.13360 0.32709 -0.16535
163 8PY 0.06430 0.00439 0.07714 -0.16535 0.13617
164 8PZ 0.03560 0.00000 0.06307 -0.07889 0.04554
165 9PX -0.33919 -1.48074 -0.20290 -2.09935 -0.00616
166 9PY -0.87413 -2.56472 0.11714 -0.00616 -2.10646
167 9PZ -0.98506 0.00000 -1.92904 -1.12010 0.64669
168 10D 0 -0.00301 0.00000 -0.00379 -0.00693 0.00400
169 10D+1 0.00379 -0.00244 0.00807 0.00260 -0.00375
170 10D-1 -0.00396 -0.00423 -0.00466 -0.00375 -0.00172
171 10D+2 0.00657 0.01380 0.00008 0.00749 0.00477
172 10D-2 0.00143 0.00797 -0.00013 -0.00388 0.00749
173 11D 0 0.01391 0.00000 0.01949 0.04093 -0.02363
174 11D+1 -0.01888 0.01289 -0.04738 -0.01085 0.01716
175 11D-1 0.01932 0.02233 0.02735 0.01716 0.00896
176 11D+2 -0.02928 -0.07773 0.00193 -0.04434 -0.02512
177 11D-2 -0.00584 -0.04488 -0.00335 0.02608 -0.04434
178 12D 0 -0.07263 0.00000 -0.19037 -0.20381 0.11767
179 12D+1 0.10841 -0.05426 0.35549 0.14562 -0.15793
180 12D-1 -0.13764 -0.09399 -0.20524 -0.15793 -0.03675
181 12D+2 0.14804 0.52131 0.03242 0.22951 0.26352
182 12D-2 0.04590 0.30098 -0.05616 -0.00150 0.22951
183 13F 0 -0.00106 0.00000 -0.00363 0.00321 -0.00186
184 13F+1 -0.00068 -0.00178 -0.00336 -0.00360 0.00218
185 13F-1 0.00032 -0.00307 0.00194 0.00218 -0.00108
186 13F+2 -0.00120 0.00005 0.00309 -0.00035 -0.00175
187 13F-2 -0.00176 0.00003 -0.00535 -0.00134 -0.00035
188 13F+3 0.00032 0.00814 0.00000 0.00276 0.00479
189 13F-3 -0.00016 0.00000 -0.00001 -0.00343 0.00198
190 14F 0 0.00838 0.00000 0.02919 -0.01003 0.00579
191 14F+1 0.00855 0.01278 0.03217 0.02455 -0.01293
192 14F-1 -0.00340 0.02214 -0.01857 -0.01293 0.00963
193 14F+2 0.00930 -0.00038 -0.02476 0.00089 0.01808
194 14F-2 0.01720 -0.00022 0.04288 0.01706 0.00089
195 14F+3 -0.01044 -0.05929 0.00000 -0.02432 -0.04213
196 14F-3 0.00127 0.00000 0.00613 0.00952 -0.00550
197 15G 0 0.00046 0.00000 0.00097 0.00080 -0.00046
198 15G+1 0.00006 0.00015 -0.00105 0.00000 0.00012
199 15G-1 0.00047 0.00026 0.00061 0.00012 0.00014
200 15G+2 -0.00045 -0.00116 -0.00090 -0.00051 -0.00022
201 15G-2 0.00030 -0.00067 0.00157 0.00037 -0.00051
202 15G+3 -0.00111 0.00096 0.00000 -0.00046 -0.00080
203 15G-3 -0.00046 0.00000 -0.00214 -0.00053 0.00030
204 15G+4 0.00088 0.00103 -0.00026 0.00157 0.00178
205 15G-4 -0.00047 -0.00059 -0.00044 0.00003 -0.00157
206 4 H 1S -0.00076 0.00000 0.00861 -0.00054 -0.00031
207 2S 0.01157 0.00000 -0.03192 -0.01515 -0.00875
208 3S -0.02187 0.00000 0.75772 0.71123 0.41063
209 4S -1.62725 0.00000 -0.91901 -3.92217 -2.26447
210 5S -0.28308 0.00000 -0.41276 -1.57805 -0.91109
211 6PX -0.00179 -0.00022 0.00019 0.00627 0.00200
212 6PY 0.00298 0.00039 0.00011 0.00200 0.00396
213 6PZ 0.00156 0.00000 0.00224 0.00041 0.00024
214 7PX 0.01320 0.00015 -0.00361 -0.04659 -0.01631
215 7PY -0.02085 -0.00026 -0.00208 -0.01631 -0.02776
216 7PZ -0.01200 0.00000 -0.01544 -0.00458 -0.00265
217 8PX -0.04388 0.00253 0.13360 0.32709 0.16535
218 8PY 0.06430 -0.00439 0.07714 0.16535 0.13617
219 8PZ 0.03560 0.00000 0.06307 0.07889 0.04554
220 9PX 0.33919 -1.48074 0.20290 -2.09935 0.00616
221 9PY -0.87413 2.56472 0.11714 0.00616 -2.10646
222 9PZ -0.98506 0.00000 -1.92904 1.12010 0.64669
223 10D 0 -0.00301 0.00000 -0.00379 0.00693 0.00400
224 10D+1 -0.00379 -0.00244 -0.00807 0.00260 0.00375
225 10D-1 -0.00396 0.00423 -0.00466 0.00375 -0.00172
226 10D+2 0.00657 -0.01380 0.00008 -0.00749 0.00477
227 10D-2 -0.00143 0.00797 0.00013 -0.00388 -0.00749
228 11D 0 0.01391 0.00000 0.01949 -0.04093 -0.02363
229 11D+1 0.01888 0.01289 0.04738 -0.01085 -0.01716
230 11D-1 0.01932 -0.02233 0.02735 -0.01716 0.00896
231 11D+2 -0.02928 0.07773 0.00193 0.04434 -0.02512
232 11D-2 0.00584 -0.04488 0.00335 0.02608 0.04434
233 12D 0 -0.07263 0.00000 -0.19037 0.20381 0.11767
234 12D+1 -0.10841 -0.05426 -0.35549 0.14562 0.15793
235 12D-1 -0.13764 0.09399 -0.20524 0.15793 -0.03675
236 12D+2 0.14804 -0.52131 0.03242 -0.22951 0.26352
237 12D-2 -0.04590 0.30098 0.05616 -0.00150 -0.22951
238 13F 0 -0.00106 0.00000 -0.00363 -0.00321 -0.00186
239 13F+1 0.00068 -0.00178 0.00336 -0.00360 -0.00218
240 13F-1 0.00032 0.00307 0.00194 -0.00218 -0.00108
241 13F+2 -0.00120 -0.00005 0.00309 0.00035 -0.00175
242 13F-2 0.00176 0.00003 0.00535 -0.00134 0.00035
243 13F+3 -0.00032 0.00814 0.00000 0.00276 -0.00479
244 13F-3 -0.00016 0.00000 -0.00001 0.00343 0.00198
245 14F 0 0.00838 0.00000 0.02919 0.01003 0.00579
246 14F+1 -0.00855 0.01278 -0.03217 0.02455 0.01293
247 14F-1 -0.00340 -0.02214 -0.01857 0.01293 0.00963
248 14F+2 0.00930 0.00038 -0.02476 -0.00089 0.01808
249 14F-2 -0.01720 -0.00022 -0.04288 0.01706 -0.00089
250 14F+3 0.01044 -0.05929 0.00000 -0.02432 0.04213
251 14F-3 0.00127 0.00000 0.00613 -0.00952 -0.00550
252 15G 0 0.00046 0.00000 0.00097 -0.00080 -0.00046
253 15G+1 -0.00006 0.00015 0.00105 0.00000 -0.00012
254 15G-1 0.00047 -0.00026 0.00061 -0.00012 0.00014
255 15G+2 -0.00045 0.00116 -0.00090 0.00051 -0.00022
256 15G-2 -0.00030 -0.00067 -0.00157 0.00037 0.00051
257 15G+3 0.00111 0.00096 0.00000 -0.00046 0.00080
258 15G-3 -0.00046 0.00000 -0.00214 0.00053 0.00030
259 15G+4 0.00088 -0.00103 -0.00026 -0.00157 0.00178
260 15G-4 0.00047 -0.00059 0.00044 0.00003 0.00157
41 42 43 44 45
(A1)--V (E)--V (E)--V (E)--V (E)--V
Eigenvalues -- 0.85242 0.93055 0.93055 0.97652 0.97652
1 1 Si 1S -0.00004 0.00000 0.00000 0.00000 0.00000
2 2S 0.03305 0.00000 0.00000 0.00000 0.00000
3 3S 0.10348 0.00000 0.00000 0.00000 0.00000
4 4S 0.62673 0.00000 0.00000 0.00000 0.00000
5 5S -2.31929 0.00000 0.00000 0.00000 0.00000
6 6S 1.39144 0.00000 0.00000 0.00000 0.00000
7 7S 2.38710 0.00000 0.00000 0.00000 0.00000
8 8PX 0.00000 0.03178 0.00000 -0.08377 0.00000
9 8PY 0.00000 0.00000 0.03178 0.00000 -0.08377
10 8PZ 0.10252 0.00000 0.00000 0.00000 0.00000
11 9PX 0.00000 -0.05107 0.00000 0.12778 0.00000
12 9PY 0.00000 0.00000 -0.05107 0.00000 0.12778
13 9PZ -0.02836 0.00000 0.00000 0.00000 0.00000
14 10PX 0.00000 -0.09027 0.00000 0.23697 0.00000
15 10PY 0.00000 0.00000 -0.09027 0.00000 0.23697
16 10PZ 0.13819 0.00000 0.00000 0.00000 0.00000
17 11PX 0.00000 -0.15182 0.00000 0.05520 0.00000
18 11PY 0.00000 0.00000 -0.15182 0.00000 0.05520
19 11PZ -0.63796 0.00000 0.00000 0.00000 0.00000
20 12PX 0.00000 2.16584 0.00000 -9.84478 0.00000
21 12PY 0.00000 0.00000 2.16584 0.00000 -9.84478
22 12PZ -0.24692 0.00000 0.00000 0.00000 0.00000
23 13PX 0.00000 -0.42155 0.00000 0.38608 0.00000
24 13PY 0.00000 0.00000 -0.42155 0.00000 0.38608
25 13PZ -0.81656 0.00000 0.00000 0.00000 0.00000
26 14D 0 -0.75647 0.00000 0.00000 0.00000 0.00000
27 14D+1 0.00000 -1.24040 0.00000 2.27240 0.00000
28 14D-1 0.00000 0.00000 -1.24040 0.00000 2.27240
29 14D+2 0.00000 0.00000 0.11728 0.00000 4.74919
30 14D-2 0.00000 0.11728 0.00000 4.74919 0.00000
31 15D 0 0.82234 0.00000 0.00000 0.00000 0.00000
32 15D+1 0.00000 -1.60120 0.00000 0.95407 0.00000
33 15D-1 0.00000 0.00000 -1.60120 0.00000 0.95407
34 15D+2 0.00000 0.00000 0.23078 0.00000 2.43846
35 15D-2 0.00000 0.23078 0.00000 2.43846 0.00000
36 16D 0 0.04568 0.00000 0.00000 0.00000 0.00000
37 16D+1 0.00000 0.12723 0.00000 -0.10168 0.00000
38 16D-1 0.00000 0.00000 0.12723 0.00000 -0.10168
39 16D+2 0.00000 0.00000 -0.00710 0.00000 -0.21565
40 16D-2 0.00000 -0.00710 0.00000 -0.21565 0.00000
41 17D 0 0.05696 0.00000 0.00000 0.00000 0.00000
42 17D+1 0.00000 -0.08512 0.00000 0.00549 0.00000
43 17D-1 0.00000 0.00000 -0.08512 0.00000 0.00549
44 17D+2 0.00000 0.00000 0.02534 0.00000 0.05905
45 17D-2 0.00000 0.02534 0.00000 0.05905 0.00000
46 18F 0 0.81207 0.00000 0.00000 0.00000 0.00000
47 18F+1 0.00000 0.99864 0.00000 0.43568 0.00000
48 18F-1 0.00000 0.00000 0.99864 0.00000 0.43568
49 18F+2 0.00000 0.00000 0.94271 0.00000 -2.00021
50 18F-2 0.00000 0.94271 0.00000 -2.00021 0.00000
51 18F+3 0.00000 0.00000 0.00000 0.00000 0.00000
52 18F-3 -0.58070 0.00000 0.00000 0.00000 0.00000
53 19F 0 -0.03453 0.00000 0.00000 0.00000 0.00000
54 19F+1 0.00000 -0.02906 0.00000 0.26130 0.00000
55 19F-1 0.00000 0.00000 -0.02906 0.00000 0.26130
56 19F+2 0.00000 0.00000 0.13608 0.00000 -0.38060
57 19F-2 0.00000 0.13608 0.00000 -0.38060 0.00000
58 19F+3 0.00000 0.00000 0.00000 0.00000 0.00000
59 19F-3 -0.15976 0.00000 0.00000 0.00000 0.00000
60 20F 0 -0.01027 0.00000 0.00000 0.00000 0.00000
61 20F+1 0.00000 0.03705 0.00000 0.01982 0.00000
62 20F-1 0.00000 0.00000 0.03705 0.00000 0.01982
63 20F+2 0.00000 0.00000 0.02984 0.00000 -0.07907
64 20F-2 0.00000 0.02984 0.00000 -0.07907 0.00000
65 20F+3 0.00000 0.00000 0.00000 0.00000 0.00000
66 20F-3 0.08610 0.00000 0.00000 0.00000 0.00000
67 21G 0 0.03003 0.00000 0.00000 0.00000 0.00000
68 21G+1 0.00000 0.10596 0.00000 -0.16787 0.00000
69 21G-1 0.00000 0.00000 0.10596 0.00000 -0.16787
70 21G+2 0.00000 0.00000 -0.18908 0.00000 -0.05120
71 21G-2 0.00000 -0.18908 0.00000 -0.05120 0.00000
72 21G+3 0.00000 0.00000 0.00000 0.00000 0.00000
73 21G-3 0.22225 0.00000 0.00000 0.00000 0.00000
74 21G+4 0.00000 0.00000 0.11014 0.00000 -0.10457
75 21G-4 0.00000 -0.11014 0.00000 0.10457 0.00000
76 22G 0 -0.00557 0.00000 0.00000 0.00000 0.00000
77 22G+1 0.00000 0.03808 0.00000 -0.05230 0.00000
78 22G-1 0.00000 0.00000 0.03808 0.00000 -0.05230
79 22G+2 0.00000 0.00000 -0.01944 0.00000 -0.03347
80 22G-2 0.00000 -0.01944 0.00000 -0.03347 0.00000
81 22G+3 0.00000 0.00000 0.00000 0.00000 0.00000
82 22G-3 -0.02780 0.00000 0.00000 0.00000 0.00000
83 22G+4 0.00000 0.00000 0.04533 0.00000 -0.04246
84 22G-4 0.00000 -0.04533 0.00000 0.04246 0.00000
85 23H 0 -0.03084 0.00000 0.00000 0.00000 0.00000
86 23H+1 0.00000 -0.05099 0.00000 0.00448 0.00000
87 23H-1 0.00000 0.00000 -0.05099 0.00000 0.00448
88 23H+2 0.00000 0.00000 -0.00594 0.00000 0.06318
89 23H-2 0.00000 -0.00594 0.00000 0.06318 0.00000
90 23H+3 0.00000 0.00000 0.00000 0.00000 0.00000
91 23H-3 0.01124 0.00000 0.00000 0.00000 0.00000
92 23H+4 0.00000 0.00000 -0.06784 0.00000 0.02995
93 23H-4 0.00000 0.06784 0.00000 -0.02995 0.00000
94 23H+5 0.00000 0.02764 0.00000 0.08302 0.00000
95 23H-5 0.00000 0.00000 -0.02764 0.00000 -0.08302
96 2 H 1S -0.01355 0.00000 0.00230 0.00000 -0.02270
97 2S 0.04929 0.00000 0.05637 0.00000 -0.13479
98 3S -0.82371 0.00000 -0.33549 0.00000 0.27185
99 4S 0.13723 0.00000 -1.90592 0.00000 11.84813
100 5S -0.85178 0.00000 0.59043 0.00000 -1.22552
101 6PX 0.00000 0.00404 0.00000 0.01213 0.00000
102 6PY -0.00511 0.00000 0.00243 0.00000 -0.01821
103 6PZ -0.00774 0.00000 -0.01357 0.00000 0.00616
104 7PX 0.00000 -0.01847 0.00000 -0.06422 0.00000
105 7PY 0.02683 0.00000 -0.02239 0.00000 0.11278
106 7PZ 0.03978 0.00000 0.07215 0.00000 -0.03885
107 8PX 0.00000 0.05319 0.00000 0.24584 0.00000
108 8PY 0.00982 0.00000 0.19269 0.00000 -0.68159
109 8PZ -0.17082 0.00000 -0.31008 0.00000 0.23519
110 9PX 0.00000 -0.69273 0.00000 -1.81742 0.00000
111 9PY -0.06546 0.00000 0.89526 0.00000 -2.27273
112 9PZ 0.66907 0.00000 2.11566 0.00000 0.50940
113 10D 0 -0.00370 0.00000 -0.00276 0.00000 -0.00177
114 10D+1 0.00000 -0.00438 0.00000 0.00031 0.00000
115 10D-1 0.00150 0.00000 -0.00359 0.00000 0.00272
116 10D+2 -0.00531 0.00000 -0.00152 0.00000 0.00523
117 10D-2 0.00000 -0.00485 0.00000 -0.00239 0.00000
118 11D 0 0.01761 0.00000 0.00572 0.00000 0.00401
119 11D+1 0.00000 0.02125 0.00000 0.00012 0.00000
120 11D-1 0.00372 0.00000 0.03339 0.00000 -0.01555
121 11D+2 0.03019 0.00000 0.00612 0.00000 -0.02894
122 11D-2 0.00000 0.01281 0.00000 -0.00137 0.00000
123 12D 0 -0.06777 0.00000 0.14845 0.00000 -0.17357
124 12D+1 0.00000 -0.12315 0.00000 -0.05345 0.00000
125 12D-1 -0.05652 0.00000 -0.22049 0.00000 -0.20740
126 12D+2 -0.13743 0.00000 0.16426 0.00000 -0.27769
127 12D-2 0.00000 0.11416 0.00000 0.15250 0.00000
128 13F 0 0.00252 0.00000 0.00456 0.00000 -0.00009
129 13F+1 0.00000 -0.00123 0.00000 -0.00135 0.00000
130 13F-1 0.00082 0.00000 0.00744 0.00000 0.00198
131 13F+2 0.00486 0.00000 0.00755 0.00000 -0.00069
132 13F-2 0.00000 -0.00371 0.00000 -0.00394 0.00000
133 13F+3 0.00000 -0.00634 0.00000 -0.00842 0.00000
134 13F-3 -0.00147 0.00000 0.00181 0.00000 0.00091
135 14F 0 -0.01463 0.00000 -0.02387 0.00000 -0.01586
136 14F+1 0.00000 0.00998 0.00000 0.00658 0.00000
137 14F-1 -0.00132 0.00000 -0.05987 0.00000 -0.00003
138 14F+2 -0.02827 0.00000 -0.04222 0.00000 -0.02186
139 14F-2 0.00000 0.02815 0.00000 0.03191 0.00000
140 14F+3 0.00000 0.05114 0.00000 0.05575 0.00000
141 14F-3 0.01339 0.00000 -0.02575 0.00000 0.02356
142 15G 0 -0.00001 0.00000 -0.00184 0.00000 -0.00010
143 15G+1 0.00000 0.00051 0.00000 0.00046 0.00000
144 15G-1 0.00073 0.00000 -0.00023 0.00000 0.00081
145 15G+2 -0.00013 0.00000 -0.00253 0.00000 -0.00018
146 15G-2 0.00000 -0.00102 0.00000 0.00088 0.00000
147 15G+3 0.00000 0.00126 0.00000 0.00216 0.00000
148 15G-3 0.00124 0.00000 0.00088 0.00000 0.00164
149 15G+4 0.00082 0.00000 -0.00118 0.00000 0.00143
150 15G-4 0.00000 -0.00275 0.00000 -0.00094 0.00000
151 3 H 1S -0.01355 0.00199 -0.00115 -0.01966 0.01135
152 2S 0.04929 0.04882 -0.02819 -0.11674 0.06740
153 3S -0.82371 -0.29054 0.16775 0.23543 -0.13593
154 4S 0.13723 -1.65058 0.95296 10.26078 -5.92406
155 5S -0.85178 0.51133 -0.29522 -1.06133 0.61276
156 6PX -0.00443 0.00283 0.00070 -0.01062 0.01314
157 6PY 0.00256 0.00070 0.00364 0.01314 0.00455
158 6PZ -0.00774 -0.01175 0.00678 0.00533 -0.00308
159 7PX 0.02324 -0.02141 0.00170 0.06853 -0.07664
160 7PY -0.01342 0.00170 -0.01945 -0.07664 -0.01997
161 7PZ 0.03978 0.06248 -0.03608 -0.03365 0.01943
162 8PX 0.00850 0.15782 -0.06041 -0.44974 0.40159
163 8PY -0.00491 -0.06041 0.08806 0.40159 0.01398
164 8PZ -0.17082 -0.26854 0.15504 0.20368 -0.11759
165 9PX -0.05669 0.49826 -0.68762 -2.15891 0.19716
166 9PY 0.03273 -0.68762 -0.29573 0.19716 -1.93125
167 9PZ 0.66907 1.83222 -1.05783 0.44115 -0.25470
168 10D 0 -0.00370 -0.00239 0.00138 -0.00153 0.00089
169 10D+1 0.00130 -0.00379 -0.00034 0.00212 -0.00104
170 10D-1 -0.00075 -0.00034 -0.00418 -0.00104 0.00091
171 10D+2 0.00265 -0.00144 -0.00402 -0.00330 -0.00049
172 10D-2 -0.00460 -0.00235 -0.00144 0.00333 -0.00330
173 11D 0 0.01761 0.00495 -0.00286 0.00348 -0.00201
174 11D+1 0.00322 0.03036 -0.00526 -0.01163 0.00678
175 11D-1 -0.00186 -0.00526 0.02428 0.00678 -0.00380
176 11D+2 -0.01510 0.00289 0.01114 0.01194 -0.00826
177 11D-2 0.02615 0.00780 0.00289 -0.02205 0.01194
178 12D 0 -0.06777 0.12857 -0.07423 -0.15032 0.08679
179 12D+1 -0.04895 -0.19615 0.04215 -0.16891 0.06666
180 12D-1 0.02826 0.04215 -0.14749 0.06666 -0.09194
181 12D+2 0.06871 -0.02169 0.12669 0.18628 0.04495
182 12D-2 -0.11902 0.15173 -0.02169 -0.17014 0.18628
183 13F 0 0.00252 0.00395 -0.00228 -0.00008 0.00005
184 13F+1 0.00071 0.00527 -0.00376 0.00115 -0.00144
185 13F-1 -0.00041 -0.00376 0.00094 -0.00144 -0.00052
186 13F+2 -0.00243 -0.00488 -0.00089 -0.00141 -0.00312
187 13F-2 0.00421 0.00473 -0.00488 -0.00150 -0.00141
188 13F+3 0.00000 0.00317 0.00549 0.00421 0.00730
189 13F-3 -0.00147 0.00157 -0.00091 0.00079 -0.00046
190 14F 0 -0.01463 -0.02067 0.01194 -0.01373 0.00793
191 14F+1 -0.00115 -0.04241 0.03025 0.00162 0.00286
192 14F-1 0.00066 0.03025 -0.00748 0.00286 0.00493
193 14F+2 0.01413 0.03047 0.01056 0.02328 0.01847
194 14F-2 -0.02448 -0.02463 0.03047 -0.00841 0.02328
195 14F+3 0.00000 -0.02557 -0.04429 -0.02788 -0.04828
196 14F-3 0.01339 -0.02230 0.01287 0.02040 -0.01178
197 15G 0 -0.00001 -0.00159 0.00092 -0.00008 0.00005
198 15G+1 0.00063 -0.00005 0.00032 0.00072 -0.00015
199 15G-1 -0.00036 0.00032 0.00033 -0.00015 0.00055
200 15G+2 0.00006 0.00065 -0.00140 0.00046 0.00062
201 15G-2 -0.00011 -0.00215 0.00065 0.00009 0.00046
202 15G+3 0.00000 -0.00063 -0.00109 -0.00108 -0.00187
203 15G-3 0.00124 0.00076 -0.00044 0.00142 -0.00082
204 15G+4 -0.00041 0.00170 0.00177 -0.00021 0.00106
205 15G-4 -0.00071 0.00020 -0.00170 -0.00131 0.00021
206 4 H 1S -0.01355 -0.00199 -0.00115 0.01966 0.01135
207 2S 0.04929 -0.04882 -0.02819 0.11674 0.06740
208 3S -0.82371 0.29054 0.16775 -0.23543 -0.13593
209 4S 0.13723 1.65058 0.95296 -10.26078 -5.92406
210 5S -0.85178 -0.51133 -0.29522 1.06133 0.61276
211 6PX 0.00443 0.00283 -0.00070 -0.01062 -0.01314
212 6PY 0.00256 -0.00070 0.00364 -0.01314 0.00455
213 6PZ -0.00774 0.01175 0.00678 -0.00533 -0.00308
214 7PX -0.02324 -0.02141 -0.00170 0.06853 0.07664
215 7PY -0.01342 -0.00170 -0.01945 0.07664 -0.01997
216 7PZ 0.03978 -0.06248 -0.03608 0.03365 0.01943
217 8PX -0.00850 0.15782 0.06041 -0.44974 -0.40159
218 8PY -0.00491 0.06041 0.08806 -0.40159 0.01398
219 8PZ -0.17082 0.26854 0.15504 -0.20368 -0.11759
220 9PX 0.05669 0.49826 0.68762 -2.15891 -0.19716
221 9PY 0.03273 0.68762 -0.29573 -0.19716 -1.93125
222 9PZ 0.66907 -1.83222 -1.05783 -0.44115 -0.25470
223 10D 0 -0.00370 0.00239 0.00138 0.00153 0.00089
224 10D+1 -0.00130 -0.00379 0.00034 0.00212 0.00104
225 10D-1 -0.00075 0.00034 -0.00418 0.00104 0.00091
226 10D+2 0.00265 0.00144 -0.00402 0.00330 -0.00049
227 10D-2 0.00460 -0.00235 0.00144 0.00333 0.00330
228 11D 0 0.01761 -0.00495 -0.00286 -0.00348 -0.00201
229 11D+1 -0.00322 0.03036 0.00526 -0.01163 -0.00678
230 11D-1 -0.00186 0.00526 0.02428 -0.00678 -0.00380
231 11D+2 -0.01510 -0.00289 0.01114 -0.01194 -0.00826
232 11D-2 -0.02615 0.00780 -0.00289 -0.02205 -0.01194
233 12D 0 -0.06777 -0.12857 -0.07423 0.15032 0.08679
234 12D+1 0.04895 -0.19615 -0.04215 -0.16891 -0.06666
235 12D-1 0.02826 -0.04215 -0.14749 -0.06666 -0.09194
236 12D+2 0.06871 0.02169 0.12669 -0.18628 0.04495
237 12D-2 0.11902 0.15173 0.02169 -0.17014 -0.18628
238 13F 0 0.00252 -0.00395 -0.00228 0.00008 0.00005
239 13F+1 -0.00071 0.00527 0.00376 0.00115 0.00144
240 13F-1 -0.00041 0.00376 0.00094 0.00144 -0.00052
241 13F+2 -0.00243 0.00488 -0.00089 0.00141 -0.00312
242 13F-2 -0.00421 0.00473 0.00488 -0.00150 0.00141
243 13F+3 0.00000 0.00317 -0.00549 0.00421 -0.00730
244 13F-3 -0.00147 -0.00157 -0.00091 -0.00079 -0.00046
245 14F 0 -0.01463 0.02067 0.01194 0.01373 0.00793
246 14F+1 0.00115 -0.04241 -0.03025 0.00162 -0.00286
247 14F-1 0.00066 -0.03025 -0.00748 -0.00286 0.00493
248 14F+2 0.01413 -0.03047 0.01056 -0.02328 0.01847
249 14F-2 0.02448 -0.02463 -0.03047 -0.00841 -0.02328
250 14F+3 0.00000 -0.02557 0.04429 -0.02788 0.04828
251 14F-3 0.01339 0.02230 0.01287 -0.02040 -0.01178
252 15G 0 -0.00001 0.00159 0.00092 0.00008 0.00005
253 15G+1 -0.00063 -0.00005 -0.00032 0.00072 0.00015
254 15G-1 -0.00036 -0.00032 0.00033 0.00015 0.00055
255 15G+2 0.00006 -0.00065 -0.00140 -0.00046 0.00062
256 15G-2 0.00011 -0.00215 -0.00065 0.00009 -0.00046
257 15G+3 0.00000 -0.00063 0.00109 -0.00108 0.00187
258 15G-3 0.00124 -0.00076 -0.00044 -0.00142 -0.00082
259 15G+4 -0.00041 -0.00170 0.00177 0.00021 0.00106
260 15G-4 0.00071 0.00020 0.00170 -0.00131 -0.00021
46 47 48 49 50
(A1)--V (A1)--V (E)--V (E)--V (E)--V
Eigenvalues -- 0.99304 1.01343 1.11853 1.11853 1.36764
1 1 Si 1S -0.03927 0.03633 0.00000 0.00000 0.00000
2 2S 0.03087 -0.10342 0.00000 0.00000 0.00000
3 3S -0.31029 0.00615 0.00000 0.00000 0.00000
4 4S -0.56069 -1.36128 0.00000 0.00000 0.00000
5 5S -2.30498 5.20316 0.00000 0.00000 0.00000
6 6S 17.37890 1.56247 0.00000 0.00000 0.00000
7 7S -3.60915 4.93103 0.00000 0.00000 0.00000
8 8PX 0.00000 0.00000 0.02135 0.00000 0.07172
9 8PY 0.00000 0.00000 0.00000 0.02135 0.00000
10 8PZ 0.03384 0.01801 0.00000 0.00000 0.00000
11 9PX 0.00000 0.00000 0.08213 0.00000 -0.00954
12 9PY 0.00000 0.00000 0.00000 0.08213 0.00000
13 9PZ 0.04971 -0.04557 0.00000 0.00000 0.00000
14 10PX 0.00000 0.00000 0.51024 0.00000 0.35044
15 10PY 0.00000 0.00000 0.00000 0.51024 0.00000
16 10PZ 0.30567 -0.01269 0.00000 0.00000 0.00000
17 11PX 0.00000 0.00000 -3.26852 0.00000 -2.86145
18 11PY 0.00000 0.00000 0.00000 -3.26852 0.00000
19 11PZ -1.62932 -0.99401 0.00000 0.00000 0.00000
20 12PX 0.00000 0.00000 -10.02427 0.00000 -14.33135
21 12PY 0.00000 0.00000 0.00000 -10.02427 0.00000
22 12PZ -3.25612 -1.37533 0.00000 0.00000 0.00000
23 13PX 0.00000 0.00000 0.18687 0.00000 -0.66432
24 13PY 0.00000 0.00000 0.00000 0.18687 0.00000
25 13PZ 0.45663 -0.57296 0.00000 0.00000 0.00000
26 14D 0 -0.09737 0.05959 0.00000 0.00000 0.00000
27 14D+1 0.00000 0.00000 1.66756 0.00000 3.01563
28 14D-1 0.00000 0.00000 0.00000 1.66756 0.00000
29 14D+2 0.00000 0.00000 0.00000 2.01861 0.00000
30 14D-2 0.00000 0.00000 2.01861 0.00000 4.87034
31 15D 0 -1.33019 0.12919 0.00000 0.00000 0.00000
32 15D+1 0.00000 0.00000 1.25226 0.00000 1.93557
33 15D-1 0.00000 0.00000 0.00000 1.25226 0.00000
34 15D+2 0.00000 0.00000 0.00000 1.91861 0.00000
35 15D-2 0.00000 0.00000 1.91861 0.00000 3.14661
36 16D 0 0.05630 -0.18403 0.00000 0.00000 0.00000
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130 13F-1 0.00340 0.00861 0.00000 -0.00708 0.00000
131 13F+2 -0.00479 -0.00940 0.00000 0.01069 0.00000
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148 15G-3 -0.00205 -0.00274 0.00000 0.00294 0.00000
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150 15G-4 0.00000 0.00000 0.00054 0.00000 0.00023
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153 3S 0.99144 1.70955 -1.98189 1.14425 0.01073
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158 6PZ -0.01191 0.00083 0.00227 -0.00131 -0.00117
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160 7PY 0.03362 -0.04295 -0.00929 0.06162 0.00832
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163 8PY -0.12563 0.36286 -0.06362 -0.22979 -0.12371
164 8PZ -0.27114 0.12964 -0.01823 0.01052 -0.06296
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176 11D+2 0.02250 0.03625 -0.03369 0.03922 -0.00459
177 11D-2 -0.03898 -0.06278 0.07813 -0.03369 0.01935
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180 12D-1 -0.17626 -0.07847 0.18376 -0.16992 0.14906
181 12D+2 -0.23166 -0.15021 0.34690 -0.19013 0.29127
182 12D-2 0.40125 0.26018 -0.59070 0.34690 -0.40836
183 13F 0 -0.00179 -0.00383 0.00816 -0.00471 0.00391
184 13F+1 0.00295 0.00746 -0.00493 0.00371 -0.00351
185 13F-1 -0.00170 -0.00430 0.00371 -0.00065 0.00209
186 13F+2 0.00239 0.00470 -0.00510 0.00185 -0.00372
187 13F-2 -0.00415 -0.00814 0.00774 -0.00510 0.00463
188 13F+3 0.00000 0.00000 -0.00077 -0.00133 0.00151
189 13F-3 0.00371 0.00991 -0.01150 0.00664 -0.01184
190 14F 0 0.02322 0.02096 -0.05798 0.03347 -0.03550
191 14F+1 -0.02094 -0.04315 0.03466 -0.02337 0.02980
192 14F-1 0.01209 0.02491 -0.02337 0.00767 -0.01652
193 14F+2 -0.02242 -0.02597 0.03709 -0.01643 0.03190
194 14F-2 0.03883 0.04498 -0.05927 0.03709 -0.04165
195 14F+3 0.00000 0.00000 0.00178 0.00309 -0.01215
196 14F-3 -0.04077 -0.06375 0.08432 -0.04868 0.09016
197 15G 0 -0.00079 -0.00093 -0.00017 0.00010 -0.00004
198 15G+1 -0.00130 -0.00085 0.00194 -0.00139 0.00149
199 15G-1 0.00075 0.00049 -0.00139 0.00033 -0.00082
200 15G+2 0.00052 0.00053 -0.00027 -0.00042 -0.00009
201 15G-2 -0.00090 -0.00091 -0.00010 -0.00027 0.00022
202 15G+3 0.00000 0.00000 0.00088 0.00152 -0.00002
203 15G-3 -0.00205 -0.00274 0.00255 -0.00147 0.00170
204 15G+4 0.00116 0.00184 -0.00121 0.00015 -0.00097
205 15G-4 0.00201 0.00318 -0.00154 0.00121 -0.00144
206 4 H 1S 0.03050 -0.00708 0.03684 0.02127 -0.03723
207 2S 0.02508 -0.11106 -0.00881 -0.00509 0.13001
208 3S 0.99144 1.70955 1.98189 1.14425 -0.01073
209 4S -7.02832 -3.12654 -12.29911 -7.10089 -14.50120
210 5S 1.56576 -1.43301 0.91383 0.52760 -0.85018
211 6PX -0.01044 0.01197 -0.01427 -0.00248 0.00544
212 6PY -0.00603 0.00691 -0.00248 -0.01141 0.00298
213 6PZ -0.01191 0.00083 -0.00227 -0.00131 0.00117
214 7PX 0.05823 -0.07439 0.07235 0.00929 -0.00912
215 7PY 0.03362 -0.04295 0.00929 0.06162 -0.00832
216 7PZ 0.06591 -0.00681 0.01071 0.00618 -0.00299
217 8PX -0.21760 0.62850 -0.15633 0.06362 0.17095
218 8PY -0.12563 0.36286 0.06362 -0.22979 0.12371
219 8PZ -0.27114 0.12964 0.01823 0.01052 0.06296
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231 11D+2 0.02250 0.03625 0.03369 0.03922 0.00459
232 11D-2 0.03898 0.06278 0.07813 0.03369 0.01935
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237 12D-2 -0.40125 -0.26018 -0.59070 -0.34690 -0.40836
238 13F 0 -0.00179 -0.00383 -0.00816 -0.00471 -0.00391
239 13F+1 -0.00295 -0.00746 -0.00493 -0.00371 -0.00351
240 13F-1 -0.00170 -0.00430 -0.00371 -0.00065 -0.00209
241 13F+2 0.00239 0.00470 0.00510 0.00185 0.00372
242 13F-2 0.00415 0.00814 0.00774 0.00510 0.00463
243 13F+3 0.00000 0.00000 -0.00077 0.00133 0.00151
244 13F-3 0.00371 0.00991 0.01150 0.00664 0.01184
245 14F 0 0.02322 0.02096 0.05798 0.03347 0.03550
246 14F+1 0.02094 0.04315 0.03466 0.02337 0.02980
247 14F-1 0.01209 0.02491 0.02337 0.00767 0.01652
248 14F+2 -0.02242 -0.02597 -0.03709 -0.01643 -0.03190
249 14F-2 -0.03883 -0.04498 -0.05927 -0.03709 -0.04165
250 14F+3 0.00000 0.00000 0.00178 -0.00309 -0.01215
251 14F-3 -0.04077 -0.06375 -0.08432 -0.04868 -0.09016
252 15G 0 -0.00079 -0.00093 0.00017 0.00010 0.00004
253 15G+1 0.00130 0.00085 0.00194 0.00139 0.00149
254 15G-1 0.00075 0.00049 0.00139 0.00033 0.00082
255 15G+2 0.00052 0.00053 0.00027 -0.00042 0.00009
256 15G-2 0.00090 0.00091 -0.00010 0.00027 0.00022
257 15G+3 0.00000 0.00000 0.00088 -0.00152 -0.00002
258 15G-3 -0.00205 -0.00274 -0.00255 -0.00147 -0.00170
259 15G+4 0.00116 0.00184 0.00121 0.00015 0.00097
260 15G-4 -0.00201 -0.00318 -0.00154 -0.00121 -0.00144
51 52 53 54 55
(E)--V (A1)--V (A2)--V (E)--V (E)--V
Eigenvalues -- 1.36764 1.39915 1.41287 1.44690 1.44690
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5 5S 0.00000 -10.84103 0.00000 0.00000 0.00000
6 6S 0.00000 39.27076 0.00000 0.00000 0.00000
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12 9PY -0.00954 0.00000 0.00000 -0.00828 0.00000
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15 10PY 0.35044 0.00000 0.00000 -0.04293 0.00000
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18 11PY -2.86145 0.00000 0.00000 0.15335 0.00000
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28 14D-1 3.01563 0.00000 0.00000 -0.02031 0.00000
29 14D+2 4.87034 0.00000 0.00000 -0.67261 0.00000
30 14D-2 0.00000 0.00000 0.00000 0.00000 -0.67261
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32 15D+1 0.00000 0.00000 0.00000 0.00000 0.71577
33 15D-1 1.93557 0.00000 0.00000 0.71577 0.00000
34 15D+2 3.14661 0.00000 0.00000 0.13089 0.00000
35 15D-2 0.00000 0.00000 0.00000 0.00000 0.13089
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37 16D+1 0.00000 0.00000 0.00000 0.00000 -0.14362
38 16D-1 0.03654 0.00000 0.00000 -0.14362 0.00000
39 16D+2 0.03221 0.00000 0.00000 -0.06716 0.00000
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44 17D+2 0.07124 0.00000 0.00000 -0.00163 0.00000
45 17D-2 0.00000 0.00000 0.00000 0.00000 -0.00163
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49 18F+2 -1.48137 0.00000 0.00000 0.53260 0.00000
50 18F-2 0.00000 0.00000 0.00000 0.00000 0.53260
51 18F+3 0.00000 0.00000 -0.35548 0.00000 0.00000
52 18F-3 0.00000 -3.06109 0.00000 0.00000 0.00000
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54 19F+1 0.00000 0.00000 0.00000 0.00000 -1.71514
55 19F-1 -0.13156 0.00000 0.00000 -1.71514 0.00000
56 19F+2 -0.20905 0.00000 0.00000 -1.66695 0.00000
57 19F-2 0.00000 0.00000 0.00000 0.00000 -1.66695
58 19F+3 0.00000 0.00000 2.63754 0.00000 0.00000
59 19F-3 0.00000 -1.36382 0.00000 0.00000 0.00000
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61 20F+1 0.00000 0.00000 0.00000 0.00000 0.18164
62 20F-1 0.09228 0.00000 0.00000 0.18164 0.00000
63 20F+2 -0.11524 0.00000 0.00000 0.17162 0.00000
64 20F-2 0.00000 0.00000 0.00000 0.00000 0.17162
65 20F+3 0.00000 0.00000 -0.25506 0.00000 0.00000
66 20F-3 0.00000 -0.04566 0.00000 0.00000 0.00000
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68 21G+1 0.00000 0.00000 0.00000 0.00000 -0.19723
69 21G-1 0.34303 0.00000 0.00000 -0.19723 0.00000
70 21G+2 0.11613 0.00000 0.00000 0.44280 0.00000
71 21G-2 0.00000 0.00000 0.00000 0.00000 0.44280
72 21G+3 0.00000 0.00000 -0.71910 0.00000 0.00000
73 21G-3 0.00000 0.23001 0.00000 0.00000 0.00000
74 21G+4 0.20869 0.00000 0.00000 0.37936 0.00000
75 21G-4 0.00000 0.00000 0.00000 0.00000 -0.37936
76 22G 0 0.00000 0.06190 0.00000 0.00000 0.00000
77 22G+1 0.00000 0.00000 0.00000 0.00000 -0.00599
78 22G-1 -0.10662 0.00000 0.00000 -0.00599 0.00000
79 22G+2 -0.02960 0.00000 0.00000 0.05028 0.00000
80 22G-2 0.00000 0.00000 0.00000 0.00000 0.05028
81 22G+3 0.00000 0.00000 -0.06876 0.00000 0.00000
82 22G-3 0.00000 0.10499 0.00000 0.00000 0.00000
83 22G+4 -0.05019 0.00000 0.00000 0.03588 0.00000
84 22G-4 0.00000 0.00000 0.00000 0.00000 -0.03588
85 23H 0 0.00000 -0.06150 0.00000 0.00000 0.00000
86 23H+1 0.00000 0.00000 0.00000 0.00000 0.13341
87 23H-1 0.00746 0.00000 0.00000 0.13341 0.00000
88 23H+2 -0.00475 0.00000 0.00000 0.04155 0.00000
89 23H-2 0.00000 0.00000 0.00000 0.00000 0.04155
90 23H+3 0.00000 0.00000 0.01060 0.00000 0.00000
91 23H-3 0.00000 0.05983 0.00000 0.00000 0.00000
92 23H+4 -0.04292 0.00000 0.00000 0.01801 0.00000
93 23H-4 0.00000 0.00000 0.00000 0.00000 -0.01801
94 23H+5 0.00000 0.00000 0.00000 0.00000 0.02767
95 23H-5 -0.00949 0.00000 0.00000 -0.02767 0.00000
96 2 H 1S 0.04299 -0.03204 0.00000 0.00357 0.00000
97 2S -0.15012 0.21107 0.00000 -0.05133 0.00000
98 3S 0.01239 -1.43314 0.00000 0.46854 0.00000
99 4S 16.74454 -14.50644 0.00000 -2.09432 0.00000
100 5S 0.98170 -0.14925 0.00000 -0.06098 0.00000
101 6PX 0.00000 0.00000 -0.00389 0.00000 0.00288
102 6PY 0.00716 0.00658 0.00000 -0.00085 0.00000
103 6PZ -0.00135 -0.00252 0.00000 0.00687 0.00000
104 7PX 0.00000 0.00000 -0.01280 0.00000 0.00265
105 7PY -0.01393 -0.04733 0.00000 0.02195 0.00000
106 7PZ 0.00345 0.02194 0.00000 -0.00041 0.00000
107 8PX 0.00000 0.00000 0.01011 0.00000 0.01030
108 8PY 0.24238 0.36342 0.00000 -0.19240 0.00000
109 8PZ -0.07271 -0.13663 0.00000 0.07625 0.00000
110 9PX 0.00000 0.00000 1.03933 0.00000 -0.46533
111 9PY -6.73566 5.47277 0.00000 0.20378 0.00000
112 9PZ 1.95962 -2.05287 0.00000 -1.39582 0.00000
113 10D 0 -0.00977 -0.00131 0.00000 -0.00018 0.00000
114 10D+1 0.00000 0.00000 -0.00066 0.00000 -0.00273
115 10D-1 -0.00479 -0.00045 0.00000 0.00040 0.00000
116 10D+2 0.00266 0.00187 0.00000 0.00231 0.00000
117 10D-2 0.00000 0.00000 -0.00236 0.00000 0.00029
118 11D 0 0.05711 0.00483 0.00000 0.01404 0.00000
119 11D+1 0.00000 0.00000 -0.00351 0.00000 0.01528
120 11D-1 0.03852 -0.00671 0.00000 -0.03248 0.00000
121 11D+2 0.02201 -0.01433 0.00000 -0.00987 0.00000
122 11D-2 0.00000 0.00000 0.03953 0.00000 -0.01517
123 12D 0 -0.41937 0.11642 0.00000 -0.40010 0.00000
124 12D+1 0.00000 0.00000 0.11957 0.00000 -0.12472
125 12D-1 -0.39503 0.39150 0.00000 0.57347 0.00000
126 12D+2 -0.57653 0.43569 0.00000 -0.17754 0.00000
127 12D-2 0.00000 0.00000 -0.61831 0.00000 0.29307
128 13F 0 0.00451 -0.00224 0.00000 -0.00877 0.00000
129 13F+1 0.00000 0.00000 0.00435 0.00000 -0.00055
130 13F-1 -0.00471 -0.00306 0.00000 -0.01786 0.00000
131 13F+2 0.00678 -0.00336 0.00000 -0.01509 0.00000
132 13F-2 0.00000 0.00000 0.00817 0.00000 -0.00347
133 13F+3 0.00000 0.00000 0.01933 0.00000 -0.01024
134 13F-3 -0.01367 0.00002 0.00000 -0.00337 0.00000
135 14F 0 -0.04099 0.03043 0.00000 0.06159 0.00000
136 14F+1 0.00000 0.00000 -0.02935 0.00000 0.00435
137 14F-1 0.03933 0.01455 0.00000 0.13449 0.00000
138 14F+2 -0.06006 0.04407 0.00000 0.10606 0.00000
139 14F-2 0.00000 0.00000 -0.05510 0.00000 0.02842
140 14F+3 0.00000 0.00000 -0.13218 0.00000 0.07024
141 14F-3 0.10410 -0.01781 0.00000 0.03224 0.00000
142 15G 0 -0.00005 0.00019 0.00000 0.00248 0.00000
143 15G+1 0.00000 0.00000 -0.00039 0.00000 0.00026
144 15G-1 0.00197 -0.00147 0.00000 -0.00162 0.00000
145 15G+2 0.00028 0.00026 0.00000 0.00246 0.00000
146 15G-2 0.00000 0.00000 0.00064 0.00000 0.00038
147 15G+3 0.00000 0.00000 -0.00034 0.00000 0.00101
148 15G-3 0.00197 -0.00110 0.00000 -0.00157 0.00000
149 15G+4 0.00200 0.00053 0.00000 0.00010 0.00000
150 15G-4 0.00000 0.00000 0.00149 0.00000 -0.00088
151 3 H 1S -0.02149 -0.03204 0.00000 -0.00178 0.00309
152 2S 0.07506 0.21107 0.00000 0.02566 -0.04445
153 3S -0.00619 -1.43314 0.00000 -0.23427 0.40577
154 4S -8.37227 -14.50644 0.00000 1.04716 -1.81373
155 5S -0.49085 -0.14925 0.00000 0.03049 -0.05281
156 6PX -0.00298 0.00570 0.00194 0.00162 0.00009
157 6PY 0.00199 -0.00329 0.00337 0.00195 0.00162
158 6PZ 0.00068 -0.00252 0.00000 -0.00343 0.00595
159 7PX 0.00832 -0.04099 0.00640 -0.00836 0.01713
160 7PY 0.00049 0.02366 0.01109 0.00748 -0.00836
161 7PZ -0.00173 0.02194 0.00000 0.00021 -0.00036
162 8PX -0.12371 0.31473 -0.00505 0.08777 -0.14173
163 8PY 0.02810 -0.18171 -0.00876 -0.04038 0.08777
164 8PZ 0.03635 -0.13663 0.00000 -0.03813 0.06603
165 9PX 2.72032 4.73956 -0.51966 -0.28973 0.03650
166 9PY -2.02393 -2.73638 -0.90009 -0.29806 -0.28973
167 9PZ -0.97981 -2.05287 0.00000 0.69791 -1.20881
168 10D 0 0.00488 -0.00131 0.00000 0.00009 -0.00015
169 10D+1 0.00164 -0.00039 0.00033 -0.00136 -0.00038
170 10D-1 -0.00194 0.00023 0.00057 -0.00194 -0.00136
171 10D+2 -0.00185 -0.00094 0.00204 0.00079 -0.00088
172 10D-2 -0.00260 0.00162 0.00118 -0.00088 0.00180
173 11D 0 -0.02856 0.00483 0.00000 -0.00702 0.01216
174 11D+1 -0.01438 -0.00581 0.00176 0.02068 -0.02054
175 11D-1 0.01362 0.00335 0.00304 0.00334 0.02068
176 11D+2 0.01405 0.00716 -0.03423 -0.01385 -0.00230
177 11D-2 -0.00459 -0.01241 -0.01976 -0.00230 -0.01120
178 12D 0 0.20969 0.11642 0.00000 0.20005 -0.34650
179 12D+1 0.14906 0.33905 -0.05978 -0.30233 0.39892
180 12D-1 -0.13686 -0.19575 -0.10355 0.04983 -0.30233
181 12D+2 -0.07203 -0.21784 0.53547 0.17542 0.20378
182 12D-2 0.29127 0.37732 0.30915 0.20378 -0.05989
183 13F 0 -0.00226 -0.00224 0.00000 0.00438 -0.00759
184 13F+1 0.00209 -0.00265 -0.00218 0.00750 -0.01353
185 13F-1 -0.00110 0.00153 -0.00377 -0.00488 0.00750
186 13F+2 0.00033 0.00168 -0.00708 -0.00637 0.00503
187 13F-2 -0.00372 -0.00291 -0.00409 0.00503 -0.01218
188 13F+3 0.00261 0.00000 0.01933 0.00887 0.00512
189 13F-3 0.00683 0.00002 0.00000 0.00168 -0.00292
190 14F 0 0.02049 0.03043 0.00000 -0.03080 0.05334
191 14F+1 -0.01652 0.01260 0.01467 -0.05635 0.10196
192 14F-1 0.01072 -0.00728 0.02542 0.03689 -0.05635
193 14F+2 -0.00482 -0.02203 0.04772 0.04783 -0.03362
194 14F-2 0.03190 0.03816 0.02755 -0.03362 0.08665
195 14F+3 -0.02105 0.00000 -0.13218 -0.06083 -0.03512
196 14F-3 -0.05205 -0.01781 0.00000 -0.01612 0.02792
197 15G 0 0.00003 0.00019 0.00000 -0.00124 0.00215
198 15G+1 -0.00082 -0.00127 0.00019 0.00081 -0.00115
199 15G-1 0.00054 0.00073 0.00034 -0.00021 0.00081
200 15G+2 0.00012 -0.00013 -0.00055 0.00090 -0.00090
201 15G-2 -0.00009 0.00022 -0.00032 -0.00090 0.00194
202 15G+3 -0.00003 0.00000 -0.00034 -0.00087 -0.00050
203 15G-3 -0.00098 -0.00110 0.00000 0.00078 -0.00136
204 15G+4 0.00032 -0.00027 0.00129 0.00068 0.00034
205 15G-4 0.00097 -0.00046 -0.00074 -0.00034 -0.00029
206 4 H 1S -0.02149 -0.03204 0.00000 -0.00178 -0.00309
207 2S 0.07506 0.21107 0.00000 0.02566 0.04445
208 3S -0.00619 -1.43314 0.00000 -0.23427 -0.40577
209 4S -8.37227 -14.50644 0.00000 1.04716 1.81373
210 5S -0.49085 -0.14925 0.00000 0.03049 0.05281
211 6PX 0.00298 -0.00570 0.00194 -0.00162 0.00009
212 6PY 0.00199 -0.00329 -0.00337 0.00195 -0.00162
213 6PZ 0.00068 -0.00252 0.00000 -0.00343 -0.00595
214 7PX -0.00832 0.04099 0.00640 0.00836 0.01713
215 7PY 0.00049 0.02366 -0.01109 0.00748 0.00836
216 7PZ -0.00173 0.02194 0.00000 0.00021 0.00036
217 8PX 0.12371 -0.31473 -0.00505 -0.08777 -0.14173
218 8PY 0.02810 -0.18171 0.00876 -0.04038 -0.08777
219 8PZ 0.03635 -0.13663 0.00000 -0.03813 -0.06603
220 9PX -2.72032 -4.73956 -0.51966 0.28973 0.03650
221 9PY -2.02393 -2.73638 0.90009 -0.29806 0.28973
222 9PZ -0.97981 -2.05287 0.00000 0.69791 1.20881
223 10D 0 0.00488 -0.00131 0.00000 0.00009 0.00015
224 10D+1 -0.00164 0.00039 0.00033 0.00136 -0.00038
225 10D-1 -0.00194 0.00023 -0.00057 -0.00194 0.00136
226 10D+2 -0.00185 -0.00094 -0.00204 0.00079 0.00088
227 10D-2 0.00260 -0.00162 0.00118 0.00088 0.00180
228 11D 0 -0.02856 0.00483 0.00000 -0.00702 -0.01216
229 11D+1 0.01438 0.00581 0.00176 -0.02068 -0.02054
230 11D-1 0.01362 0.00335 -0.00304 0.00334 -0.02068
231 11D+2 0.01405 0.00716 0.03423 -0.01385 0.00230
232 11D-2 0.00459 0.01241 -0.01976 0.00230 -0.01120
233 12D 0 0.20969 0.11642 0.00000 0.20005 0.34650
234 12D+1 -0.14906 -0.33905 -0.05978 0.30233 0.39892
235 12D-1 -0.13686 -0.19575 0.10355 0.04983 0.30233
236 12D+2 -0.07203 -0.21784 -0.53547 0.17542 -0.20378
237 12D-2 -0.29127 -0.37732 0.30915 -0.20378 -0.05989
238 13F 0 -0.00226 -0.00224 0.00000 0.00438 0.00759
239 13F+1 -0.00209 0.00265 -0.00218 -0.00750 -0.01353
240 13F-1 -0.00110 0.00153 0.00377 -0.00488 -0.00750
241 13F+2 0.00033 0.00168 0.00708 -0.00637 -0.00503
242 13F-2 0.00372 0.00291 -0.00409 -0.00503 -0.01218
243 13F+3 -0.00261 0.00000 0.01933 -0.00887 0.00512
244 13F-3 0.00683 0.00002 0.00000 0.00168 0.00292
245 14F 0 0.02049 0.03043 0.00000 -0.03080 -0.05334
246 14F+1 0.01652 -0.01260 0.01467 0.05635 0.10196
247 14F-1 0.01072 -0.00728 -0.02542 0.03689 0.05635
248 14F+2 -0.00482 -0.02203 -0.04772 0.04783 0.03362
249 14F-2 -0.03190 -0.03816 0.02755 0.03362 0.08665
250 14F+3 0.02105 0.00000 -0.13218 0.06083 -0.03512
251 14F-3 -0.05205 -0.01781 0.00000 -0.01612 -0.02792
252 15G 0 0.00003 0.00019 0.00000 -0.00124 -0.00215
253 15G+1 0.00082 0.00127 0.00019 -0.00081 -0.00115
254 15G-1 0.00054 0.00073 -0.00034 -0.00021 -0.00081
255 15G+2 0.00012 -0.00013 0.00055 0.00090 0.00090
256 15G-2 0.00009 -0.00022 -0.00032 0.00090 0.00194
257 15G+3 0.00003 0.00000 -0.00034 0.00087 -0.00050
258 15G-3 -0.00098 -0.00110 0.00000 0.00078 0.00136
259 15G+4 0.00032 -0.00027 -0.00129 0.00068 -0.00034
260 15G-4 -0.00097 0.00046 -0.00074 0.00034 -0.00029
56 57 58 59 60
(E)--V (E)--V (A1)--V (E)--V (E)--V
Eigenvalues -- 1.50357 1.50519 1.50519 1.60199 1.60199
1 1 Si 1S 0.00000 0.00000 -0.00227 0.00000 0.00000
2 2S 0.00000 0.00000 0.01276 0.00000 0.00000
3 3S 0.00000 0.00000 0.01007 0.00000 0.00000
4 4S 0.00000 0.00000 0.11444 0.00000 0.00000
5 5S 0.00000 0.00000 -0.50787 0.00000 0.00000
6 6S 0.00000 0.00000 1.21990 0.00000 0.00000
7 7S 0.00000 0.00000 0.21326 0.00000 0.00000
8 8PX -0.03230 0.00000 0.00000 -0.05953 0.00000
9 8PY 0.00000 0.03230 0.00000 0.00000 -0.05953
10 8PZ 0.00000 0.00000 0.01936 0.00000 0.00000
11 9PX -0.00967 0.00000 0.00000 -0.02688 0.00000
12 9PY 0.00000 0.00967 0.00000 0.00000 -0.02688
13 9PZ 0.00000 0.00000 0.04043 0.00000 0.00000
14 10PX -0.15818 0.00000 0.00000 -0.29928 0.00000
15 10PY 0.00000 0.15818 0.00000 0.00000 -0.29928
16 10PZ 0.00000 0.00000 0.18466 0.00000 0.00000
17 11PX 0.77732 0.00000 0.00000 1.43147 0.00000
18 11PY 0.00000 -0.77732 0.00000 0.00000 1.43147
19 11PZ 0.00000 0.00000 -0.47577 0.00000 0.00000
20 12PX 4.11758 0.00000 0.00000 -3.88807 0.00000
21 12PY 0.00000 -4.11758 0.00000 0.00000 -3.88807
22 12PZ 0.00000 0.00000 -1.11255 0.00000 0.00000
23 13PX 0.48015 0.00000 0.00000 -0.39662 0.00000
24 13PY 0.00000 -0.48015 0.00000 0.00000 -0.39662
25 13PZ 0.00000 0.00000 -0.01961 0.00000 0.00000
26 14D 0 0.00000 0.00000 0.18825 0.00000 0.00000
27 14D+1 -0.91508 0.00000 0.00000 0.79951 0.00000
28 14D-1 0.00000 0.91508 0.00000 0.00000 0.79951
29 14D+2 0.00000 2.81874 0.00000 0.00000 2.01295
30 14D-2 -2.81874 0.00000 0.00000 2.01295 0.00000
31 15D 0 0.00000 0.00000 0.57082 0.00000 0.00000
32 15D+1 -0.46915 0.00000 0.00000 -0.55689 0.00000
33 15D-1 0.00000 0.46915 0.00000 0.00000 -0.55689
34 15D+2 0.00000 1.89204 0.00000 0.00000 -1.04369
35 15D-2 -1.89204 0.00000 0.00000 -1.04369 0.00000
36 16D 0 0.00000 0.00000 -0.10027 0.00000 0.00000
37 16D+1 0.00192 0.00000 0.00000 0.00919 0.00000
38 16D-1 0.00000 -0.00192 0.00000 0.00000 0.00919
39 16D+2 0.00000 -0.11494 0.00000 0.00000 0.14936
40 16D-2 0.11494 0.00000 0.00000 0.14936 0.00000
41 17D 0 0.00000 0.00000 0.00858 0.00000 0.00000
42 17D+1 -0.01015 0.00000 0.00000 -0.01155 0.00000
43 17D-1 0.00000 0.01015 0.00000 0.00000 -0.01155
44 17D+2 0.00000 0.05358 0.00000 0.00000 0.00689
45 17D-2 -0.05358 0.00000 0.00000 0.00689 0.00000
46 18F 0 0.00000 0.00000 -0.62566 0.00000 0.00000
47 18F+1 -0.04039 0.00000 0.00000 1.27055 0.00000
48 18F-1 0.00000 0.04039 0.00000 0.00000 1.27055
49 18F+2 0.00000 -0.95984 0.00000 0.00000 -1.16088
50 18F-2 0.95984 0.00000 0.00000 -1.16088 0.00000
51 18F+3 0.00000 0.00000 0.00000 0.00000 0.00000
52 18F-3 0.00000 0.00000 -0.64496 0.00000 0.00000
53 19F 0 0.00000 0.00000 1.51649 0.00000 0.00000
54 19F+1 -0.36348 0.00000 0.00000 -1.18356 0.00000
55 19F-1 0.00000 0.36348 0.00000 0.00000 -1.18356
56 19F+2 0.00000 -0.55867 0.00000 0.00000 1.49437
57 19F-2 0.55867 0.00000 0.00000 1.49437 0.00000
58 19F+3 0.00000 0.00000 0.00000 0.00000 0.00000
59 19F-3 0.00000 0.00000 1.19693 0.00000 0.00000
60 20F 0 0.00000 0.00000 -0.19498 0.00000 0.00000
61 20F+1 0.02423 0.00000 0.00000 0.13547 0.00000
62 20F-1 0.00000 -0.02423 0.00000 0.00000 0.13547
63 20F+2 0.00000 0.01480 0.00000 0.00000 -0.13011
64 20F-2 -0.01480 0.00000 0.00000 -0.13011 0.00000
65 20F+3 0.00000 0.00000 0.00000 0.00000 0.00000
66 20F-3 0.00000 0.00000 -0.15512 0.00000 0.00000
67 21G 0 0.00000 0.00000 -0.50937 0.00000 0.00000
68 21G+1 0.47185 0.00000 0.00000 0.11679 0.00000
69 21G-1 0.00000 -0.47185 0.00000 0.00000 0.11679
70 21G+2 0.00000 -0.53077 0.00000 0.00000 -0.36906
71 21G-2 0.53077 0.00000 0.00000 -0.36906 0.00000
72 21G+3 0.00000 0.00000 0.00000 0.00000 0.00000
73 21G-3 0.00000 0.00000 0.24344 0.00000 0.00000
74 21G+4 0.00000 0.58500 0.00000 0.00000 -0.02454
75 21G-4 0.58500 0.00000 0.00000 0.02454 0.00000
76 22G 0 0.00000 0.00000 -0.03718 0.00000 0.00000
77 22G+1 -0.06132 0.00000 0.00000 0.04791 0.00000
78 22G-1 0.00000 0.06132 0.00000 0.00000 0.04791
79 22G+2 0.00000 0.04812 0.00000 0.00000 0.09805
80 22G-2 -0.04812 0.00000 0.00000 0.09805 0.00000
81 22G+3 0.00000 0.00000 0.00000 0.00000 0.00000
82 22G-3 0.00000 0.00000 0.03975 0.00000 0.00000
83 22G+4 0.00000 -0.08185 0.00000 0.00000 0.03106
84 22G-4 -0.08185 0.00000 0.00000 -0.03106 0.00000
85 23H 0 0.00000 0.00000 0.02562 0.00000 0.00000
86 23H+1 0.01425 0.00000 0.00000 -0.02307 0.00000
87 23H-1 0.00000 -0.01425 0.00000 0.00000 -0.02307
88 23H+2 0.00000 0.06398 0.00000 0.00000 -0.07544
89 23H-2 -0.06398 0.00000 0.00000 -0.07544 0.00000
90 23H+3 0.00000 0.00000 0.00000 0.00000 0.00000
91 23H-3 0.00000 0.00000 -0.14014 0.00000 0.00000
92 23H+4 0.00000 -0.03411 0.00000 0.00000 -0.03815
93 23H-4 -0.03411 0.00000 0.00000 0.03815 0.00000
94 23H+5 -0.13442 0.00000 0.00000 -0.11520 0.00000
95 23H-5 0.00000 -0.13442 0.00000 0.00000 0.11520
96 2 H 1S 0.00000 0.02423 0.00140 0.00000 -0.02371
97 2S 0.00000 -0.14926 -0.01080 0.00000 0.23308
98 3S 0.00000 1.25773 0.12461 0.00000 -1.97543
99 4S 0.00000 4.74245 -0.60784 0.00000 4.92314
100 5S 0.00000 0.73772 0.01648 0.00000 -0.17815
101 6PX 0.00045 0.00000 0.00000 -0.00541 0.00000
102 6PY 0.00000 0.00206 -0.00090 0.00000 0.00346
103 6PZ 0.00000 0.00108 -0.00404 0.00000 0.00191
104 7PX -0.01358 0.00000 0.00000 0.01150 0.00000
105 7PY 0.00000 0.01129 -0.00031 0.00000 -0.05618
106 7PZ 0.00000 -0.01558 -0.00106 0.00000 0.00421
107 8PX 0.07001 0.00000 0.00000 -0.06708 0.00000
108 8PY 0.00000 -0.20280 -0.03480 0.00000 0.55298
109 8PZ 0.00000 0.12918 0.00588 0.00000 -0.10633
110 9PX 1.44187 0.00000 0.00000 0.08586 0.00000
111 9PY 0.00000 -1.64003 0.36730 0.00000 -0.37972
112 9PZ 0.00000 0.55541 0.59813 0.00000 0.62106
113 10D 0 0.00000 0.02547 -0.00867 0.00000 -0.00271
114 10D+1 -0.01325 0.00000 0.00000 0.02512 0.00000
115 10D-1 0.00000 0.01357 -0.00069 0.00000 -0.00569
116 10D+2 0.00000 -0.01489 0.00419 0.00000 -0.00477
117 10D-2 -0.00055 0.00000 0.00000 0.00408 0.00000
118 11D 0 0.00000 -0.10981 0.02825 0.00000 0.01667
119 11D+1 0.05069 0.00000 0.00000 -0.11192 0.00000
120 11D-1 0.00000 -0.05931 0.01372 0.00000 0.03301
121 11D+2 0.00000 0.05776 -0.02503 0.00000 0.03230
122 11D-2 0.01221 0.00000 0.00000 -0.01012 0.00000
123 12D 0 0.00000 0.25857 0.07499 0.00000 0.10924
124 12D+1 0.00084 0.00000 0.00000 0.45670 0.00000
125 12D-1 0.00000 -0.05198 -0.34354 0.00000 0.06448
126 12D+2 0.00000 -0.37329 0.19547 0.00000 0.24904
127 12D-2 -0.37034 0.00000 0.00000 -0.16365 0.00000
128 13F 0 0.00000 0.00497 0.00214 0.00000 0.00122
129 13F+1 -0.00185 0.00000 0.00000 0.00318 0.00000
130 13F-1 0.00000 -0.00415 0.01070 0.00000 -0.00091
131 13F+2 0.00000 0.00301 0.00643 0.00000 0.00074
132 13F-2 0.00941 0.00000 0.00000 -0.00035 0.00000
133 13F+3 0.00662 0.00000 0.00000 0.00899 0.00000
134 13F-3 0.00000 0.00690 0.00325 0.00000 -0.00204
135 14F 0 0.00000 -0.04015 -0.02071 0.00000 0.00838
136 14F+1 0.00848 0.00000 0.00000 -0.01904 0.00000
137 14F-1 0.00000 0.02178 -0.08362 0.00000 -0.00401
138 14F+2 0.00000 -0.03602 -0.05180 0.00000 0.01818
139 14F-2 -0.07109 0.00000 0.00000 -0.00833 0.00000
140 14F+3 -0.06413 0.00000 0.00000 -0.06676 0.00000
141 14F-3 0.00000 -0.02446 -0.02793 0.00000 -0.01478
142 15G 0 0.00000 -0.00025 -0.00198 0.00000 0.00069
143 15G+1 -0.00012 0.00000 0.00000 0.00027 0.00000
144 15G-1 0.00000 -0.00016 -0.00033 0.00000 -0.00150
145 15G+2 0.00000 -0.00090 -0.00271 0.00000 0.00093
146 15G-2 -0.00057 0.00000 0.00000 -0.00030 0.00000
147 15G+3 -0.00151 0.00000 0.00000 -0.00070 0.00000
148 15G-3 0.00000 0.00146 0.00103 0.00000 -0.00215
149 15G+4 0.00000 0.00060 -0.00081 0.00000 -0.00059
150 15G-4 0.00149 0.00000 0.00000 0.00141 0.00000
151 3 H 1S -0.02098 -0.01211 0.00140 -0.02053 0.01185
152 2S 0.12927 0.07463 -0.01080 0.20185 -0.11654
153 3S -1.08923 -0.62887 0.12461 -1.71077 0.98771
154 4S -4.10708 -2.37123 -0.60784 4.26356 -2.46157
155 5S -0.63888 -0.36886 0.01648 -0.15428 0.08908
156 6PX -0.00143 -0.00109 -0.00078 0.00124 -0.00384
157 6PY 0.00109 0.00018 0.00045 -0.00384 -0.00319
158 6PZ -0.00093 -0.00054 -0.00404 0.00166 -0.00096
159 7PX -0.01186 0.00099 -0.00027 -0.03926 0.02930
160 7PY -0.00099 0.01300 0.00016 0.02930 -0.00542
161 7PZ 0.01349 0.00779 -0.00106 0.00364 -0.00210
162 8PX 0.16960 0.05750 -0.03014 0.39797 -0.26850
163 8PY -0.05750 -0.10321 0.01740 -0.26850 0.08794
164 8PZ -0.11187 -0.06459 0.00588 -0.09208 0.05316
165 9PX 1.59049 0.08581 0.31809 -0.26332 0.20160
166 9PY -0.08581 -1.49141 -0.18365 0.20160 -0.03053
167 9PZ -0.48100 -0.27771 0.59813 0.53785 -0.31053
168 10D 0 -0.02206 -0.01274 -0.00867 -0.00235 0.00136
169 10D+1 -0.01349 -0.00014 -0.00060 0.00201 0.01334
170 10D-1 0.00014 0.01333 0.00035 0.01334 0.01742
171 10D+2 -0.00668 -0.00331 -0.00210 0.00383 0.00187
172 10D-2 0.01103 0.00668 0.00363 -0.00256 0.00383
173 11D 0 0.09510 0.05491 0.02825 0.01444 -0.00834
174 11D+1 0.05716 0.00373 0.01189 -0.00322 -0.06276
175 11D-1 -0.00373 -0.05285 -0.00686 -0.06276 -0.07568
176 11D+2 0.03030 0.00528 0.01252 -0.01837 0.00048
177 11D-2 -0.04027 -0.03030 -0.02168 0.02169 -0.01837
178 12D 0 -0.22393 -0.12929 0.07499 0.09460 -0.05462
179 12D+1 0.03920 0.02215 -0.29751 0.16253 0.16984
180 12D-1 -0.02215 -0.01362 0.17177 0.16984 0.35864
181 12D+2 -0.32200 0.18443 -0.09774 -0.17870 -0.06048
182 12D-2 0.18739 0.32200 0.16929 0.14587 -0.17870
183 13F 0 -0.00430 -0.00248 0.00214 0.00105 -0.00061
184 13F+1 0.00265 0.00260 0.00927 0.00011 0.00177
185 13F-1 -0.00260 0.00035 -0.00535 0.00177 0.00216
186 13F+2 0.00538 -0.00631 -0.00322 -0.00047 -0.00008
187 13F-2 0.00010 -0.00538 0.00557 0.00047 -0.00047
188 13F+3 -0.00331 0.00574 0.00000 -0.00449 -0.00778
189 13F-3 -0.00597 -0.00345 0.00325 -0.00176 0.00102
190 14F 0 0.03477 0.02008 -0.02071 0.00725 -0.00419
191 14F+1 -0.01422 -0.01310 -0.07241 -0.00777 -0.00651
192 14F-1 0.01310 -0.00091 0.04181 -0.00651 -0.01528
193 14F+2 -0.04638 0.04431 0.02590 -0.01148 -0.00170
194 14F-2 0.00924 0.04638 -0.04486 0.01156 -0.01148
195 14F+3 0.03207 -0.05554 0.00000 0.03338 0.05782
196 14F-3 0.02118 0.01223 -0.02793 -0.01280 0.00739
197 15G 0 0.00022 0.00013 -0.00198 0.00059 -0.00034
198 15G+1 0.00009 0.00012 -0.00029 -0.00106 0.00077
199 15G-1 -0.00012 0.00005 0.00017 0.00077 -0.00017
200 15G+2 -0.00064 0.00020 0.00136 -0.00054 0.00001
201 15G-2 0.00053 0.00064 -0.00235 0.00062 -0.00054
202 15G+3 0.00076 -0.00131 0.00000 0.00035 0.00060
203 15G-3 -0.00126 -0.00073 0.00103 -0.00186 0.00107
204 15G+4 -0.00039 0.00126 0.00040 -0.00035 -0.00120
205 15G-4 0.00082 -0.00039 0.00070 0.00080 0.00035
206 4 H 1S 0.02098 -0.01211 0.00140 0.02053 0.01185
207 2S -0.12927 0.07463 -0.01080 -0.20185 -0.11654
208 3S 1.08923 -0.62887 0.12461 1.71077 0.98771
209 4S 4.10708 -2.37123 -0.60784 -4.26356 -2.46157
210 5S 0.63888 -0.36886 0.01648 0.15428 0.08908
211 6PX -0.00143 0.00109 0.00078 0.00124 0.00384
212 6PY -0.00109 0.00018 0.00045 0.00384 -0.00319
213 6PZ 0.00093 -0.00054 -0.00404 -0.00166 -0.00096
214 7PX -0.01186 -0.00099 0.00027 -0.03926 -0.02930
215 7PY 0.00099 0.01300 0.00016 -0.02930 -0.00542
216 7PZ -0.01349 0.00779 -0.00106 -0.00364 -0.00210
217 8PX 0.16960 -0.05750 0.03014 0.39797 0.26850
218 8PY 0.05750 -0.10321 0.01740 0.26850 0.08794
219 8PZ 0.11187 -0.06459 0.00588 0.09208 0.05316
220 9PX 1.59049 -0.08581 -0.31809 -0.26332 -0.20160
221 9PY 0.08581 -1.49141 -0.18365 -0.20160 -0.03053
222 9PZ 0.48100 -0.27771 0.59813 -0.53785 -0.31053
223 10D 0 0.02206 -0.01274 -0.00867 0.00235 0.00136
224 10D+1 -0.01349 0.00014 0.00060 0.00201 -0.01334
225 10D-1 -0.00014 0.01333 0.00035 -0.01334 0.01742
226 10D+2 0.00668 -0.00331 -0.00210 -0.00383 0.00187
227 10D-2 0.01103 -0.00668 -0.00363 -0.00256 -0.00383
228 11D 0 -0.09510 0.05491 0.02825 -0.01444 -0.00834
229 11D+1 0.05716 -0.00373 -0.01189 -0.00322 0.06276
230 11D-1 0.00373 -0.05285 -0.00686 0.06276 -0.07568
231 11D+2 -0.03030 0.00528 0.01252 0.01837 0.00048
232 11D-2 -0.04027 0.03030 0.02168 0.02169 0.01837
233 12D 0 0.22393 -0.12929 0.07499 -0.09460 -0.05462
234 12D+1 0.03920 -0.02215 0.29751 0.16253 -0.16984
235 12D-1 0.02215 -0.01362 0.17177 -0.16984 0.35864
236 12D+2 0.32200 0.18443 -0.09774 0.17870 -0.06048
237 12D-2 0.18739 -0.32200 -0.16929 0.14587 0.17870
238 13F 0 0.00430 -0.00248 0.00214 -0.00105 -0.00061
239 13F+1 0.00265 -0.00260 -0.00927 0.00011 -0.00177
240 13F-1 0.00260 0.00035 -0.00535 -0.00177 0.00216
241 13F+2 -0.00538 -0.00631 -0.00322 0.00047 -0.00008
242 13F-2 0.00010 0.00538 -0.00557 0.00047 0.00047
243 13F+3 -0.00331 -0.00574 0.00000 -0.00449 0.00778
244 13F-3 0.00597 -0.00345 0.00325 0.00176 0.00102
245 14F 0 -0.03477 0.02008 -0.02071 -0.00725 -0.00419
246 14F+1 -0.01422 0.01310 0.07241 -0.00777 0.00651
247 14F-1 -0.01310 -0.00091 0.04181 0.00651 -0.01528
248 14F+2 0.04638 0.04431 0.02590 0.01148 -0.00170
249 14F-2 0.00924 -0.04638 0.04486 0.01156 0.01148
250 14F+3 0.03207 0.05554 0.00000 0.03338 -0.05782
251 14F-3 -0.02118 0.01223 -0.02793 0.01280 0.00739
252 15G 0 -0.00022 0.00013 -0.00198 -0.00059 -0.00034
253 15G+1 0.00009 -0.00012 0.00029 -0.00106 -0.00077
254 15G-1 0.00012 0.00005 0.00017 -0.00077 -0.00017
255 15G+2 0.00064 0.00020 0.00136 0.00054 0.00001
256 15G-2 0.00053 -0.00064 0.00235 0.00062 0.00054
257 15G+3 0.00076 0.00131 0.00000 0.00035 -0.00060
258 15G-3 0.00126 -0.00073 0.00103 0.00186 0.00107
259 15G+4 0.00039 0.00126 0.00040 0.00035 -0.00120
260 15G-4 0.00082 0.00039 -0.00070 0.00080 -0.00035
61 62 63 64 65
(E)--V (E)--V (A1)--V (A1)--V (A2)--V
Eigenvalues -- 1.65566 1.65566 1.67081 1.71414 1.73374
1 1 Si 1S 0.00000 0.00000 0.00128 0.00139 0.00000
2 2S 0.00000 0.00000 -0.01645 -0.04110 0.00000
3 3S 0.00000 0.00000 -0.02945 -0.12856 0.00000
4 4S 0.00000 0.00000 -0.13768 -0.90226 0.00000
5 5S 0.00000 0.00000 -0.99448 2.95253 0.00000
6 6S 0.00000 0.00000 4.19665 0.16576 0.00000
7 7S 0.00000 0.00000 0.77021 -2.52768 0.00000
8 8PX -0.02901 0.00000 0.00000 0.00000 0.00000
9 8PY 0.00000 -0.02901 0.00000 0.00000 0.00000
10 8PZ 0.00000 0.00000 -0.01007 0.00575 0.00000
11 9PX -0.02230 0.00000 0.00000 0.00000 0.00000
12 9PY 0.00000 -0.02230 0.00000 0.00000 0.00000
13 9PZ 0.00000 0.00000 -0.02789 -0.01135 0.00000
14 10PX -0.13231 0.00000 0.00000 0.00000 0.00000
15 10PY 0.00000 -0.13231 0.00000 0.00000 0.00000
16 10PZ 0.00000 0.00000 -0.10875 0.03231 0.00000
17 11PX -0.00385 0.00000 0.00000 0.00000 0.00000
18 11PY 0.00000 -0.00385 0.00000 0.00000 0.00000
19 11PZ 0.00000 0.00000 0.06721 -0.66280 0.00000
20 12PX 6.31706 0.00000 0.00000 0.00000 0.00000
21 12PY 0.00000 6.31706 0.00000 0.00000 0.00000
22 12PZ 0.00000 0.00000 1.26584 0.62831 0.00000
23 13PX 0.56513 0.00000 0.00000 0.00000 0.00000
24 13PY 0.00000 0.56513 0.00000 0.00000 0.00000
25 13PZ 0.00000 0.00000 -0.09272 0.33280 0.00000
26 14D 0 0.00000 0.00000 -1.41419 1.04450 0.00000
27 14D+1 -2.52743 0.00000 0.00000 0.00000 0.00000
28 14D-1 0.00000 -2.52743 0.00000 0.00000 0.00000
29 14D+2 0.00000 -1.80657 0.00000 0.00000 0.00000
30 14D-2 -1.80657 0.00000 0.00000 0.00000 0.00000
31 15D 0 0.00000 0.00000 -1.46134 -0.37823 0.00000
32 15D+1 -1.21673 0.00000 0.00000 0.00000 0.00000
33 15D-1 0.00000 -1.21673 0.00000 0.00000 0.00000
34 15D+2 0.00000 0.43062 0.00000 0.00000 0.00000
35 15D-2 0.43062 0.00000 0.00000 0.00000 0.00000
36 16D 0 0.00000 0.00000 0.11436 -0.05868 0.00000
37 16D+1 0.08573 0.00000 0.00000 0.00000 0.00000
38 16D-1 0.00000 0.08573 0.00000 0.00000 0.00000
39 16D+2 0.00000 -0.13659 0.00000 0.00000 0.00000
40 16D-2 -0.13659 0.00000 0.00000 0.00000 0.00000
41 17D 0 0.00000 0.00000 -0.04874 0.01951 0.00000
42 17D+1 -0.05191 0.00000 0.00000 0.00000 0.00000
43 17D-1 0.00000 -0.05191 0.00000 0.00000 0.00000
44 17D+2 0.00000 -0.01829 0.00000 0.00000 0.00000
45 17D-2 -0.01829 0.00000 0.00000 0.00000 0.00000
46 18F 0 0.00000 0.00000 -0.69362 -1.03820 0.00000
47 18F+1 0.03130 0.00000 0.00000 0.00000 0.00000
48 18F-1 0.00000 0.03130 0.00000 0.00000 0.00000
49 18F+2 0.00000 1.41526 0.00000 0.00000 0.00000
50 18F-2 1.41526 0.00000 0.00000 0.00000 0.00000
51 18F+3 0.00000 0.00000 0.00000 0.00000 2.28963
52 18F-3 0.00000 0.00000 -0.84021 1.90587 0.00000
53 19F 0 0.00000 0.00000 0.59155 0.64714 0.00000
54 19F+1 0.37467 0.00000 0.00000 0.00000 0.00000
55 19F-1 0.00000 0.37467 0.00000 0.00000 0.00000
56 19F+2 0.00000 -0.57239 0.00000 0.00000 0.00000
57 19F-2 -0.57239 0.00000 0.00000 0.00000 0.00000
58 19F+3 0.00000 0.00000 0.00000 0.00000 0.06338
59 19F-3 0.00000 0.00000 -0.90953 -1.15326 0.00000
60 20F 0 0.00000 0.00000 -0.08570 -0.00898 0.00000
61 20F+1 -0.03046 0.00000 0.00000 0.00000 0.00000
62 20F-1 0.00000 -0.03046 0.00000 0.00000 0.00000
63 20F+2 0.00000 0.05661 0.00000 0.00000 0.00000
64 20F-2 0.05661 0.00000 0.00000 0.00000 0.00000
65 20F+3 0.00000 0.00000 0.00000 0.00000 0.01584
66 20F-3 0.00000 0.00000 0.05747 0.00687 0.00000
67 21G 0 0.00000 0.00000 1.63868 -0.50187 0.00000
68 21G+1 1.06040 0.00000 0.00000 0.00000 0.00000
69 21G-1 0.00000 1.06040 0.00000 0.00000 0.00000
70 21G+2 0.00000 -0.79804 0.00000 0.00000 0.00000
71 21G-2 -0.79804 0.00000 0.00000 0.00000 0.00000
72 21G+3 0.00000 0.00000 0.00000 0.00000 -0.87882
73 21G-3 0.00000 0.00000 -0.46746 -1.03942 0.00000
74 21G+4 0.00000 0.85889 0.00000 0.00000 0.00000
75 21G-4 -0.85889 0.00000 0.00000 0.00000 0.00000
76 22G 0 0.00000 0.00000 -0.12669 0.11006 0.00000
77 22G+1 -0.12110 0.00000 0.00000 0.00000 0.00000
78 22G-1 0.00000 -0.12110 0.00000 0.00000 0.00000
79 22G+2 0.00000 0.05563 0.00000 0.00000 0.00000
80 22G-2 0.05563 0.00000 0.00000 0.00000 0.00000
81 22G+3 0.00000 0.00000 0.00000 0.00000 0.09939
82 22G-3 0.00000 0.00000 0.03518 0.18368 0.00000
83 22G+4 0.00000 -0.00112 0.00000 0.00000 0.00000
84 22G-4 0.00112 0.00000 0.00000 0.00000 0.00000
85 23H 0 0.00000 0.00000 -0.06177 0.01770 0.00000
86 23H+1 -0.07432 0.00000 0.00000 0.00000 0.00000
87 23H-1 0.00000 -0.07432 0.00000 0.00000 0.00000
88 23H+2 0.00000 0.03125 0.00000 0.00000 0.00000
89 23H-2 0.03125 0.00000 0.00000 0.00000 0.00000
90 23H+3 0.00000 0.00000 0.00000 0.00000 -0.03339
91 23H-3 0.00000 0.00000 0.19888 0.01864 0.00000
92 23H+4 0.00000 -0.17423 0.00000 0.00000 0.00000
93 23H-4 0.17423 0.00000 0.00000 0.00000 0.00000
94 23H+5 0.13165 0.00000 0.00000 0.00000 0.00000
95 23H-5 0.00000 -0.13165 0.00000 0.00000 0.00000
96 2 H 1S 0.00000 -0.00045 -0.01340 -0.00949 0.00000
97 2S 0.00000 0.01333 0.10692 0.07585 0.00000
98 3S 0.00000 -0.76717 -0.92056 0.34430 0.00000
99 4S 0.00000 -5.32508 -1.05118 0.35849 0.00000
100 5S 0.00000 -0.59332 -0.25180 0.31568 0.00000
101 6PX -0.00069 0.00000 0.00000 0.00000 -0.00269
102 6PY 0.00000 -0.00256 -0.00124 -0.00333 0.00000
103 6PZ 0.00000 0.00358 -0.00319 0.00443 0.00000
104 7PX 0.03219 0.00000 0.00000 0.00000 0.00777
105 7PY 0.00000 0.00706 -0.00255 0.00016 0.00000
106 7PZ 0.00000 -0.02583 0.03822 -0.00999 0.00000
107 8PX -0.16236 0.00000 0.00000 0.00000 -0.04706
108 8PY 0.00000 0.09758 0.12114 -0.10570 0.00000
109 8PZ 0.00000 0.07903 -0.22228 0.07854 0.00000
110 9PX -1.03569 0.00000 0.00000 0.00000 1.62563
111 9PY 0.00000 1.50667 0.03953 1.02672 0.00000
112 9PZ 0.00000 0.97077 -1.65603 -0.29076 0.00000
113 10D 0 0.00000 -0.01228 -0.00375 -0.00257 0.00000
114 10D+1 0.01552 0.00000 0.00000 0.00000 0.03638
115 10D-1 0.00000 -0.00501 -0.00021 0.00179 0.00000
116 10D+2 0.00000 0.00239 0.00001 -0.00008 0.00000
117 10D-2 0.00388 0.00000 0.00000 0.00000 0.00897
118 11D 0 0.00000 0.05154 0.02453 0.00830 0.00000
119 11D+1 -0.06028 0.00000 0.00000 0.00000 -0.16500
120 11D-1 0.00000 0.03162 -0.00871 -0.01605 0.00000
121 11D+2 0.00000 -0.01144 0.01048 -0.00932 0.00000
122 11D-2 -0.03305 0.00000 0.00000 0.00000 -0.03250
123 12D 0 0.00000 -0.01610 -0.25328 0.03191 0.00000
124 12D+1 -0.01992 0.00000 0.00000 0.00000 0.63615
125 12D-1 0.00000 -0.37761 0.49999 0.22753 0.00000
126 12D+2 0.00000 0.13712 -0.07673 0.21512 0.00000
127 12D-2 0.68114 0.00000 0.00000 0.00000 -0.02709
128 13F 0 0.00000 0.00092 -0.00322 -0.00167 0.00000
129 13F+1 0.00019 0.00000 0.00000 0.00000 0.00419
130 13F-1 0.00000 0.00653 -0.00649 -0.00030 0.00000
131 13F+2 0.00000 0.00271 -0.00454 -0.00254 0.00000
132 13F-2 -0.01141 0.00000 0.00000 0.00000 -0.00130
133 13F+3 -0.01063 0.00000 0.00000 0.00000 0.00525
134 13F-3 0.00000 0.00252 -0.00660 0.00217 0.00000
135 14F 0 0.00000 -0.01384 0.03533 0.01725 0.00000
136 14F+1 0.00787 0.00000 0.00000 0.00000 -0.02313
137 14F-1 0.00000 -0.05786 0.05607 -0.00283 0.00000
138 14F+2 0.00000 -0.03157 0.04835 0.02929 0.00000
139 14F-2 0.08872 0.00000 0.00000 0.00000 0.00579
140 14F+3 0.10877 0.00000 0.00000 0.00000 -0.03061
141 14F-3 0.00000 -0.02148 0.04502 -0.02797 0.00000
142 15G 0 0.00000 -0.00075 0.00049 -0.00084 0.00000
143 15G+1 0.00117 0.00000 0.00000 0.00000 -0.00022
144 15G-1 0.00000 -0.00001 -0.00145 -0.00035 0.00000
145 15G+2 0.00000 -0.00126 0.00060 -0.00003 0.00000
146 15G-2 -0.00234 0.00000 0.00000 0.00000 -0.00026
147 15G+3 0.00225 0.00000 0.00000 0.00000 0.00023
148 15G-3 0.00000 0.00032 -0.00011 -0.00278 0.00000
149 15G+4 0.00000 -0.00087 0.00198 -0.00154 0.00000
150 15G-4 -0.00414 0.00000 0.00000 0.00000 -0.00164
151 3 H 1S -0.00039 0.00023 -0.01340 -0.00949 0.00000
152 2S 0.01155 -0.00667 0.10692 0.07585 0.00000
153 3S -0.66439 0.38359 -0.92056 0.34430 0.00000
154 4S -4.61165 2.66254 -1.05118 0.35849 0.00000
155 5S -0.51383 0.29666 -0.25180 0.31568 0.00000
156 6PX -0.00209 0.00081 -0.00108 -0.00288 0.00134
157 6PY 0.00081 -0.00115 0.00062 0.00166 0.00233
158 6PZ 0.00310 -0.00179 -0.00319 0.00443 0.00000
159 7PX 0.01334 0.01088 -0.00221 0.00014 -0.00388
160 7PY 0.01088 0.02591 0.00127 -0.00008 -0.00673
161 7PZ -0.02237 0.01291 0.03822 -0.00999 0.00000
162 8PX 0.03259 -0.11256 0.10491 -0.09154 0.02353
163 8PY -0.11256 -0.09738 -0.06057 0.05285 0.04076
164 8PZ 0.06844 -0.03952 -0.22228 0.07854 0.00000
165 9PX 0.87108 -1.10087 0.03424 0.88917 -0.81281
166 9PY -1.10087 -0.40010 -0.01977 -0.51336 -1.40784
167 9PZ 0.84071 -0.48539 -1.65603 -0.29076 0.00000
168 10D 0 -0.01063 0.00614 -0.00375 -0.00257 0.00000
169 10D+1 0.00012 0.00889 -0.00018 0.00155 -0.01819
170 10D-1 0.00889 0.01039 0.00010 -0.00089 -0.03150
171 10D+2 0.00065 0.00351 0.00000 0.00004 -0.00777
172 10D-2 0.00276 0.00065 0.00001 -0.00007 -0.00449
173 11D 0 0.04463 -0.02577 0.02453 0.00830 0.00000
174 11D+1 0.00865 -0.03980 -0.00755 -0.01390 0.08250
175 11D-1 -0.03980 -0.03731 0.00436 0.00803 0.14289
176 11D+2 -0.00936 -0.02765 -0.00524 0.00466 0.02815
177 11D-2 -0.01684 -0.00936 0.00908 -0.00807 0.01625
178 12D 0 -0.01394 0.00805 -0.25328 0.03191 0.00000
179 12D+1 -0.28819 0.15488 0.43300 0.19705 -0.31807
180 12D-1 0.15488 -0.10935 -0.24999 -0.11377 -0.55092
181 12D+2 0.23557 0.54513 0.03837 -0.10756 0.02346
182 12D-2 0.27313 0.23557 -0.06645 0.18630 0.01354
183 13F 0 0.00080 -0.00046 -0.00322 -0.00167 0.00000
184 13F+1 0.00495 -0.00274 -0.00562 -0.00026 -0.00209
185 13F-1 -0.00274 0.00178 0.00325 0.00015 -0.00363
186 13F+2 -0.00612 -0.00788 0.00227 0.00127 0.00113
187 13F-2 -0.00082 -0.00612 -0.00394 -0.00220 0.00065
188 13F+3 0.00531 0.00921 0.00000 0.00000 0.00525
189 13F-3 0.00218 -0.00126 -0.00660 0.00217 0.00000
190 14F 0 -0.01199 0.00692 0.03533 0.01725 0.00000
191 14F+1 -0.04143 0.02846 0.04856 -0.00245 0.01157
192 14F-1 0.02846 -0.00856 -0.02804 0.00141 0.02003
193 14F+2 0.05209 0.05864 -0.02418 -0.01465 -0.00502
194 14F-2 -0.00150 0.05209 0.04188 0.02537 -0.00290
195 14F+3 -0.05439 -0.09420 0.00000 0.00000 -0.03061
196 14F-3 -0.01860 0.01074 0.04502 -0.02797 0.00000
197 15G 0 -0.00065 0.00037 0.00049 -0.00084 0.00000
198 15G+1 0.00029 0.00051 -0.00126 -0.00030 0.00011
199 15G-1 0.00051 0.00088 0.00073 0.00017 0.00019
200 15G+2 -0.00047 -0.00207 -0.00030 0.00002 0.00023
201 15G-2 -0.00153 -0.00047 0.00052 -0.00003 0.00013
202 15G+3 -0.00112 -0.00195 0.00000 0.00000 0.00023
203 15G-3 0.00028 -0.00016 -0.00011 -0.00278 0.00000
204 15G+4 0.00217 0.00289 -0.00099 0.00077 -0.00142
205 15G-4 -0.00038 -0.00217 -0.00171 0.00133 0.00082
206 4 H 1S 0.00039 0.00023 -0.01340 -0.00949 0.00000
207 2S -0.01155 -0.00667 0.10692 0.07585 0.00000
208 3S 0.66439 0.38359 -0.92056 0.34430 0.00000
209 4S 4.61165 2.66254 -1.05118 0.35849 0.00000
210 5S 0.51383 0.29666 -0.25180 0.31568 0.00000
211 6PX -0.00209 -0.00081 0.00108 0.00288 0.00134
212 6PY -0.00081 -0.00115 0.00062 0.00166 -0.00233
213 6PZ -0.00310 -0.00179 -0.00319 0.00443 0.00000
214 7PX 0.01334 -0.01088 0.00221 -0.00014 -0.00388
215 7PY -0.01088 0.02591 0.00127 -0.00008 0.00673
216 7PZ 0.02237 0.01291 0.03822 -0.00999 0.00000
217 8PX 0.03259 0.11256 -0.10491 0.09154 0.02353
218 8PY 0.11256 -0.09738 -0.06057 0.05285 -0.04076
219 8PZ -0.06844 -0.03952 -0.22228 0.07854 0.00000
220 9PX 0.87108 1.10087 -0.03424 -0.88917 -0.81281
221 9PY 1.10087 -0.40010 -0.01977 -0.51336 1.40784
222 9PZ -0.84071 -0.48539 -1.65603 -0.29076 0.00000
223 10D 0 0.01063 0.00614 -0.00375 -0.00257 0.00000
224 10D+1 0.00012 -0.00889 0.00018 -0.00155 -0.01819
225 10D-1 -0.00889 0.01039 0.00010 -0.00089 0.03150
226 10D+2 -0.00065 0.00351 0.00000 0.00004 0.00777
227 10D-2 0.00276 -0.00065 -0.00001 0.00007 -0.00449
228 11D 0 -0.04463 -0.02577 0.02453 0.00830 0.00000
229 11D+1 0.00865 0.03980 0.00755 0.01390 0.08250
230 11D-1 0.03980 -0.03731 0.00436 0.00803 -0.14289
231 11D+2 0.00936 -0.02765 -0.00524 0.00466 -0.02815
232 11D-2 -0.01684 0.00936 -0.00908 0.00807 0.01625
233 12D 0 0.01394 0.00805 -0.25328 0.03191 0.00000
234 12D+1 -0.28819 -0.15488 -0.43300 -0.19705 -0.31807
235 12D-1 -0.15488 -0.10935 -0.24999 -0.11377 0.55092
236 12D+2 -0.23557 0.54513 0.03837 -0.10756 -0.02346
237 12D-2 0.27313 -0.23557 0.06645 -0.18630 0.01354
238 13F 0 -0.00080 -0.00046 -0.00322 -0.00167 0.00000
239 13F+1 0.00495 0.00274 0.00562 0.00026 -0.00209
240 13F-1 0.00274 0.00178 0.00325 0.00015 0.00363
241 13F+2 0.00612 -0.00788 0.00227 0.00127 -0.00113
242 13F-2 -0.00082 0.00612 0.00394 0.00220 0.00065
243 13F+3 0.00531 -0.00921 0.00000 0.00000 0.00525
244 13F-3 -0.00218 -0.00126 -0.00660 0.00217 0.00000
245 14F 0 0.01199 0.00692 0.03533 0.01725 0.00000
246 14F+1 -0.04143 -0.02846 -0.04856 0.00245 0.01157
247 14F-1 -0.02846 -0.00856 -0.02804 0.00141 -0.02003
248 14F+2 -0.05209 0.05864 -0.02418 -0.01465 0.00502
249 14F-2 -0.00150 -0.05209 -0.04188 -0.02537 -0.00290
250 14F+3 -0.05439 0.09420 0.00000 0.00000 -0.03061
251 14F-3 0.01860 0.01074 0.04502 -0.02797 0.00000
252 15G 0 0.00065 0.00037 0.00049 -0.00084 0.00000
253 15G+1 0.00029 -0.00051 0.00126 0.00030 0.00011
254 15G-1 -0.00051 0.00088 0.00073 0.00017 -0.00019
255 15G+2 0.00047 -0.00207 -0.00030 0.00002 -0.00023
256 15G-2 -0.00153 0.00047 -0.00052 0.00003 0.00013
257 15G+3 -0.00112 0.00195 0.00000 0.00000 0.00023
258 15G-3 -0.00028 -0.00016 -0.00011 -0.00278 0.00000
259 15G+4 -0.00217 0.00289 -0.00099 0.00077 0.00142
260 15G-4 -0.00038 0.00217 0.00171 -0.00133 0.00082
66 67 68 69 70
(E)--V (E)--V (A1)--V (A2)--V (E)--V
Eigenvalues -- 1.76341 1.76341 1.80089 1.86969 1.95071
1 1 Si 1S 0.00000 0.00000 0.01651 0.00000 0.00000
2 2S 0.00000 0.00000 -0.04314 0.00000 0.00000
3 3S 0.00000 0.00000 0.08008 0.00000 0.00000
4 4S 0.00000 0.00000 0.23038 0.00000 0.00000
5 5S 0.00000 0.00000 -4.73509 0.00000 0.00000
6 6S 0.00000 0.00000 11.10162 0.00000 0.00000
7 7S 0.00000 0.00000 0.22564 0.00000 0.00000
8 8PX 0.11062 0.00000 0.00000 0.00000 0.03090
9 8PY 0.00000 0.11062 0.00000 0.00000 0.00000
10 8PZ 0.00000 0.00000 0.09176 0.00000 0.00000
11 9PX 0.04344 0.00000 0.00000 0.00000 0.01168
12 9PY 0.00000 0.04344 0.00000 0.00000 0.00000
13 9PZ 0.00000 0.00000 0.01668 0.00000 0.00000
14 10PX 0.44771 0.00000 0.00000 0.00000 0.10569
15 10PY 0.00000 0.44771 0.00000 0.00000 0.00000
16 10PZ 0.00000 0.00000 0.28267 0.00000 0.00000
17 11PX -1.13132 0.00000 0.00000 0.00000 -0.09788
18 11PY 0.00000 -1.13132 0.00000 0.00000 0.00000
19 11PZ 0.00000 0.00000 -0.74970 0.00000 0.00000
20 12PX -2.39127 0.00000 0.00000 0.00000 -1.21033
21 12PY 0.00000 -2.39127 0.00000 0.00000 0.00000
22 12PZ 0.00000 0.00000 -3.79057 0.00000 0.00000
23 13PX 0.22704 0.00000 0.00000 0.00000 -0.15730
24 13PY 0.00000 0.22704 0.00000 0.00000 0.00000
25 13PZ 0.00000 0.00000 0.21511 0.00000 0.00000
26 14D 0 0.00000 0.00000 -0.69348 0.00000 0.00000
27 14D+1 -0.66045 0.00000 0.00000 0.00000 0.72793
28 14D-1 0.00000 -0.66045 0.00000 0.00000 0.00000
29 14D+2 0.00000 -0.49839 0.00000 0.00000 0.00000
30 14D-2 -0.49839 0.00000 0.00000 0.00000 0.63184
31 15D 0 0.00000 0.00000 -1.10989 0.00000 0.00000
32 15D+1 0.35421 0.00000 0.00000 0.00000 0.88348
33 15D-1 0.00000 0.35421 0.00000 0.00000 0.00000
34 15D+2 0.00000 0.66966 0.00000 0.00000 0.00000
35 15D-2 0.66966 0.00000 0.00000 0.00000 0.46823
36 16D 0 0.00000 0.00000 -0.01179 0.00000 0.00000
37 16D+1 -0.09077 0.00000 0.00000 0.00000 -0.09304
38 16D-1 0.00000 -0.09077 0.00000 0.00000 0.00000
39 16D+2 0.00000 -0.09665 0.00000 0.00000 0.00000
40 16D-2 -0.09665 0.00000 0.00000 0.00000 -0.08824
41 17D 0 0.00000 0.00000 -0.08078 0.00000 0.00000
42 17D+1 0.01135 0.00000 0.00000 0.00000 0.03037
43 17D-1 0.00000 0.01135 0.00000 0.00000 0.00000
44 17D+2 0.00000 0.02743 0.00000 0.00000 0.00000
45 17D-2 0.02743 0.00000 0.00000 0.00000 0.01645
46 18F 0 0.00000 0.00000 0.83410 0.00000 0.00000
47 18F+1 1.10829 0.00000 0.00000 0.00000 0.00947
48 18F-1 0.00000 1.10829 0.00000 0.00000 0.00000
49 18F+2 0.00000 1.24314 0.00000 0.00000 0.00000
50 18F-2 1.24314 0.00000 0.00000 0.00000 -0.78809
51 18F+3 0.00000 0.00000 0.00000 2.11164 0.00000
52 18F-3 0.00000 0.00000 -0.42709 0.00000 0.00000
53 19F 0 0.00000 0.00000 1.85198 0.00000 0.00000
54 19F+1 0.80347 0.00000 0.00000 0.00000 0.34340
55 19F-1 0.00000 0.80347 0.00000 0.00000 0.00000
56 19F+2 0.00000 -0.52665 0.00000 0.00000 0.00000
57 19F-2 -0.52665 0.00000 0.00000 0.00000 -0.86903
58 19F+3 0.00000 0.00000 0.00000 1.18796 0.00000
59 19F-3 0.00000 0.00000 -2.39050 0.00000 0.00000
60 20F 0 0.00000 0.00000 -0.25544 0.00000 0.00000
61 20F+1 -0.07087 0.00000 0.00000 0.00000 -0.06493
62 20F-1 0.00000 -0.07087 0.00000 0.00000 0.00000
63 20F+2 0.00000 0.06653 0.00000 0.00000 0.00000
64 20F-2 0.06653 0.00000 0.00000 0.00000 0.10113
65 20F+3 0.00000 0.00000 0.00000 -0.08767 0.00000
66 20F-3 0.00000 0.00000 0.35632 0.00000 0.00000
67 21G 0 0.00000 0.00000 -0.26564 0.00000 0.00000
68 21G+1 -0.47880 0.00000 0.00000 0.00000 -1.11941
69 21G-1 0.00000 -0.47880 0.00000 0.00000 0.00000
70 21G+2 0.00000 -1.19018 0.00000 0.00000 0.00000
71 21G-2 -1.19018 0.00000 0.00000 0.00000 0.29398
72 21G+3 0.00000 0.00000 0.00000 -2.25372 0.00000
73 21G-3 0.00000 0.00000 1.91855 0.00000 0.00000
74 21G+4 0.00000 -1.99998 0.00000 0.00000 0.00000
75 21G-4 1.99998 0.00000 0.00000 0.00000 -0.16150
76 22G 0 0.00000 0.00000 -0.02309 0.00000 0.00000
77 22G+1 -0.02723 0.00000 0.00000 0.00000 0.09159
78 22G-1 0.00000 -0.02723 0.00000 0.00000 0.00000
79 22G+2 0.00000 0.09209 0.00000 0.00000 0.00000
80 22G-2 0.09209 0.00000 0.00000 0.00000 0.00262
81 22G+3 0.00000 0.00000 0.00000 0.10664 0.00000
82 22G-3 0.00000 0.00000 -0.06201 0.00000 0.00000
83 22G+4 0.00000 0.06253 0.00000 0.00000 0.00000
84 22G-4 -0.06253 0.00000 0.00000 0.00000 0.03381
85 23H 0 0.00000 0.00000 -0.13089 0.00000 0.00000
86 23H+1 -0.07177 0.00000 0.00000 0.00000 0.07022
87 23H-1 0.00000 -0.07177 0.00000 0.00000 0.00000
88 23H+2 0.00000 0.05354 0.00000 0.00000 0.00000
89 23H-2 0.05354 0.00000 0.00000 0.00000 0.06978
90 23H+3 0.00000 0.00000 0.00000 0.09692 0.00000
91 23H-3 0.00000 0.00000 -0.07752 0.00000 0.00000
92 23H+4 0.00000 0.19563 0.00000 0.00000 0.00000
93 23H-4 -0.19563 0.00000 0.00000 0.00000 -0.04542
94 23H+5 0.05747 0.00000 0.00000 0.00000 -0.01853
95 23H-5 0.00000 -0.05747 0.00000 0.00000 0.00000
96 2 H 1S 0.00000 0.00925 -0.01937 0.00000 0.00000
97 2S 0.00000 -0.24957 0.29280 0.00000 0.00000
98 3S 0.00000 3.16088 -3.52281 0.00000 0.00000
99 4S 0.00000 -1.68392 -1.40495 0.00000 0.00000
100 5S 0.00000 0.32789 -0.23114 0.00000 0.00000
101 6PX 0.00585 0.00000 0.00000 0.00746 -0.00033
102 6PY 0.00000 0.00090 0.00060 0.00000 0.00000
103 6PZ 0.00000 0.00563 -0.00151 0.00000 0.00000
104 7PX -0.04867 0.00000 0.00000 -0.05792 0.00156
105 7PY 0.00000 0.03061 -0.04324 0.00000 0.00000
106 7PZ 0.00000 -0.05463 0.00583 0.00000 0.00000
107 8PX 0.24676 0.00000 0.00000 0.22687 0.01628
108 8PY 0.00000 -0.72894 0.76417 0.00000 0.00000
109 8PZ 0.00000 0.43302 -0.19511 0.00000 0.00000
110 9PX 1.63156 0.00000 0.00000 2.29549 -0.30596
111 9PY 0.00000 1.02134 0.78670 0.00000 0.00000
112 9PZ 0.00000 1.74566 0.65423 0.00000 0.00000
113 10D 0 0.00000 0.01013 0.01151 0.00000 0.00000
114 10D+1 0.00128 0.00000 0.00000 -0.01790 0.03365
115 10D-1 0.00000 -0.00042 -0.00129 0.00000 0.00000
116 10D+2 0.00000 0.01940 -0.01944 0.00000 0.00000
117 10D-2 -0.00549 0.00000 0.00000 -0.03267 0.01330
118 11D 0 0.00000 -0.06840 -0.04651 0.00000 0.00000
119 11D+1 -0.00926 0.00000 0.00000 0.08547 -0.15631
120 11D-1 0.00000 0.00017 0.02824 0.00000 0.00000
121 11D+2 0.00000 -0.11158 0.10718 0.00000 0.00000
122 11D-2 0.04131 0.00000 0.00000 0.17938 -0.06535
123 12D 0 0.00000 0.37283 0.39859 0.00000 0.00000
124 12D+1 0.14457 0.00000 0.00000 -0.27777 0.61746
125 12D-1 0.00000 -0.50544 -0.21004 0.00000 0.00000
126 12D+2 0.00000 0.19925 -0.13625 0.00000 0.00000
127 12D-2 -0.62591 0.00000 0.00000 -1.28612 0.28365
128 13F 0 0.00000 -0.00121 0.00534 0.00000 0.00000
129 13F+1 0.00121 0.00000 0.00000 0.00522 -0.00509
130 13F-1 0.00000 0.01005 -0.00051 0.00000 0.00000
131 13F+2 0.00000 0.00144 0.01089 0.00000 0.00000
132 13F-2 0.00223 0.00000 0.00000 -0.00386 -0.00446
133 13F+3 0.00797 0.00000 0.00000 0.01472 0.00094
134 13F-3 0.00000 0.00025 -0.00257 0.00000 0.00000
135 14F 0 0.00000 -0.00650 -0.03390 0.00000 0.00000
136 14F+1 -0.01271 0.00000 0.00000 -0.04334 0.02717
137 14F-1 0.00000 -0.06139 -0.00938 0.00000 0.00000
138 14F+2 0.00000 -0.03347 -0.07144 0.00000 0.00000
139 14F-2 -0.01881 0.00000 0.00000 0.02596 0.02155
140 14F+3 -0.07161 0.00000 0.00000 -0.11238 -0.00459
141 14F-3 0.00000 0.02305 0.01401 0.00000 0.00000
142 15G 0 0.00000 0.00042 0.00016 0.00000 0.00000
143 15G+1 0.00056 0.00000 0.00000 0.00027 -0.00041
144 15G-1 0.00000 -0.00010 0.00092 0.00000 0.00000
145 15G+2 0.00000 0.00104 -0.00053 0.00000 0.00000
146 15G-2 0.00036 0.00000 0.00000 0.00334 -0.00025
147 15G+3 0.00091 0.00000 0.00000 0.00325 -0.00098
148 15G-3 0.00000 0.00115 0.00375 0.00000 0.00000
149 15G+4 0.00000 0.00343 0.00196 0.00000 0.00000
150 15G-4 0.00254 0.00000 0.00000 0.00152 0.00027
151 3 H 1S 0.00801 -0.00462 -0.01937 0.00000 0.00995
152 2S -0.21614 0.12479 0.29280 0.00000 -0.15918
153 3S 2.73740 -1.58044 -3.52281 0.00000 1.54226
154 4S -1.45832 0.84196 -1.40495 0.00000 0.26229
155 5S 0.28396 -0.16395 -0.23114 0.00000 0.31262
156 6PX 0.00214 0.00214 0.00052 -0.00373 -0.00200
157 6PY 0.00214 0.00461 -0.00030 -0.00646 0.00096
158 6PZ 0.00488 -0.00282 -0.00151 0.00000 -0.00045
159 7PX 0.01079 -0.03433 -0.03745 0.02896 0.02775
160 7PY -0.03433 -0.02885 0.02162 0.05016 -0.01512
161 7PZ -0.04731 0.02731 0.00583 0.00000 0.00505
162 8PX -0.48502 0.42249 0.66179 -0.11343 -0.30649
163 8PY 0.42249 0.00283 -0.38208 -0.19647 0.18635
164 8PZ 0.37501 -0.21651 -0.19511 0.00000 0.06000
165 9PX 1.17389 0.26424 0.68130 -1.14774 -0.20072
166 9PY 0.26424 1.47901 -0.39335 -1.98795 -0.06076
167 9PZ 1.51178 -0.87283 0.65423 0.00000 -0.77682
168 10D 0 0.00878 -0.00507 0.01151 0.00000 -0.03798
169 10D+1 0.00001 0.00074 -0.00112 0.00895 0.00554
170 10D-1 0.00074 0.00086 0.00064 0.01551 0.01623
171 10D+2 -0.01078 0.00074 0.00972 0.02830 -0.00671
172 10D-2 0.01318 -0.01078 -0.01683 0.01634 0.02492
173 11D 0 -0.05923 0.03420 -0.04651 0.00000 0.18121
174 11D+1 -0.00219 -0.00408 0.02446 -0.04273 -0.03630
175 11D-1 -0.00408 -0.00690 -0.01412 -0.07402 -0.06929
176 11D+2 0.06620 0.00308 -0.05359 -0.15535 0.03498
177 11D-2 -0.07336 0.06620 0.09282 -0.08969 -0.12594
178 12D 0 0.32288 -0.18642 0.39859 0.00000 -0.94471
179 12D+1 -0.34294 0.28146 -0.18190 0.13889 0.23598
180 12D-1 0.28146 -0.01793 0.10502 0.24056 0.22025
181 12D+2 -0.35730 -0.41962 0.06812 1.11381 -0.05219
182 12D-2 -0.00704 -0.35730 -0.11799 0.64306 0.37404
183 13F 0 -0.00104 0.00060 0.00534 0.00000 -0.00179
184 13F+1 0.00784 -0.00383 -0.00044 -0.00261 -0.00498
185 13F-1 -0.00383 0.00342 0.00025 -0.00452 -0.00006
186 13F+2 0.00034 0.00204 -0.00545 0.00334 0.00038
187 13F-2 0.00164 0.00034 0.00943 0.00193 -0.00512
188 13F+3 -0.00398 -0.00690 0.00000 0.01472 -0.00047
189 13F-3 0.00022 -0.00013 -0.00257 0.00000 0.00549
190 14F 0 -0.00563 0.00325 -0.03390 0.00000 0.00742
191 14F+1 -0.04922 0.02108 -0.00812 0.02167 0.04755
192 14F-1 0.02108 -0.02488 0.00469 0.03753 -0.01176
193 14F+2 0.00635 -0.02247 0.03572 -0.02249 -0.00615
194 14F-2 -0.02980 0.00635 -0.06187 -0.01298 0.03221
195 14F+3 0.03581 0.06202 0.00000 -0.11238 0.00229
196 14F-3 0.01997 -0.01153 0.01401 0.00000 -0.02916
197 15G 0 0.00036 -0.00021 0.00016 0.00000 0.00142
198 15G+1 0.00007 0.00028 0.00080 -0.00013 0.00086
199 15G-1 0.00028 0.00040 -0.00046 -0.00023 -0.00074
200 15G+2 -0.00030 0.00053 0.00027 -0.00289 -0.00090
201 15G-2 0.00087 -0.00030 -0.00046 -0.00167 0.00132
202 15G+3 -0.00045 -0.00079 0.00000 0.00325 0.00049
203 15G-3 0.00100 -0.00057 0.00375 0.00000 -0.00094
204 15G+4 -0.00258 -0.00105 -0.00098 0.00132 0.00099
205 15G-4 -0.00194 0.00258 -0.00170 -0.00076 0.00199
206 4 H 1S -0.00801 -0.00462 -0.01937 0.00000 -0.00995
207 2S 0.21614 0.12479 0.29280 0.00000 0.15918
208 3S -2.73740 -1.58044 -3.52281 0.00000 -1.54226
209 4S 1.45832 0.84196 -1.40495 0.00000 -0.26229
210 5S -0.28396 -0.16395 -0.23114 0.00000 -0.31262
211 6PX 0.00214 -0.00214 -0.00052 -0.00373 -0.00200
212 6PY -0.00214 0.00461 -0.00030 0.00646 -0.00096
213 6PZ -0.00488 -0.00282 -0.00151 0.00000 0.00045
214 7PX 0.01079 0.03433 0.03745 0.02896 0.02775
215 7PY 0.03433 -0.02885 0.02162 -0.05016 0.01512
216 7PZ 0.04731 0.02731 0.00583 0.00000 -0.00505
217 8PX -0.48502 -0.42249 -0.66179 -0.11343 -0.30649
218 8PY -0.42249 0.00283 -0.38208 0.19647 -0.18635
219 8PZ -0.37501 -0.21651 -0.19511 0.00000 -0.06000
220 9PX 1.17389 -0.26424 -0.68130 -1.14774 -0.20072
221 9PY -0.26424 1.47901 -0.39335 1.98795 0.06076
222 9PZ -1.51178 -0.87283 0.65423 0.00000 0.77682
223 10D 0 -0.00878 -0.00507 0.01151 0.00000 0.03798
224 10D+1 0.00001 -0.00074 0.00112 0.00895 0.00554
225 10D-1 -0.00074 0.00086 0.00064 -0.01551 -0.01623
226 10D+2 0.01078 0.00074 0.00972 -0.02830 0.00671
227 10D-2 0.01318 0.01078 0.01683 0.01634 0.02492
228 11D 0 0.05923 0.03420 -0.04651 0.00000 -0.18121
229 11D+1 -0.00219 0.00408 -0.02446 -0.04273 -0.03630
230 11D-1 0.00408 -0.00690 -0.01412 0.07402 0.06929
231 11D+2 -0.06620 0.00308 -0.05359 0.15535 -0.03498
232 11D-2 -0.07336 -0.06620 -0.09282 -0.08969 -0.12594
233 12D 0 -0.32288 -0.18642 0.39859 0.00000 0.94471
234 12D+1 -0.34294 -0.28146 0.18190 0.13889 0.23598
235 12D-1 -0.28146 -0.01793 0.10502 -0.24056 -0.22025
236 12D+2 0.35730 -0.41962 0.06812 -1.11381 0.05219
237 12D-2 -0.00704 0.35730 0.11799 0.64306 0.37404
238 13F 0 0.00104 0.00060 0.00534 0.00000 0.00179
239 13F+1 0.00784 0.00383 0.00044 -0.00261 -0.00498
240 13F-1 0.00383 0.00342 0.00025 0.00452 0.00006
241 13F+2 -0.00034 0.00204 -0.00545 -0.00334 -0.00038
242 13F-2 0.00164 -0.00034 -0.00943 0.00193 -0.00512
243 13F+3 -0.00398 0.00690 0.00000 0.01472 -0.00047
244 13F-3 -0.00022 -0.00013 -0.00257 0.00000 -0.00549
245 14F 0 0.00563 0.00325 -0.03390 0.00000 -0.00742
246 14F+1 -0.04922 -0.02108 0.00812 0.02167 0.04755
247 14F-1 -0.02108 -0.02488 0.00469 -0.03753 0.01176
248 14F+2 -0.00635 -0.02247 0.03572 0.02249 0.00615
249 14F-2 -0.02980 -0.00635 0.06187 -0.01298 0.03221
250 14F+3 0.03581 -0.06202 0.00000 -0.11238 0.00229
251 14F-3 -0.01997 -0.01153 0.01401 0.00000 0.02916
252 15G 0 -0.00036 -0.00021 0.00016 0.00000 -0.00142
253 15G+1 0.00007 -0.00028 -0.00080 -0.00013 0.00086
254 15G-1 -0.00028 0.00040 -0.00046 0.00023 0.00074
255 15G+2 0.00030 0.00053 0.00027 0.00289 0.00090
256 15G-2 0.00087 0.00030 0.00046 -0.00167 0.00132
257 15G+3 -0.00045 0.00079 0.00000 0.00325 0.00049
258 15G-3 -0.00100 -0.00057 0.00375 0.00000 0.00094
259 15G+4 0.00258 -0.00105 -0.00098 -0.00132 -0.00099
260 15G-4 -0.00194 -0.00258 0.00170 -0.00076 0.00199
71 72 73 74 75
(E)--V (E)--V (E)--V (A1)--V (E)--V
Eigenvalues -- 1.95071 2.03766 2.03766 2.04481 2.16076
1 1 Si 1S 0.00000 0.00000 0.00000 0.00707 0.00000
2 2S 0.00000 0.00000 0.00000 -0.01178 0.00000
3 3S 0.00000 0.00000 0.00000 0.06002 0.00000
4 4S 0.00000 0.00000 0.00000 0.26931 0.00000
5 5S 0.00000 0.00000 0.00000 -2.92271 0.00000
6 6S 0.00000 0.00000 0.00000 5.80177 0.00000
7 7S 0.00000 0.00000 0.00000 0.27013 0.00000
8 8PX 0.00000 0.00000 0.02027 0.00000 0.00000
9 8PY 0.03090 -0.02027 0.00000 0.00000 0.03385
10 8PZ 0.00000 0.00000 0.00000 0.07276 0.00000
11 9PX 0.00000 0.00000 0.00912 0.00000 0.00000
12 9PY 0.01168 -0.00912 0.00000 0.00000 -0.02090
13 9PZ 0.00000 0.00000 0.00000 -0.03052 0.00000
14 10PX 0.00000 0.00000 0.14373 0.00000 0.00000
15 10PY 0.10569 -0.14373 0.00000 0.00000 0.10345
16 10PZ 0.00000 0.00000 0.00000 0.11969 0.00000
17 11PX 0.00000 0.00000 -0.86319 0.00000 0.00000
18 11PY -0.09788 0.86319 0.00000 0.00000 -0.93937
19 11PZ 0.00000 0.00000 0.00000 -0.63254 0.00000
20 12PX 0.00000 0.00000 0.36820 0.00000 0.00000
21 12PY -1.21033 -0.36820 0.00000 0.00000 -1.72957
22 12PZ 0.00000 0.00000 0.00000 -2.43027 0.00000
23 13PX 0.00000 0.00000 0.23902 0.00000 0.00000
24 13PY -0.15730 -0.23902 0.00000 0.00000 0.23558
25 13PZ 0.00000 0.00000 0.00000 0.17647 0.00000
26 14D 0 0.00000 0.00000 0.00000 -0.25686 0.00000
27 14D+1 0.00000 0.00000 0.36175 0.00000 0.00000
28 14D-1 0.72793 -0.36175 0.00000 0.00000 -0.81759
29 14D+2 0.63184 1.99324 0.00000 0.00000 -0.13013
30 14D-2 0.00000 0.00000 -1.99324 0.00000 0.00000
31 15D 0 0.00000 0.00000 0.00000 0.17503 0.00000
32 15D+1 0.00000 0.00000 1.23207 0.00000 0.00000
33 15D-1 0.88348 -1.23207 0.00000 0.00000 -1.24294
34 15D+2 0.46823 1.85325 0.00000 0.00000 -0.26939
35 15D-2 0.00000 0.00000 -1.85325 0.00000 0.00000
36 16D 0 0.00000 0.00000 0.00000 -0.01934 0.00000
37 16D+1 0.00000 0.00000 -0.26342 0.00000 0.00000
38 16D-1 -0.09304 0.26342 0.00000 0.00000 0.02456
39 16D+2 -0.08824 -0.31826 0.00000 0.00000 0.04250
40 16D-2 0.00000 0.00000 0.31826 0.00000 0.00000
41 17D 0 0.00000 0.00000 0.00000 -0.00812 0.00000
42 17D+1 0.00000 0.00000 -0.00744 0.00000 0.00000
43 17D-1 0.03037 0.00744 0.00000 0.00000 -0.04541
44 17D+2 0.01645 0.03871 0.00000 0.00000 -0.02536
45 17D-2 0.00000 0.00000 -0.03871 0.00000 0.00000
46 18F 0 0.00000 0.00000 0.00000 0.34977 0.00000
47 18F+1 0.00000 0.00000 -0.71517 0.00000 0.00000
48 18F-1 0.00947 0.71517 0.00000 0.00000 0.64556
49 18F+2 -0.78809 -0.23307 0.00000 0.00000 0.53200
50 18F-2 0.00000 0.00000 0.23307 0.00000 0.00000
51 18F+3 0.00000 0.00000 0.00000 0.00000 0.00000
52 18F-3 0.00000 0.00000 0.00000 -0.96543 0.00000
53 19F 0 0.00000 0.00000 0.00000 0.58371 0.00000
54 19F+1 0.00000 0.00000 -0.04928 0.00000 0.00000
55 19F-1 0.34340 0.04928 0.00000 0.00000 1.07108
56 19F+2 -0.86903 0.15706 0.00000 0.00000 0.97973
57 19F-2 0.00000 0.00000 -0.15706 0.00000 0.00000
58 19F+3 0.00000 0.00000 0.00000 0.00000 0.00000
59 19F-3 0.00000 0.00000 0.00000 -1.33805 0.00000
60 20F 0 0.00000 0.00000 0.00000 -0.08099 0.00000
61 20F+1 0.00000 0.00000 -0.00853 0.00000 0.00000
62 20F-1 -0.06493 0.00853 0.00000 0.00000 -0.08320
63 20F+2 0.10113 0.00398 0.00000 0.00000 -0.11702
64 20F-2 0.00000 0.00000 -0.00398 0.00000 0.00000
65 20F+3 0.00000 0.00000 0.00000 0.00000 0.00000
66 20F-3 0.00000 0.00000 0.00000 0.20404 0.00000
67 21G 0 0.00000 0.00000 0.00000 -0.34366 0.00000
68 21G+1 0.00000 0.00000 0.38717 0.00000 0.00000
69 21G-1 -1.11941 -0.38717 0.00000 0.00000 0.12828
70 21G+2 0.29398 -0.96135 0.00000 0.00000 -0.11673
71 21G-2 0.00000 0.00000 0.96135 0.00000 0.00000
72 21G+3 0.00000 0.00000 0.00000 0.00000 0.00000
73 21G-3 0.00000 0.00000 0.00000 1.16699 0.00000
74 21G+4 0.16150 0.80082 0.00000 0.00000 -0.29159
75 21G-4 0.00000 0.00000 0.80082 0.00000 0.00000
76 22G 0 0.00000 0.00000 0.00000 -0.04298 0.00000
77 22G+1 0.00000 0.00000 -0.11994 0.00000 0.00000
78 22G-1 0.09159 0.11994 0.00000 0.00000 0.01225
79 22G+2 0.00262 -0.03230 0.00000 0.00000 -0.14736
80 22G-2 0.00000 0.00000 0.03230 0.00000 0.00000
81 22G+3 0.00000 0.00000 0.00000 0.00000 0.00000
82 22G-3 0.00000 0.00000 0.00000 -0.01044 0.00000
83 22G+4 -0.03381 0.06182 0.00000 0.00000 -0.11579
84 22G-4 0.00000 0.00000 0.06182 0.00000 0.00000
85 23H 0 0.00000 0.00000 0.00000 -0.03760 0.00000
86 23H+1 0.00000 0.00000 0.10069 0.00000 0.00000
87 23H-1 0.07022 -0.10069 0.00000 0.00000 -0.19328
88 23H+2 0.06978 0.09254 0.00000 0.00000 -0.04823
89 23H-2 0.00000 0.00000 -0.09254 0.00000 0.00000
90 23H+3 0.00000 0.00000 0.00000 0.00000 0.00000
91 23H-3 0.00000 0.00000 0.00000 -0.13439 0.00000
92 23H+4 0.04542 -0.16684 0.00000 0.00000 0.00605
93 23H-4 0.00000 0.00000 -0.16684 0.00000 0.00000
94 23H+5 0.00000 0.00000 -0.21217 0.00000 0.00000
95 23H-5 0.01853 -0.21217 0.00000 0.00000 0.04434
96 2 H 1S 0.01149 -0.00363 0.00000 -0.01061 -0.00021
97 2S -0.18381 0.03998 0.00000 0.17786 0.02673
98 3S 1.78085 0.05549 0.00000 -1.99932 -0.43279
99 4S 0.30287 1.37977 0.00000 -0.73232 1.00218
100 5S 0.36098 0.09811 0.00000 -0.09157 -0.25690
101 6PX 0.00000 0.00000 -0.02043 0.00000 0.00000
102 6PY -0.00255 -0.00858 0.00000 0.00131 -0.00556
103 6PZ -0.00052 -0.01770 0.00000 0.00146 -0.01374
104 7PX 0.00000 0.00000 0.06541 0.00000 0.00000
105 7PY 0.03648 0.02817 0.00000 -0.02769 0.01973
106 7PZ 0.00583 0.06462 0.00000 -0.01053 0.04853
107 8PX 0.00000 0.00000 -0.41432 0.00000 0.00000
108 8PY -0.41408 -0.27198 0.00000 0.40140 -0.01427
109 8PZ 0.06928 -0.34723 0.00000 -0.03376 -0.39339
110 9PX 0.00000 0.00000 2.33737 0.00000 0.00000
111 9PY -0.16564 0.61233 0.00000 0.30173 0.29157
112 9PZ -0.89700 1.67553 0.00000 0.58911 2.63839
113 10D 0 -0.04386 -0.01245 0.00000 -0.02744 0.02519
114 10D+1 0.00000 0.00000 0.03747 0.00000 0.00000
115 10D-1 -0.00383 -0.01738 0.00000 -0.02632 -0.04905
116 10D+2 0.02880 0.02087 0.00000 0.02569 0.01691
117 10D-2 0.00000 0.00000 -0.00984 0.00000 0.00000
118 11D 0 0.20925 0.04797 0.00000 0.12967 -0.13258
119 11D+1 0.00000 0.00000 -0.18887 0.00000 0.00000
120 11D-1 0.00371 0.09407 0.00000 0.13863 0.26606
121 11D+2 -0.14614 -0.11640 0.00000 -0.11309 -0.07981
122 11D-2 0.00000 0.00000 0.07326 0.00000 0.00000
123 12D 0 -1.09085 0.01365 0.00000 -0.35228 0.86190
124 12D+1 0.00000 0.00000 1.01802 0.00000 0.00000
125 12D-1 0.10882 -0.75712 0.00000 -0.74808 -1.62938
126 12D+2 0.40417 0.68426 0.00000 0.62500 0.47834
127 12D-2 0.00000 0.00000 -0.97722 0.00000 0.00000
128 13F 0 -0.00207 0.00725 0.00000 0.00195 0.00528
129 13F+1 0.00000 0.00000 0.00494 0.00000 0.00000
130 13F-1 -0.00494 0.01065 0.00000 0.00237 0.00949
131 13F+2 -0.00534 0.00723 0.00000 0.00606 0.01152
132 13F-2 0.00000 0.00000 0.01139 0.00000 0.00000
133 13F+3 0.00000 0.00000 0.01819 0.00000 0.00000
134 13F-3 0.00634 0.00913 0.00000 -0.00555 0.00222
135 14F 0 0.00857 -0.05389 0.00000 -0.02215 -0.05201
136 14F+1 0.00000 0.00000 -0.03368 0.00000 0.00000
137 14F-1 0.05434 -0.09345 0.00000 -0.02848 -0.09338
138 14F+2 0.03576 -0.06271 0.00000 -0.05074 -0.09985
139 14F-2 0.00000 0.00000 -0.10666 0.00000 0.00000
140 14F+3 0.00000 0.00000 -0.16941 0.00000 0.00000
141 14F-3 -0.03367 -0.07449 0.00000 0.02453 -0.01866
142 15G 0 0.00164 -0.00285 0.00000 -0.00090 -0.00557
143 15G+1 0.00000 0.00000 -0.00200 0.00000 0.00000
144 15G-1 0.00129 -0.00017 0.00000 0.00227 0.00315
145 15G+2 0.00184 -0.00480 0.00000 -0.00173 -0.00593
146 15G-2 0.00000 0.00000 0.00024 0.00000 0.00000
147 15G+3 0.00000 0.00000 -0.00736 0.00000 0.00000
148 15G-3 -0.00108 0.00175 0.00000 0.00300 0.00421
149 15G+4 -0.00256 -0.00349 0.00000 -0.00117 -0.00033
150 15G-4 0.00000 0.00000 0.00817 0.00000 0.00000
151 3 H 1S -0.00574 0.00182 0.00315 -0.01061 0.00010
152 2S 0.09190 -0.01999 -0.03462 0.17786 -0.01337
153 3S -0.89042 -0.02774 -0.04805 -1.99932 0.21639
154 4S -0.15143 -0.68988 -1.19491 -0.73232 -0.50109
155 5S -0.18049 -0.04906 -0.08497 -0.09157 0.12845
156 6PX 0.00096 0.01256 0.00132 0.00113 0.00175
157 6PY -0.00089 0.01318 -0.01256 -0.00066 -0.00253
158 6PZ 0.00026 0.00885 0.01533 0.00146 0.00687
159 7PX -0.01512 -0.04052 -0.00477 -0.02398 -0.00873
160 7PY 0.01029 -0.04201 0.04052 0.01384 0.00461
161 7PZ -0.00292 -0.03231 -0.05596 -0.01053 -0.02427
162 8PX 0.18635 0.29718 0.10041 0.34762 -0.01104
163 8PY -0.09131 0.24274 -0.29718 -0.20070 -0.03340
164 8PZ -0.03464 0.17362 0.30071 -0.03376 0.19669
165 9PX -0.06076 -1.27726 0.12509 0.26131 0.35023
166 9PY -0.27088 -1.59995 1.27726 -0.15087 0.89818
167 9PZ 0.44850 -0.83776 -1.45105 0.58911 -1.31920
168 10D 0 0.02193 0.00623 0.01078 -0.02744 -0.01260
169 10D+1 0.01623 -0.00870 0.02240 -0.02280 0.03080
170 10D-1 0.02428 -0.03245 0.00870 0.01316 0.00429
171 10D+2 0.01718 0.01260 0.00478 -0.01285 -0.01086
172 10D-2 -0.00671 -0.00478 -0.01812 0.02225 -0.01603
173 11D 0 -0.10462 -0.02399 -0.04154 0.12967 0.06629
174 11D+1 -0.06929 0.04105 -0.11777 0.12006 -0.16278
175 11D-1 -0.11631 0.16517 -0.04105 -0.06932 -0.01589
176 11D+2 -0.08555 -0.08405 -0.01868 0.05654 0.06289
177 11D-2 0.03498 0.01868 0.10562 -0.09794 0.08239
178 12D 0 0.54543 -0.00682 -0.01182 -0.35228 -0.43095
179 12D+1 0.22025 -0.11297 0.82235 -0.64785 0.94733
180 12D-1 0.49030 -0.95280 0.11297 0.37404 0.01145
181 12D+2 0.31378 0.90398 -0.12686 -0.31250 -0.44617
182 12D-2 -0.05219 0.12686 -0.75750 0.54126 -0.53377
183 13F 0 0.00103 -0.00362 -0.00627 0.00195 -0.00264
184 13F+1 -0.00006 -0.00675 -0.00675 0.00205 -0.00559
185 13F-1 -0.00505 -0.00104 0.00675 -0.00118 -0.00019
186 13F+2 -0.00468 -0.00674 0.00806 -0.00303 0.00301
187 13F-2 0.00038 -0.00806 -0.00257 0.00525 -0.00491
188 13F+3 -0.00081 0.01575 -0.00909 0.00000 -0.00702
189 13F-3 -0.00317 -0.00456 -0.00791 -0.00555 -0.00111
190 14F 0 -0.00428 0.02694 0.04667 -0.02215 0.02600
191 14F+1 -0.01176 0.05505 0.06167 -0.02466 0.04739
192 14F-1 0.03396 0.00190 -0.05505 0.01424 -0.01130
193 14F+2 0.02511 0.06432 -0.07334 0.02537 -0.03734
194 14F-2 -0.00615 0.07334 0.02037 -0.04394 0.03609
195 14F+3 0.00397 -0.14671 0.08470 0.00000 0.05877
196 14F-3 0.01684 0.03725 0.06451 0.02453 0.00933
197 15G 0 -0.00082 0.00143 0.00247 -0.00090 0.00278
198 15G+1 -0.00074 0.00094 -0.00037 0.00196 -0.00180
199 15G-1 0.00001 0.00145 -0.00094 -0.00113 0.00003
200 15G+2 0.00027 -0.00138 -0.00198 0.00086 -0.00174
201 15G-2 -0.00090 0.00198 0.00366 -0.00150 0.00242
202 15G+3 0.00085 -0.00638 0.00368 0.00000 0.00285
203 15G-3 0.00054 -0.00087 -0.00152 0.00300 -0.00211
204 15G+4 -0.00085 0.00525 -0.00505 0.00058 -0.00232
205 15G-4 -0.00099 -0.00505 -0.00057 0.00101 0.00115
206 4 H 1S -0.00574 0.00182 -0.00315 -0.01061 0.00010
207 2S 0.09190 -0.01999 0.03462 0.17786 -0.01337
208 3S -0.89042 -0.02774 0.04805 -1.99932 0.21639
209 4S -0.15143 -0.68988 1.19491 -0.73232 -0.50109
210 5S -0.18049 -0.04906 0.08497 -0.09157 0.12845
211 6PX -0.00096 -0.01256 0.00132 -0.00113 -0.00175
212 6PY -0.00089 0.01318 0.01256 -0.00066 -0.00253
213 6PZ 0.00026 0.00885 -0.01533 0.00146 0.00687
214 7PX 0.01512 0.04052 -0.00477 0.02398 0.00873
215 7PY 0.01029 -0.04201 -0.04052 0.01384 0.00461
216 7PZ -0.00292 -0.03231 0.05596 -0.01053 -0.02427
217 8PX -0.18635 -0.29718 0.10041 -0.34762 0.01104
218 8PY -0.09131 0.24274 0.29718 -0.20070 -0.03340
219 8PZ -0.03464 0.17362 -0.30071 -0.03376 0.19669
220 9PX 0.06076 1.27726 0.12509 -0.26131 -0.35023
221 9PY -0.27088 -1.59995 -1.27726 -0.15087 0.89818
222 9PZ 0.44850 -0.83776 1.45105 0.58911 -1.31920
223 10D 0 0.02193 0.00623 -0.01078 -0.02744 -0.01260
224 10D+1 -0.01623 0.00870 0.02240 0.02280 -0.03080
225 10D-1 0.02428 -0.03245 -0.00870 0.01316 0.00429
226 10D+2 0.01718 0.01260 -0.00478 -0.01285 -0.01086
227 10D-2 0.00671 0.00478 -0.01812 -0.02225 0.01603
228 11D 0 -0.10462 -0.02399 0.04154 0.12967 0.06629
229 11D+1 0.06929 -0.04105 -0.11777 -0.12006 0.16278
230 11D-1 -0.11631 0.16517 0.04105 -0.06932 -0.01589
231 11D+2 -0.08555 -0.08405 0.01868 0.05654 0.06289
232 11D-2 -0.03498 -0.01868 0.10562 0.09794 -0.08239
233 12D 0 0.54543 -0.00682 0.01182 -0.35228 -0.43095
234 12D+1 -0.22025 0.11297 0.82235 0.64785 -0.94733
235 12D-1 0.49030 -0.95280 -0.11297 0.37404 0.01145
236 12D+2 0.31378 0.90398 0.12686 -0.31250 -0.44617
237 12D-2 0.05219 -0.12686 -0.75750 -0.54126 0.53377
238 13F 0 0.00103 -0.00362 0.00627 0.00195 -0.00264
239 13F+1 0.00006 0.00675 -0.00675 -0.00205 0.00559
240 13F-1 -0.00505 -0.00104 -0.00675 -0.00118 -0.00019
241 13F+2 -0.00468 -0.00674 -0.00806 -0.00303 0.00301
242 13F-2 -0.00038 0.00806 -0.00257 -0.00525 0.00491
243 13F+3 0.00081 -0.01575 -0.00909 0.00000 0.00702
244 13F-3 -0.00317 -0.00456 0.00791 -0.00555 -0.00111
245 14F 0 -0.00428 0.02694 -0.04667 -0.02215 0.02600
246 14F+1 0.01176 -0.05505 0.06167 0.02466 -0.04739
247 14F-1 0.03396 0.00190 0.05505 0.01424 -0.01130
248 14F+2 0.02511 0.06432 0.07334 0.02537 -0.03734
249 14F-2 0.00615 -0.07334 0.02037 0.04394 -0.03609
250 14F+3 -0.00397 0.14671 0.08470 0.00000 -0.05877
251 14F-3 0.01684 0.03725 -0.06451 0.02453 0.00933
252 15G 0 -0.00082 0.00143 -0.00247 -0.00090 0.00278
253 15G+1 0.00074 -0.00094 -0.00037 -0.00196 0.00180
254 15G-1 0.00001 0.00145 0.00094 -0.00113 0.00003
255 15G+2 0.00027 -0.00138 0.00198 0.00086 -0.00174
256 15G-2 0.00090 -0.00198 0.00366 0.00150 -0.00242
257 15G+3 -0.00085 0.00638 0.00368 0.00000 -0.00285
258 15G-3 0.00054 -0.00087 0.00152 0.00300 -0.00211
259 15G+4 -0.00085 0.00525 0.00505 0.00058 -0.00232
260 15G-4 0.00099 0.00505 -0.00057 -0.00101 -0.00115
76 77 78 79 80
(E)--V (A2)--V (A1)--V (E)--V (E)--V
Eigenvalues -- 2.16076 2.17440 2.19713 2.20514 2.20514
1 1 Si 1S 0.00000 0.00000 -0.02407 0.00000 0.00000
2 2S 0.00000 0.00000 0.03247 0.00000 0.00000
3 3S 0.00000 0.00000 -0.19639 0.00000 0.00000
4 4S 0.00000 0.00000 -0.55195 0.00000 0.00000
5 5S 0.00000 0.00000 3.50062 0.00000 0.00000
6 6S 0.00000 0.00000 -2.93730 0.00000 0.00000
7 7S 0.00000 0.00000 0.97064 0.00000 0.00000
8 8PX 0.03385 0.00000 0.00000 -0.06530 0.00000
9 8PY 0.00000 0.00000 0.00000 0.00000 -0.06530
10 8PZ 0.00000 0.00000 -0.04276 0.00000 0.00000
11 9PX -0.02090 0.00000 0.00000 0.05158 0.00000
12 9PY 0.00000 0.00000 0.00000 0.00000 0.05158
13 9PZ 0.00000 0.00000 0.09568 0.00000 0.00000
14 10PX 0.10345 0.00000 0.00000 -0.05380 0.00000
15 10PY 0.00000 0.00000 0.00000 0.00000 -0.05380
16 10PZ 0.00000 0.00000 0.25140 0.00000 0.00000
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30 14D-2 -0.13013 0.00000 0.00000 -0.09017 0.00000
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32 15D+1 -1.24294 0.00000 0.00000 -0.50346 0.00000
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34 15D+2 0.00000 0.00000 0.00000 0.00000 -0.11710
35 15D-2 -0.26939 0.00000 0.00000 -0.11710 0.00000
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37 16D+1 0.02456 0.00000 0.00000 -0.52650 0.00000
38 16D-1 0.00000 0.00000 0.00000 0.00000 -0.52650
39 16D+2 0.00000 0.00000 0.00000 0.00000 0.64123
40 16D-2 0.04250 0.00000 0.00000 0.64123 0.00000
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42 17D+1 -0.04541 0.00000 0.00000 -0.06555 0.00000
43 17D-1 0.00000 0.00000 0.00000 0.00000 -0.06555
44 17D+2 0.00000 0.00000 0.00000 0.00000 0.05267
45 17D-2 -0.02536 0.00000 0.00000 0.05267 0.00000
46 18F 0 0.00000 0.00000 0.04885 0.00000 0.00000
47 18F+1 0.64556 0.00000 0.00000 -0.15622 0.00000
48 18F-1 0.00000 0.00000 0.00000 0.00000 -0.15622
49 18F+2 0.00000 0.00000 0.00000 0.00000 0.29255
50 18F-2 0.53200 0.00000 0.00000 0.29255 0.00000
51 18F+3 0.00000 0.76142 0.00000 0.00000 0.00000
52 18F-3 0.00000 0.00000 1.18368 0.00000 0.00000
53 19F 0 0.00000 0.00000 -0.86719 0.00000 0.00000
54 19F+1 1.07108 0.00000 0.00000 0.20491 0.00000
55 19F-1 0.00000 0.00000 0.00000 0.00000 0.20491
56 19F+2 0.00000 0.00000 0.00000 0.00000 0.03244
57 19F-2 0.97973 0.00000 0.00000 0.03244 0.00000
58 19F+3 0.00000 2.01844 0.00000 0.00000 0.00000
59 19F-3 0.00000 0.00000 1.58140 0.00000 0.00000
60 20F 0 0.00000 0.00000 0.22802 0.00000 0.00000
61 20F+1 -0.08320 0.00000 0.00000 -0.03738 0.00000
62 20F-1 0.00000 0.00000 0.00000 0.00000 -0.03738
63 20F+2 0.00000 0.00000 0.00000 0.00000 -0.00639
64 20F-2 -0.11702 0.00000 0.00000 -0.00639 0.00000
65 20F+3 0.00000 -0.20469 0.00000 0.00000 0.00000
66 20F-3 0.00000 0.00000 -0.32682 0.00000 0.00000
67 21G 0 0.00000 0.00000 0.09108 0.00000 0.00000
68 21G+1 0.12828 0.00000 0.00000 0.12784 0.00000
69 21G-1 0.00000 0.00000 0.00000 0.00000 0.12784
70 21G+2 0.00000 0.00000 0.00000 0.00000 -0.33303
71 21G-2 -0.11673 0.00000 0.00000 -0.33303 0.00000
72 21G+3 0.00000 0.12438 0.00000 0.00000 0.00000
73 21G-3 0.00000 0.00000 -1.18282 0.00000 0.00000
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75 21G-4 0.29159 0.00000 0.00000 -0.62614 0.00000
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77 22G+1 0.01225 0.00000 0.00000 0.03012 0.00000
78 22G-1 0.00000 0.00000 0.00000 0.00000 0.03012
79 22G+2 0.00000 0.00000 0.00000 0.00000 0.05357
80 22G-2 -0.14736 0.00000 0.00000 0.05357 0.00000
81 22G+3 0.00000 -0.20195 0.00000 0.00000 0.00000
82 22G-3 0.00000 0.00000 0.11967 0.00000 0.00000
83 22G+4 0.00000 0.00000 0.00000 0.00000 0.00490
84 22G-4 0.11579 0.00000 0.00000 -0.00490 0.00000
85 23H 0 0.00000 0.00000 0.10460 0.00000 0.00000
86 23H+1 -0.19328 0.00000 0.00000 -0.02862 0.00000
87 23H-1 0.00000 0.00000 0.00000 0.00000 -0.02862
88 23H+2 0.00000 0.00000 0.00000 0.00000 -0.01342
89 23H-2 -0.04823 0.00000 0.00000 -0.01342 0.00000
90 23H+3 0.00000 -0.02258 0.00000 0.00000 0.00000
91 23H-3 0.00000 0.00000 -0.12735 0.00000 0.00000
92 23H+4 0.00000 0.00000 0.00000 0.00000 -0.12511
93 23H-4 -0.00605 0.00000 0.00000 0.12511 0.00000
94 23H+5 -0.04434 0.00000 0.00000 0.02928 0.00000
95 23H-5 0.00000 0.00000 0.00000 0.00000 -0.02928
96 2 H 1S 0.00000 0.00000 0.00387 0.00000 0.00070
97 2S 0.00000 0.00000 -0.14498 0.00000 0.02228
98 3S 0.00000 0.00000 2.46258 0.00000 -0.64828
99 4S 0.00000 0.00000 -0.89807 0.00000 -1.65544
100 5S 0.00000 0.00000 -0.27500 0.00000 0.38224
101 6PX -0.00152 -0.00492 0.00000 -0.02057 0.00000
102 6PY 0.00000 0.00000 -0.02554 0.00000 0.01598
103 6PZ 0.00000 0.00000 -0.03264 0.00000 0.00751
104 7PX -0.00043 0.01341 0.00000 0.09369 0.00000
105 7PY 0.00000 0.00000 0.13209 0.00000 -0.08170
106 7PZ 0.00000 0.00000 0.14062 0.00000 -0.02848
107 8PX -0.03978 -0.15372 0.00000 -0.49898 0.00000
108 8PY 0.00000 0.00000 -1.21960 0.00000 0.62651
109 8PZ 0.00000 0.00000 -0.65444 0.00000 0.08234
110 9PX 1.10038 1.68826 0.00000 -0.68071 0.00000
111 9PY 0.00000 0.00000 1.57116 0.00000 0.15809
112 9PZ 0.00000 0.00000 1.09187 0.00000 0.29695
113 10D 0 0.00000 0.00000 0.02464 0.00000 0.00399
114 10D+1 0.02207 0.03230 0.00000 -0.01985 0.00000
115 10D-1 0.00000 0.00000 -0.00968 0.00000 -0.02803
116 10D+2 0.00000 0.00000 0.00890 0.00000 0.00349
117 10D-2 -0.02012 -0.03575 0.00000 0.03868 0.00000
118 11D 0 0.00000 0.00000 -0.13863 0.00000 -0.01088
119 11D+1 -0.10988 -0.16303 0.00000 0.09757 0.00000
120 11D-1 0.00000 0.00000 0.04185 0.00000 0.13818
121 11D+2 0.00000 0.00000 -0.07321 0.00000 -0.00922
122 11D-2 0.11046 0.19405 0.00000 -0.18583 0.00000
123 12D 0 0.00000 0.00000 0.66594 0.00000 0.06636
124 12D+1 0.55840 0.82247 0.00000 -0.48825 0.00000
125 12D-1 0.00000 0.00000 -0.32048 0.00000 -0.48437
126 12D+2 0.00000 0.00000 0.29973 0.00000 0.20077
127 12D-2 -0.75434 -1.22075 0.00000 0.87917 0.00000
128 13F 0 0.00000 0.00000 -0.00043 0.00000 0.00041
129 13F+1 -0.00342 0.00373 0.00000 0.00147 0.00000
130 13F-1 0.00000 0.00000 0.01558 0.00000 -0.00988
131 13F+2 0.00000 0.00000 -0.00351 0.00000 -0.00372
132 13F-2 0.00017 0.00888 0.00000 0.00299 0.00000
133 13F+3 0.00810 0.00744 0.00000 0.01136 0.00000
134 13F-3 0.00000 0.00000 0.01120 0.00000 -0.00288
135 14F 0 0.00000 0.00000 -0.00016 0.00000 0.00255
136 14F+1 0.01606 -0.02352 0.00000 -0.00734 0.00000
137 14F-1 0.00000 0.00000 -0.10986 0.00000 0.05155
138 14F+2 0.00000 0.00000 0.01281 0.00000 0.03003
139 14F-2 -0.01650 -0.06677 0.00000 -0.00943 0.00000
140 14F+3 -0.06786 -0.06956 0.00000 -0.05289 0.00000
141 14F-3 0.00000 0.00000 -0.08240 0.00000 -0.00270
142 15G 0 0.00000 0.00000 -0.00430 0.00000 0.00074
143 15G+1 -0.00101 -0.00132 0.00000 0.00024 0.00000
144 15G-1 0.00000 0.00000 -0.00003 0.00000 0.00035
145 15G+2 0.00000 0.00000 -0.00581 0.00000 0.00057
146 15G-2 -0.00035 0.00002 0.00000 -0.00050 0.00000
147 15G+3 -0.00329 -0.00325 0.00000 0.00067 0.00000
148 15G-3 0.00000 0.00000 -0.00059 0.00000 -0.00080
149 15G+4 0.00000 0.00000 -0.00540 0.00000 -0.00165
150 15G-4 0.00299 0.00401 0.00000 -0.00131 0.00000
151 3 H 1S -0.00018 0.00000 0.00387 0.00060 -0.00035
152 2S 0.02315 0.00000 -0.14498 0.01930 -0.01114
153 3S -0.37481 0.00000 2.46258 -0.56142 0.32414
154 4S 0.86791 0.00000 -0.89807 -1.43366 0.82772
155 5S -0.22249 0.00000 -0.27500 0.33103 -0.19112
156 6PX -0.00455 0.00246 -0.02212 0.00684 -0.01583
157 6PY 0.00175 0.00426 0.01277 -0.01583 -0.01144
158 6PZ -0.01190 0.00000 -0.03264 0.00650 -0.00375
159 7PX 0.01469 -0.00670 0.11439 -0.03785 0.07595
160 7PY -0.00873 -0.01161 -0.06605 0.07595 0.04984
161 7PZ 0.04203 0.00000 0.14062 -0.02466 0.01424
162 8PX -0.02065 0.07686 -1.05621 0.34514 -0.48735
163 8PY -0.01104 0.13312 0.60980 -0.48735 -0.21761
164 8PZ -0.34068 0.00000 -0.65444 0.07131 -0.04117
165 9PX 0.49377 -0.84413 1.36067 -0.05161 -0.36321
166 9PY 0.35023 -1.46208 -0.78558 -0.36321 -0.47101
167 9PZ 2.28491 0.00000 1.09187 0.25717 -0.14848
168 10D 0 0.02182 0.00000 0.02464 0.00346 -0.00199
169 10D+1 -0.03127 -0.01615 -0.00838 -0.02598 0.00354
170 10D-1 0.03080 -0.02797 0.00484 0.00354 -0.02190
171 10D+2 -0.01603 0.03096 -0.00445 0.01524 0.02988
172 10D-2 0.00765 0.01788 0.00771 0.01228 0.01524
173 11D 0 -0.11482 0.00000 -0.13863 -0.00942 0.00544
174 11D+1 0.17207 0.08151 0.03624 0.12803 -0.01758
175 11D-1 -0.16278 0.14118 -0.02092 -0.01758 0.10773
176 11D+2 0.08239 -0.16805 0.03660 -0.07648 -0.14168
177 11D-2 -0.03224 -0.09702 -0.06340 -0.05337 -0.07648
178 12D 0 0.74643 0.00000 0.66594 0.05747 -0.03318
179 12D+1 -1.08243 -0.41124 -0.27754 -0.48534 -0.00168
180 12D-1 0.94733 -0.71228 0.16024 -0.00168 -0.48728
181 12D+2 -0.53377 1.05720 -0.14987 0.29376 0.70957
182 12D-2 0.17017 0.61038 0.25957 0.37037 0.29376
183 13F 0 0.00457 0.00000 -0.00043 0.00036 -0.00021
184 13F+1 0.00626 -0.00186 0.01349 -0.00704 0.00492
185 13F-1 -0.00559 -0.00323 -0.00779 0.00492 -0.00136
186 13F+2 -0.00491 -0.00769 0.00175 0.00290 0.00131
187 13F-2 0.00868 -0.00444 -0.00304 -0.00204 0.00290
188 13F+3 -0.00405 0.00744 0.00000 -0.00568 -0.00983
189 13F-3 0.00192 0.00000 0.01120 -0.00250 0.00144
190 14F 0 -0.04504 0.00000 -0.00016 0.00221 -0.00127
191 14F+1 -0.06602 0.01176 -0.09514 0.03683 -0.02550
192 14F-1 0.04739 0.02037 0.05493 -0.02550 0.00738
193 14F+2 0.03609 0.05783 -0.00641 -0.01709 0.00043
194 14F-2 -0.07902 0.03339 0.01110 0.02017 -0.01709
195 14F+3 0.03393 -0.06956 0.00000 0.02644 0.04580
196 14F-3 -0.01616 0.00000 -0.08240 -0.00234 0.00135
197 15G 0 -0.00482 0.00000 -0.00430 0.00064 -0.00037
198 15G+1 0.00211 0.00066 -0.00003 0.00032 -0.00005
199 15G-1 -0.00180 0.00114 0.00002 -0.00005 0.00027
200 15G+2 0.00242 -0.00002 0.00290 -0.00046 -0.00023
201 15G-2 -0.00454 -0.00001 -0.00503 0.00030 -0.00046
202 15G+3 0.00164 -0.00325 0.00000 -0.00033 -0.00058
203 15G-3 0.00365 0.00000 -0.00059 -0.00070 0.00040
204 15G+4 -0.00115 0.00348 0.00270 0.00128 0.00057
205 15G-4 0.00100 -0.00201 0.00468 0.00091 -0.00128
206 4 H 1S 0.00018 0.00000 0.00387 -0.00060 -0.00035
207 2S -0.02315 0.00000 -0.14498 -0.01930 -0.01114
208 3S 0.37481 0.00000 2.46258 0.56142 0.32414
209 4S -0.86791 0.00000 -0.89807 1.43366 0.82772
210 5S 0.22249 0.00000 -0.27500 -0.33103 -0.19112
211 6PX -0.00455 0.00246 0.02212 0.00684 0.01583
212 6PY -0.00175 -0.00426 0.01277 0.01583 -0.01144
213 6PZ 0.01190 0.00000 -0.03264 -0.00650 -0.00375
214 7PX 0.01469 -0.00670 -0.11439 -0.03785 -0.07595
215 7PY 0.00873 0.01161 -0.06605 -0.07595 0.04984
216 7PZ -0.04203 0.00000 0.14062 0.02466 0.01424
217 8PX -0.02065 0.07686 1.05621 0.34514 0.48735
218 8PY 0.01104 -0.13312 0.60980 0.48735 -0.21761
219 8PZ 0.34068 0.00000 -0.65444 -0.07131 -0.04117
220 9PX 0.49377 -0.84413 -1.36067 -0.05161 0.36321
221 9PY -0.35023 1.46208 -0.78558 0.36321 -0.47101
222 9PZ -2.28491 0.00000 1.09187 -0.25717 -0.14848
223 10D 0 -0.02182 0.00000 0.02464 -0.00346 -0.00199
224 10D+1 -0.03127 -0.01615 0.00838 -0.02598 -0.00354
225 10D-1 -0.03080 0.02797 0.00484 -0.00354 -0.02190
226 10D+2 0.01603 -0.03096 -0.00445 -0.01524 0.02988
227 10D-2 0.00765 0.01788 -0.00771 0.01228 -0.01524
228 11D 0 0.11482 0.00000 -0.13863 0.00942 0.00544
229 11D+1 0.17207 0.08151 -0.03624 0.12803 0.01758
230 11D-1 0.16278 -0.14118 -0.02092 0.01758 0.10773
231 11D+2 -0.08239 0.16805 0.03660 0.07648 -0.14168
232 11D-2 -0.03224 -0.09702 0.06340 -0.05337 0.07648
233 12D 0 -0.74643 0.00000 0.66594 -0.05747 -0.03318
234 12D+1 -1.08243 -0.41124 0.27754 -0.48534 0.00168
235 12D-1 -0.94733 0.71228 0.16024 0.00168 -0.48728
236 12D+2 0.53377 -1.05720 -0.14987 -0.29376 0.70957
237 12D-2 0.17017 0.61038 -0.25957 0.37037 -0.29376
238 13F 0 -0.00457 0.00000 -0.00043 -0.00036 -0.00021
239 13F+1 0.00626 -0.00186 -0.01349 -0.00704 -0.00492
240 13F-1 0.00559 0.00323 -0.00779 -0.00492 -0.00136
241 13F+2 0.00491 0.00769 0.00175 -0.00290 0.00131
242 13F-2 0.00868 -0.00444 0.00304 -0.00204 -0.00290
243 13F+3 -0.00405 0.00744 0.00000 -0.00568 0.00983
244 13F-3 -0.00192 0.00000 0.01120 0.00250 0.00144
245 14F 0 0.04504 0.00000 -0.00016 -0.00221 -0.00127
246 14F+1 -0.06602 0.01176 0.09514 0.03683 0.02550
247 14F-1 -0.04739 -0.02037 0.05493 0.02550 0.00738
248 14F+2 -0.03609 -0.05783 -0.00641 0.01709 0.00043
249 14F-2 -0.07902 0.03339 -0.01110 0.02017 0.01709
250 14F+3 0.03393 -0.06956 0.00000 0.02644 -0.04580
251 14F-3 0.01616 0.00000 -0.08240 0.00234 0.00135
252 15G 0 0.00482 0.00000 -0.00430 -0.00064 -0.00037
253 15G+1 0.00211 0.00066 0.00003 0.00032 0.00005
254 15G-1 0.00180 -0.00114 0.00002 0.00005 0.00027
255 15G+2 -0.00242 0.00002 0.00290 0.00046 -0.00023
256 15G-2 -0.00454 -0.00001 0.00503 0.00030 0.00046
257 15G+3 0.00164 -0.00325 0.00000 -0.00033 0.00058
258 15G-3 -0.00365 0.00000 -0.00059 0.00070 0.00040
259 15G+4 0.00115 -0.00348 0.00270 -0.00128 0.00057
260 15G-4 0.00100 -0.00201 -0.00468 0.00091 0.00128
81 82 83 84 85
(A1)--V (E)--V (E)--V (A1)--V (E)--V
Eigenvalues -- 2.26029 2.30135 2.30135 2.32413 2.41082
1 1 Si 1S -0.02274 0.00000 0.00000 -0.05445 0.00000
2 2S 0.03178 0.00000 0.00000 0.00453 0.00000
3 3S -0.16486 0.00000 0.00000 -0.61541 0.00000
4 4S -0.31982 0.00000 0.00000 -1.85586 0.00000
5 5S 1.67362 0.00000 0.00000 1.23421 0.00000
6 6S -0.06633 0.00000 0.00000 18.89164 0.00000
7 7S 3.03808 0.00000 0.00000 3.91911 0.00000
8 8PX 0.00000 -0.16695 0.00000 0.00000 0.00000
9 8PY 0.00000 0.00000 -0.16695 0.00000 -0.03319
10 8PZ -0.12032 0.00000 0.00000 0.03042 0.00000
11 9PX 0.00000 0.09055 0.00000 0.00000 0.00000
12 9PY 0.00000 0.00000 0.09055 0.00000 0.00485
13 9PZ 0.15447 0.00000 0.00000 -0.08013 0.00000
14 10PX 0.00000 -0.27059 0.00000 0.00000 0.00000
15 10PY 0.00000 0.00000 -0.27059 0.00000 -0.20359
16 10PZ 0.10410 0.00000 0.00000 0.04334 0.00000
17 11PX 0.00000 1.50126 0.00000 0.00000 0.00000
18 11PY 0.00000 0.00000 1.50126 0.00000 1.51194
19 11PZ 0.58166 0.00000 0.00000 -2.13759 0.00000
20 12PX 0.00000 4.38616 0.00000 0.00000 0.00000
21 12PY 0.00000 0.00000 4.38616 0.00000 1.38098
22 12PZ 1.79140 0.00000 0.00000 -5.43288 0.00000
23 13PX 0.00000 -0.62058 0.00000 0.00000 0.00000
24 13PY 0.00000 0.00000 -0.62058 0.00000 -0.35729
25 13PZ -0.65920 0.00000 0.00000 -0.06291 0.00000
26 14D 0 -1.03311 0.00000 0.00000 -1.42402 0.00000
27 14D+1 0.00000 -0.60200 0.00000 0.00000 0.00000
28 14D-1 0.00000 0.00000 -0.60200 0.00000 -0.18468
29 14D+2 0.00000 0.00000 -1.56597 0.00000 1.20280
30 14D-2 0.00000 -1.56597 0.00000 0.00000 0.00000
31 15D 0 -0.32882 0.00000 0.00000 -1.08923 0.00000
32 15D+1 0.00000 -2.20934 0.00000 0.00000 0.00000
33 15D-1 0.00000 0.00000 -2.20934 0.00000 -1.11454
34 15D+2 0.00000 0.00000 -2.75833 0.00000 0.14826
35 15D-2 0.00000 -2.75833 0.00000 0.00000 0.00000
36 16D 0 -0.47751 0.00000 0.00000 0.23395 0.00000
37 16D+1 0.00000 0.89555 0.00000 0.00000 0.00000
38 16D-1 0.00000 0.00000 0.89555 0.00000 0.28947
39 16D+2 0.00000 0.00000 0.51166 0.00000 0.03641
40 16D-2 0.00000 0.51166 0.00000 0.00000 0.00000
41 17D 0 -0.01799 0.00000 0.00000 0.10056 0.00000
42 17D+1 0.00000 -0.00565 0.00000 0.00000 0.00000
43 17D-1 0.00000 0.00000 -0.00565 0.00000 0.01660
44 17D+2 0.00000 0.00000 -0.04711 0.00000 0.02744
45 17D-2 0.00000 -0.04711 0.00000 0.00000 0.00000
46 18F 0 -0.05204 0.00000 0.00000 0.74836 0.00000
47 18F+1 0.00000 -0.00114 0.00000 0.00000 0.00000
48 18F-1 0.00000 0.00000 -0.00114 0.00000 0.11765
49 18F+2 0.00000 0.00000 0.98927 0.00000 -0.78110
50 18F-2 0.00000 0.98927 0.00000 0.00000 0.00000
51 18F+3 0.00000 0.00000 0.00000 0.00000 0.00000
52 18F-3 -0.50983 0.00000 0.00000 -1.01312 0.00000
53 19F 0 -1.49780 0.00000 0.00000 0.21450 0.00000
54 19F+1 0.00000 -1.10529 0.00000 0.00000 0.00000
55 19F-1 0.00000 0.00000 -1.10529 0.00000 -0.17553
56 19F+2 0.00000 0.00000 0.46404 0.00000 -0.35109
57 19F-2 0.00000 0.46404 0.00000 0.00000 0.00000
58 19F+3 0.00000 0.00000 0.00000 0.00000 0.00000
59 19F-3 0.37609 0.00000 0.00000 1.01491 0.00000
60 20F 0 0.25112 0.00000 0.00000 0.24508 0.00000
61 20F+1 0.00000 0.14801 0.00000 0.00000 0.00000
62 20F-1 0.00000 0.00000 0.14801 0.00000 -0.00639
63 20F+2 0.00000 0.00000 -0.02407 0.00000 0.08714
64 20F-2 0.00000 -0.02407 0.00000 0.00000 0.00000
65 20F+3 0.00000 0.00000 0.00000 0.00000 0.00000
66 20F-3 -0.16283 0.00000 0.00000 -0.59591 0.00000
67 21G 0 0.53206 0.00000 0.00000 -0.47305 0.00000
68 21G+1 0.00000 0.47993 0.00000 0.00000 0.00000
69 21G-1 0.00000 0.00000 0.47993 0.00000 0.24182
70 21G+2 0.00000 0.00000 0.15369 0.00000 0.79984
71 21G-2 0.00000 0.15369 0.00000 0.00000 0.00000
72 21G+3 0.00000 0.00000 0.00000 0.00000 0.00000
73 21G-3 -0.62287 0.00000 0.00000 0.13368 0.00000
74 21G+4 0.00000 0.00000 0.98806 0.00000 -0.81080
75 21G-4 0.00000 -0.98806 0.00000 0.00000 0.00000
76 22G 0 0.04023 0.00000 0.00000 0.01475 0.00000
77 22G+1 0.00000 0.13999 0.00000 0.00000 0.00000
78 22G-1 0.00000 0.00000 0.13999 0.00000 0.04045
79 22G+2 0.00000 0.00000 0.01279 0.00000 -0.11005
80 22G-2 0.00000 0.01279 0.00000 0.00000 0.00000
81 22G+3 0.00000 0.00000 0.00000 0.00000 0.00000
82 22G-3 -0.09445 0.00000 0.00000 0.02811 0.00000
83 22G+4 0.00000 0.00000 0.05907 0.00000 0.21408
84 22G-4 0.00000 -0.05907 0.00000 0.00000 0.00000
85 23H 0 0.06315 0.00000 0.00000 0.12250 0.00000
86 23H+1 0.00000 -0.02906 0.00000 0.00000 0.00000
87 23H-1 0.00000 0.00000 -0.02906 0.00000 -0.01021
88 23H+2 0.00000 0.00000 -0.17266 0.00000 0.03147
89 23H-2 0.00000 -0.17266 0.00000 0.00000 0.00000
90 23H+3 0.00000 0.00000 0.00000 0.00000 0.00000
91 23H-3 0.19307 0.00000 0.00000 -0.10723 0.00000
92 23H+4 0.00000 0.00000 -0.21438 0.00000 -0.10884
93 23H-4 0.00000 0.21438 0.00000 0.00000 0.00000
94 23H+5 0.00000 -0.19262 0.00000 0.00000 0.00000
95 23H-5 0.00000 0.00000 0.19262 0.00000 -0.07600
96 2 H 1S -0.00310 0.00000 -0.01011 -0.01551 -0.00179
97 2S -0.00052 0.00000 0.26447 0.01077 -0.04752
98 3S 1.00289 0.00000 -3.43584 0.96310 0.51321
99 4S -1.35156 0.00000 -3.07292 -9.54092 -1.45713
100 5S -0.84911 0.00000 0.76787 -0.53048 0.50236
101 6PX 0.00000 -0.03250 0.00000 0.00000 0.00000
102 6PY -0.02440 0.00000 0.03544 -0.00249 0.00690
103 6PZ -0.00717 0.00000 -0.03622 0.02177 -0.01873
104 7PX 0.00000 0.15300 0.00000 0.00000 0.00000
105 7PY 0.12209 0.00000 -0.22163 0.00059 -0.04122
106 7PZ 0.03591 0.00000 0.18243 -0.10033 0.09041
107 8PX 0.00000 -0.87433 0.00000 0.00000 0.00000
108 8PY -0.97823 0.00000 2.01179 -0.54898 0.15533
109 8PZ -0.06869 0.00000 -1.25684 0.69110 -0.49463
110 9PX 0.00000 0.75890 0.00000 0.00000 0.00000
111 9PY 0.73216 0.00000 -0.02644 5.01711 0.96077
112 9PZ -1.51028 0.00000 0.38285 -1.15449 -0.04204
113 10D 0 -0.01978 0.00000 -0.02312 0.02611 0.02168
114 10D+1 0.00000 -0.00678 0.00000 0.00000 0.00000
115 10D-1 0.03436 0.00000 -0.00804 0.00900 0.00264
116 10D+2 0.00927 0.00000 -0.03050 0.02685 -0.01916
117 10D-2 0.00000 -0.00662 0.00000 0.00000 0.00000
118 11D 0 0.09327 0.00000 0.12880 -0.14946 -0.11402
119 11D+1 0.00000 0.03131 0.00000 0.00000 0.00000
120 11D-1 -0.18647 0.00000 0.06716 -0.06866 -0.01721
121 11D+2 -0.05857 0.00000 0.18190 -0.17684 0.08674
122 11D-2 0.00000 0.03150 0.00000 0.00000 0.00000
123 12D 0 -0.60064 0.00000 -0.21399 0.90965 0.67973
124 12D+1 0.00000 -0.15233 0.00000 0.00000 0.00000
125 12D-1 1.04965 0.00000 0.11361 0.40116 0.23661
126 12D+2 0.09462 0.00000 0.01255 1.22366 -0.14254
127 12D-2 0.00000 -0.06555 0.00000 0.00000 0.00000
128 13F 0 -0.00205 0.00000 0.00986 -0.00764 -0.00057
129 13F+1 0.00000 0.00080 0.00000 0.00000 0.00000
130 13F-1 0.00405 0.00000 0.00056 0.00719 0.00648
131 13F+2 -0.00753 0.00000 0.01502 -0.01457 -0.00277
132 13F-2 0.00000 0.00223 0.00000 0.00000 0.00000
133 13F+3 0.00000 0.00504 0.00000 0.00000 0.00000
134 13F-3 0.00378 0.00000 -0.00545 0.01554 0.00475
135 14F 0 0.01997 0.00000 -0.02757 0.05375 0.01990
136 14F+1 0.00000 0.00015 0.00000 0.00000 0.00000
137 14F-1 0.00407 0.00000 -0.03436 -0.06728 -0.05876
138 14F+2 0.05986 0.00000 -0.04302 0.09636 0.03049
139 14F-2 0.00000 -0.02187 0.00000 0.00000 0.00000
140 14F+3 0.00000 -0.02399 0.00000 0.00000 0.00000
141 14F-3 -0.01158 0.00000 -0.03600 -0.12687 -0.05143
142 15G 0 0.00217 0.00000 -0.00132 -0.00107 -0.00204
143 15G+1 0.00000 -0.00044 0.00000 0.00000 0.00000
144 15G-1 -0.00099 0.00000 -0.00039 -0.00461 -0.00267
145 15G+2 0.00299 0.00000 -0.00206 -0.00207 -0.00296
146 15G-2 0.00000 -0.00267 0.00000 0.00000 0.00000
147 15G+3 0.00000 -0.00338 0.00000 0.00000 0.00000
148 15G-3 -0.00365 0.00000 -0.00117 -0.00512 -0.00014
149 15G+4 -0.00094 0.00000 -0.00364 -0.00637 -0.00165
150 15G-4 0.00000 -0.00153 0.00000 0.00000 0.00000
151 3 H 1S -0.00310 -0.00876 0.00506 -0.01551 0.00090
152 2S -0.00052 0.22904 -0.13224 0.01077 0.02376
153 3S 1.00289 -2.97552 1.71792 0.96310 -0.25660
154 4S -1.35156 -2.66122 1.53646 -9.54092 0.72857
155 5S -0.84911 0.66500 -0.38394 -0.53048 -0.25118
156 6PX -0.02113 0.01845 -0.02942 -0.00215 0.01105
157 6PY 0.01220 -0.02942 -0.01551 0.00124 0.02603
158 6PZ -0.00717 -0.03137 0.01811 0.02177 0.00936
159 7PX 0.10573 -0.12797 0.16222 0.00051 -0.04818
160 7PY -0.06104 0.16222 0.05934 -0.00029 -0.12468
161 7PZ 0.03591 0.15799 -0.09122 -0.10033 -0.04521
162 8PX -0.84717 1.29026 -1.24973 -0.47543 0.33492
163 8PY 0.48911 -1.24973 -0.15280 0.27449 0.73542
164 8PZ -0.06869 -1.08846 0.62842 0.69110 0.24731
165 9PX 0.63407 0.16990 0.34006 4.34494 -1.24696
166 9PY -0.36608 0.34006 0.56257 -2.50855 -1.19904
167 9PZ -1.51028 0.33156 -0.19143 -1.15449 0.02102
168 10D 0 -0.01978 -0.02002 0.01156 0.02611 -0.01084
169 10D+1 0.02976 -0.00772 0.00054 0.00779 0.01196
170 10D-1 -0.01718 0.00054 -0.00710 -0.00450 0.02336
171 10D+2 -0.00463 0.01034 -0.01259 -0.01342 0.02750
172 10D-2 0.00802 -0.02453 0.01034 0.02325 0.02694
173 11D 0 0.09327 0.11155 -0.06440 -0.14946 0.05701
174 11D+1 -0.16149 0.05819 -0.01552 -0.05946 -0.05675
175 11D-1 0.09324 -0.01552 0.04027 0.03433 -0.11550
176 11D+2 0.02929 -0.06512 0.06910 0.08842 -0.14840
177 11D-2 -0.05073 0.14430 -0.06512 -0.15315 -0.13576
178 12D 0 -0.60064 -0.18532 0.10700 0.90965 -0.33987
179 12D+1 0.90903 0.04712 -0.11515 0.34742 0.20068
180 12D-1 -0.52483 -0.11515 -0.08585 -0.20058 0.58421
181 12D+2 -0.04731 -0.03381 -0.04602 -0.61183 0.86839
182 12D-2 0.08195 -0.00698 -0.03381 1.05972 0.58366
183 13F 0 -0.00205 0.00854 -0.00493 -0.00764 0.00029
184 13F+1 0.00351 0.00062 0.00010 0.00623 -0.00193
185 13F-1 -0.00203 0.00010 0.00074 -0.00359 0.00313
186 13F+2 0.00376 -0.00554 0.00543 0.00729 -0.00356
187 13F-2 -0.00652 0.01182 -0.00554 -0.01262 -0.00046
188 13F+3 0.00000 -0.00252 -0.00437 0.00000 0.00752
189 13F-3 0.00378 -0.00472 0.00273 0.01554 -0.00237
190 14F 0 0.01997 -0.02388 0.01379 0.05375 -0.00995
191 14F+1 0.00353 -0.02574 0.01495 -0.05826 0.02428
192 14F-1 -0.00204 0.01495 -0.00848 0.03364 -0.01671
193 14F+2 -0.02993 0.00916 -0.02716 -0.04818 0.02928
194 14F-2 0.05184 -0.03773 0.00916 0.08345 -0.00070
195 14F+3 0.00000 0.01200 0.02078 0.00000 -0.06993
196 14F-3 -0.01158 -0.03118 0.01800 -0.12687 0.02572
197 15G 0 0.00217 -0.00115 0.00066 -0.00107 0.00102
198 15G+1 -0.00085 -0.00041 -0.00002 -0.00399 0.00168
199 15G-1 0.00049 -0.00002 -0.00043 0.00230 0.00024
200 15G+2 -0.00149 -0.00026 -0.00252 0.00103 -0.00309
201 15G-2 0.00259 -0.00222 -0.00026 -0.00179 -0.00007
202 15G+3 0.00000 0.00169 0.00293 0.00000 -0.00267
203 15G-3 -0.00365 -0.00102 0.00059 -0.00512 0.00007
204 15G+4 0.00047 0.00224 0.00024 0.00318 0.00596
205 15G-4 0.00081 0.00234 -0.00224 0.00551 -0.00439
206 4 H 1S -0.00310 0.00876 0.00506 -0.01551 0.00090
207 2S -0.00052 -0.22904 -0.13224 0.01077 0.02376
208 3S 1.00289 2.97552 1.71792 0.96310 -0.25660
209 4S -1.35156 2.66122 1.53646 -9.54092 0.72857
210 5S -0.84911 -0.66500 -0.38394 -0.53048 -0.25118
211 6PX 0.02113 0.01845 0.02942 0.00215 -0.01105
212 6PY 0.01220 0.02942 -0.01551 0.00124 0.02603
213 6PZ -0.00717 0.03137 0.01811 0.02177 0.00936
214 7PX -0.10573 -0.12797 -0.16222 -0.00051 0.04818
215 7PY -0.06104 -0.16222 0.05934 -0.00029 -0.12468
216 7PZ 0.03591 -0.15799 -0.09122 -0.10033 -0.04521
217 8PX 0.84717 1.29026 1.24973 0.47543 -0.33492
218 8PY 0.48911 1.24973 -0.15280 0.27449 0.73542
219 8PZ -0.06869 1.08846 0.62842 0.69110 0.24731
220 9PX -0.63407 0.16990 -0.34006 -4.34494 1.24696
221 9PY -0.36608 -0.34006 0.56257 -2.50855 -1.19904
222 9PZ -1.51028 -0.33156 -0.19143 -1.15449 0.02102
223 10D 0 -0.01978 0.02002 0.01156 0.02611 -0.01084
224 10D+1 -0.02976 -0.00772 -0.00054 -0.00779 -0.01196
225 10D-1 -0.01718 -0.00054 -0.00710 -0.00450 0.02336
226 10D+2 -0.00463 -0.01034 -0.01259 -0.01342 0.02750
227 10D-2 -0.00802 -0.02453 -0.01034 -0.02325 -0.02694
228 11D 0 0.09327 -0.11155 -0.06440 -0.14946 0.05701
229 11D+1 0.16149 0.05819 0.01552 0.05946 0.05675
230 11D-1 0.09324 0.01552 0.04027 0.03433 -0.11550
231 11D+2 0.02929 0.06512 0.06910 0.08842 -0.14840
232 11D-2 0.05073 0.14430 0.06512 0.15315 0.13576
233 12D 0 -0.60064 0.18532 0.10700 0.90965 -0.33987
234 12D+1 -0.90903 0.04712 0.11515 -0.34742 -0.20068
235 12D-1 -0.52483 0.11515 -0.08585 -0.20058 0.58421
236 12D+2 -0.04731 0.03381 -0.04602 -0.61183 0.86839
237 12D-2 -0.08195 -0.00698 0.03381 -1.05972 -0.58366
238 13F 0 -0.00205 -0.00854 -0.00493 -0.00764 0.00029
239 13F+1 -0.00351 0.00062 -0.00010 -0.00623 0.00193
240 13F-1 -0.00203 -0.00010 0.00074 -0.00359 0.00313
241 13F+2 0.00376 0.00554 0.00543 0.00729 -0.00356
242 13F-2 0.00652 0.01182 0.00554 0.01262 0.00046
243 13F+3 0.00000 -0.00252 0.00437 0.00000 -0.00752
244 13F-3 0.00378 0.00472 0.00273 0.01554 -0.00237
245 14F 0 0.01997 0.02388 0.01379 0.05375 -0.00995
246 14F+1 -0.00353 -0.02574 -0.01495 0.05826 -0.02428
247 14F-1 -0.00204 -0.01495 -0.00848 0.03364 -0.01671
248 14F+2 -0.02993 -0.00916 -0.02716 -0.04818 0.02928
249 14F-2 -0.05184 -0.03773 -0.00916 -0.08345 0.00070
250 14F+3 0.00000 0.01200 -0.02078 0.00000 0.06993
251 14F-3 -0.01158 0.03118 0.01800 -0.12687 0.02572
252 15G 0 0.00217 0.00115 0.00066 -0.00107 0.00102
253 15G+1 0.00085 -0.00041 0.00002 0.00399 -0.00168
254 15G-1 0.00049 0.00002 -0.00043 0.00230 0.00024
255 15G+2 -0.00149 0.00026 -0.00252 0.00103 -0.00309
256 15G-2 -0.00259 -0.00222 0.00026 0.00179 0.00007
257 15G+3 0.00000 0.00169 -0.00293 0.00000 0.00267
258 15G-3 -0.00365 0.00102 0.00059 -0.00512 0.00007
259 15G+4 0.00047 -0.00224 0.00024 0.00318 0.00596
260 15G-4 -0.00081 0.00234 0.00224 -0.00551 0.00439
86 87 88 89 90
(E)--V (E)--V (E)--V (A1)--V (E)--V
Eigenvalues -- 2.41082 2.46055 2.46055 2.52396 2.73286
1 1 Si 1S 0.00000 0.00000 0.00000 0.03510 0.00000
2 2S 0.00000 0.00000 0.00000 -0.10751 0.00000
3 3S 0.00000 0.00000 0.00000 -0.00431 0.00000
4 4S 0.00000 0.00000 0.00000 -1.79238 0.00000
5 5S 0.00000 0.00000 0.00000 2.43928 0.00000
6 6S 0.00000 0.00000 0.00000 15.75835 0.00000
7 7S 0.00000 0.00000 0.00000 -1.64114 0.00000
8 8PX 0.03319 0.05561 0.00000 0.00000 0.00000
9 8PY 0.00000 0.00000 0.05561 0.00000 -0.06883
10 8PZ 0.00000 0.00000 0.00000 0.02484 0.00000
11 9PX -0.00485 0.17014 0.00000 0.00000 0.00000
12 9PY 0.00000 0.00000 0.17014 0.00000 0.04739
13 9PZ 0.00000 0.00000 0.00000 0.06594 0.00000
14 10PX 0.20359 1.27530 0.00000 0.00000 0.00000
15 10PY 0.00000 0.00000 1.27530 0.00000 -0.15547
16 10PZ 0.00000 0.00000 0.00000 0.40897 0.00000
17 11PX -1.51194 -8.09207 0.00000 0.00000 0.00000
18 11PY 0.00000 0.00000 -8.09207 0.00000 2.48106
19 11PZ 0.00000 0.00000 0.00000 -2.44525 0.00000
20 12PX -1.38098 -18.03485 0.00000 0.00000 0.00000
21 12PY 0.00000 0.00000 -18.03485 0.00000 -1.98235
22 12PZ 0.00000 0.00000 0.00000 -2.01742 0.00000
23 13PX 0.35729 -0.41511 0.00000 0.00000 0.00000
24 13PY 0.00000 0.00000 -0.41511 0.00000 -0.51191
25 13PZ 0.00000 0.00000 0.00000 0.21203 0.00000
26 14D 0 0.00000 0.00000 0.00000 -0.53360 0.00000
27 14D+1 0.18468 3.46239 0.00000 0.00000 0.00000
28 14D-1 0.00000 0.00000 3.46239 0.00000 0.67705
29 14D+2 0.00000 0.00000 5.62717 0.00000 1.04583
30 14D-2 -1.20280 5.62717 0.00000 0.00000 0.00000
31 15D 0 0.00000 0.00000 0.00000 -2.89249 0.00000
32 15D+1 1.11454 3.71429 0.00000 0.00000 0.00000
33 15D-1 0.00000 0.00000 3.71429 0.00000 -0.48489
34 15D+2 0.00000 0.00000 6.38472 0.00000 -2.08277
35 15D-2 -0.14826 6.38472 0.00000 0.00000 0.00000
36 16D 0 0.00000 0.00000 0.00000 0.06387 0.00000
37 16D+1 -0.28947 -0.23240 0.00000 0.00000 0.00000
38 16D-1 0.00000 0.00000 -0.23240 0.00000 -0.37982
39 16D+2 0.00000 0.00000 -0.50287 0.00000 -0.18994
40 16D-2 -0.03641 -0.50287 0.00000 0.00000 0.00000
41 17D 0 0.00000 0.00000 0.00000 -0.02436 0.00000
42 17D+1 -0.01660 -0.06397 0.00000 0.00000 0.00000
43 17D-1 0.00000 0.00000 -0.06397 0.00000 -0.04338
44 17D+2 0.00000 0.00000 -0.09040 0.00000 -0.08221
45 17D-2 -0.02744 -0.09040 0.00000 0.00000 0.00000
46 18F 0 0.00000 0.00000 0.00000 -0.06351 0.00000
47 18F+1 -0.11765 0.75250 0.00000 0.00000 0.00000
48 18F-1 0.00000 0.00000 0.75250 0.00000 0.26460
49 18F+2 0.00000 0.00000 -1.61398 0.00000 -0.77987
50 18F-2 0.78110 -1.61398 0.00000 0.00000 0.00000
51 18F+3 0.00000 0.00000 0.00000 0.00000 0.00000
52 18F-3 0.00000 0.00000 0.00000 0.23405 0.00000
53 19F 0 0.00000 0.00000 0.00000 0.54303 0.00000
54 19F+1 0.17553 -0.06037 0.00000 0.00000 0.00000
55 19F-1 0.00000 0.00000 -0.06037 0.00000 0.03199
56 19F+2 0.00000 0.00000 -0.65460 0.00000 1.64738
57 19F-2 0.35109 -0.65460 0.00000 0.00000 0.00000
58 19F+3 0.00000 0.00000 0.00000 0.00000 0.00000
59 19F-3 0.00000 0.00000 0.00000 -2.01944 0.00000
60 20F 0 0.00000 0.00000 0.00000 0.04002 0.00000
61 20F+1 0.00639 0.20719 0.00000 0.00000 0.00000
62 20F-1 0.00000 0.00000 0.20719 0.00000 0.06838
63 20F+2 0.00000 0.00000 -0.26046 0.00000 -0.27025
64 20F-2 -0.08714 -0.26046 0.00000 0.00000 0.00000
65 20F+3 0.00000 0.00000 0.00000 0.00000 0.00000
66 20F-3 0.00000 0.00000 0.00000 0.04789 0.00000
67 21G 0 0.00000 0.00000 0.00000 0.32268 0.00000
68 21G+1 -0.24182 -0.07357 0.00000 0.00000 0.00000
69 21G-1 0.00000 0.00000 -0.07357 0.00000 -0.05732
70 21G+2 0.00000 0.00000 -0.00180 0.00000 -0.14205
71 21G-2 -0.79984 -0.00180 0.00000 0.00000 0.00000
72 21G+3 0.00000 0.00000 0.00000 0.00000 0.00000
73 21G-3 0.00000 0.00000 0.00000 -0.23887 0.00000
74 21G+4 0.00000 0.00000 0.18412 0.00000 -0.54961
75 21G-4 -0.81080 -0.18412 0.00000 0.00000 0.00000
76 22G 0 0.00000 0.00000 0.00000 0.00188 0.00000
77 22G+1 -0.04045 -0.19438 0.00000 0.00000 0.00000
78 22G-1 0.00000 0.00000 -0.19438 0.00000 -0.03535
79 22G+2 0.00000 0.00000 -0.07252 0.00000 0.02058
80 22G-2 0.11005 -0.07252 0.00000 0.00000 0.00000
81 22G+3 0.00000 0.00000 0.00000 0.00000 0.00000
82 22G-3 0.00000 0.00000 0.00000 0.13670 0.00000
83 22G+4 0.00000 0.00000 -0.19567 0.00000 0.02316
84 22G-4 0.21408 0.19567 0.00000 0.00000 0.00000
85 23H 0 0.00000 0.00000 0.00000 -0.04563 0.00000
86 23H+1 0.01021 0.00980 0.00000 0.00000 0.00000
87 23H-1 0.00000 0.00000 0.00980 0.00000 0.02358
88 23H+2 0.00000 0.00000 0.05394 0.00000 -0.01254
89 23H-2 -0.03147 0.05394 0.00000 0.00000 0.00000
90 23H+3 0.00000 0.00000 0.00000 0.00000 0.00000
91 23H-3 0.00000 0.00000 0.00000 0.08636 0.00000
92 23H+4 0.00000 0.00000 -0.03505 0.00000 0.05079
93 23H-4 -0.10884 0.03505 0.00000 0.00000 0.00000
94 23H+5 -0.07600 0.09502 0.00000 0.00000 0.00000
95 23H-5 0.00000 0.00000 -0.09502 0.00000 0.05129
96 2 H 1S 0.00000 0.00000 0.03561 -0.01422 -0.01056
97 2S 0.00000 0.00000 -0.40383 -0.18049 -0.63160
98 3S 0.00000 0.00000 0.49380 -0.21736 0.52485
99 4S 0.00000 0.00000 24.32142 -6.64728 -0.77651
100 5S 0.00000 0.00000 0.12391 0.85918 1.17336
101 6PX -0.03240 -0.00321 0.00000 0.00000 0.00000
102 6PY 0.00000 0.00000 -0.02292 0.03384 0.05793
103 6PZ 0.00000 0.00000 0.00310 -0.02820 -0.00260
104 7PX 0.15250 0.02346 0.00000 0.00000 0.00000
105 7PY 0.00000 0.00000 0.18017 -0.17460 -0.27346
106 7PZ 0.00000 0.00000 -0.03751 0.14190 0.01125
107 8PX -0.92878 -0.16575 0.00000 0.00000 0.00000
108 8PY 0.00000 0.00000 -0.59897 0.93819 1.57543
109 8PZ 0.00000 0.00000 0.06567 -0.80122 -0.04734
110 9PX 1.91897 -0.66537 0.00000 0.00000 0.00000
111 9PY 0.00000 0.00000 -10.56373 3.16419 0.52348
112 9PZ 0.00000 0.00000 3.20911 -1.18234 -0.19633
113 10D 0 0.00000 0.00000 -0.01553 0.00746 0.01518
114 10D+1 -0.03026 -0.00466 0.00000 0.00000 0.00000
115 10D-1 0.00000 0.00000 -0.01743 0.02248 0.00983
116 10D+2 0.00000 0.00000 -0.03514 0.02454 0.03052
117 10D-2 -0.04305 0.00118 0.00000 0.00000 0.00000
118 11D 0 0.00000 0.00000 0.10392 -0.04385 -0.08431
119 11D+1 0.14826 0.02592 0.00000 0.00000 0.00000
120 11D-1 0.00000 0.00000 0.12375 -0.12719 -0.05443
121 11D+2 0.00000 0.00000 0.23288 -0.13849 -0.16157
122 11D-2 0.22678 -0.00909 0.00000 0.00000 0.00000
123 12D 0 0.00000 0.00000 -1.22479 0.33234 0.54132
124 12D+1 -0.70007 -0.21343 0.00000 0.00000 0.00000
125 12D-1 0.00000 0.00000 -1.52255 1.09995 0.33589
126 12D+2 0.00000 0.00000 -2.63348 1.07090 0.88189
127 12D-2 -1.20537 0.40337 0.00000 0.00000 0.00000
128 13F 0 0.00000 0.00000 0.01156 -0.00016 0.00368
129 13F+1 -0.00201 0.00159 0.00000 0.00000 0.00000
130 13F-1 0.00000 0.00000 -0.00963 0.00126 0.00185
131 13F+2 0.00000 0.00000 0.01570 -0.00337 -0.00344
132 13F-2 0.00382 -0.00383 0.00000 0.00000 0.00000
133 13F+3 0.00868 -0.00497 0.00000 0.00000 0.00000
134 13F-3 0.00000 0.00000 -0.02072 -0.00045 -0.00964
135 14F 0 0.00000 0.00000 -0.12457 0.02555 -0.01607
136 14F+1 0.00269 -0.00625 0.00000 0.00000 0.00000
137 14F-1 0.00000 0.00000 0.09959 -0.00778 -0.01520
138 14F+2 0.00000 0.00000 -0.17073 0.05437 0.02758
139 14F-2 -0.02888 0.03607 0.00000 0.00000 0.00000
140 14F+3 -0.08074 0.05216 0.00000 0.00000 0.00000
141 14F-3 0.00000 0.00000 0.22044 -0.02376 0.05488
142 15G 0 0.00000 0.00000 0.00012 -0.00022 0.00049
143 15G+1 -0.00121 0.00027 0.00000 0.00000 0.00000
144 15G-1 0.00000 0.00000 0.00806 -0.00346 -0.00114
145 15G+2 0.00000 0.00000 0.00133 -0.00083 0.00098
146 15G-2 0.00313 0.00098 0.00000 0.00000 0.00000
147 15G+3 -0.00309 0.00081 0.00000 0.00000 0.00000
148 15G-3 0.00000 0.00000 0.00907 -0.00410 -0.00169
149 15G+4 0.00000 0.00000 0.00918 -0.00355 0.00016
150 15G-4 0.00849 0.00002 0.00000 0.00000 0.00000
151 3 H 1S 0.00155 0.03084 -0.01780 -0.01422 0.00528
152 2S 0.04115 -0.34973 0.20192 -0.18049 0.31580
153 3S -0.44445 0.42764 -0.24690 -0.21736 -0.26242
154 4S 1.26191 21.06297 -12.16071 -6.64728 0.38826
155 5S -0.43506 0.10731 -0.06195 0.85918 -0.58668
156 6PX -0.01327 -0.01799 0.00853 0.02931 -0.01341
157 6PY -0.01105 0.00853 -0.00814 -0.01692 0.03469
158 6PZ 0.01622 0.00269 -0.00155 -0.02820 0.00130
159 7PX 0.06904 0.14099 -0.06785 -0.15121 0.06085
160 7PY 0.04818 -0.06785 0.06264 0.08730 -0.16806
161 7PZ -0.07830 -0.03248 0.01875 0.14190 -0.00563
162 8PX -0.34869 -0.49066 0.18759 0.81249 -0.32419
163 8PY -0.33492 0.18759 -0.27406 -0.46909 1.01392
164 8PZ 0.42836 0.05687 -0.03284 -0.80122 0.02367
165 9PX -0.24083 -8.08914 4.28612 2.74026 -0.09442
166 9PY 1.24696 4.28612 -3.13996 -1.58209 0.35994
167 9PZ 0.03641 2.77917 -1.60456 -1.18234 0.09816
168 10D 0 -0.01878 -0.01345 0.00777 0.00746 -0.00759
169 10D+1 -0.00954 -0.01423 0.00553 0.01947 -0.00367
170 10D-1 -0.01196 0.00553 -0.00785 -0.01124 0.00347
171 10D+2 -0.02694 0.01573 -0.00790 -0.01227 -0.00441
172 10D-2 0.00361 -0.02606 0.01573 0.02125 -0.02017
173 11D 0 0.09874 0.08999 -0.05196 -0.04385 0.04216
174 11D+1 0.04998 0.09929 -0.04236 -0.11015 0.01926
175 11D-1 0.05675 -0.04236 0.05037 0.06359 -0.02107
176 11D+2 0.13576 -0.10478 0.05140 0.06925 0.02907
177 11D-2 -0.00836 0.17238 -0.10478 -0.11994 0.11007
178 12D 0 -0.58867 -1.06070 0.61239 0.33234 -0.27066
179 12D+1 -0.35248 -1.19527 0.56687 0.95259 -0.06325
180 12D-1 -0.20068 0.56687 -0.54071 -0.54998 0.22634
181 12D+2 -0.58366 1.31499 -0.35584 -0.53545 -0.38615
182 12D-2 -0.19444 -1.87426 1.31499 0.92743 -0.73210
183 13F 0 0.00050 0.01001 -0.00578 -0.00016 -0.00184
184 13F+1 -0.00536 -0.00682 0.00486 0.00109 -0.00052
185 13F-1 0.00193 0.00486 -0.00121 -0.00063 0.00094
186 13F+2 0.00046 -0.00846 0.00105 0.00169 0.00150
187 13F-2 0.00303 0.01081 -0.00846 -0.00292 0.00285
188 13F+3 -0.00434 0.00249 0.00430 0.00000 -0.00071
189 13F-3 -0.00411 -0.01794 0.01036 -0.00045 0.00482
190 14F 0 -0.01723 -0.10788 0.06228 0.02555 0.00804
191 14F+1 0.04474 0.07313 -0.04583 -0.00674 0.00235
192 14F-1 -0.02428 -0.04583 0.02021 0.00389 -0.01112
193 14F+2 0.00070 0.08955 -0.01563 -0.02718 -0.01501
194 14F-2 -0.03009 -0.11903 0.08955 0.04708 -0.02459
195 14F+3 0.04037 -0.02608 -0.04517 0.00000 0.03052
196 14F-3 0.04454 0.19091 -0.11022 -0.02376 -0.02744
197 15G 0 0.00177 0.00010 -0.00006 -0.00022 -0.00025
198 15G+1 0.00170 0.00611 -0.00337 -0.00299 0.00046
199 15G-1 -0.00168 -0.00337 0.00222 0.00173 -0.00035
200 15G+2 0.00007 -0.00015 0.00107 0.00042 0.00136
201 15G-2 0.00300 0.00124 -0.00015 -0.00072 0.00022
202 15G+3 0.00154 -0.00040 -0.00070 0.00000 -0.00021
203 15G-3 0.00013 0.00785 -0.00453 -0.00410 0.00084
204 15G+4 -0.00439 -0.00398 0.00228 0.00178 -0.00229
205 15G-4 0.00088 -0.00688 0.00398 0.00308 0.00142
206 4 H 1S -0.00155 -0.03084 -0.01780 -0.01422 0.00528
207 2S -0.04115 0.34973 0.20192 -0.18049 0.31580
208 3S 0.44445 -0.42764 -0.24690 -0.21736 -0.26242
209 4S -1.26191 -21.06297 -12.16071 -6.64728 0.38826
210 5S 0.43506 -0.10731 -0.06195 0.85918 -0.58668
211 6PX -0.01327 -0.01799 -0.00853 -0.02931 0.01341
212 6PY 0.01105 -0.00853 -0.00814 -0.01692 0.03469
213 6PZ -0.01622 -0.00269 -0.00155 -0.02820 0.00130
214 7PX 0.06904 0.14099 0.06785 0.15121 -0.06085
215 7PY -0.04818 0.06785 0.06264 0.08730 -0.16806
216 7PZ 0.07830 0.03248 0.01875 0.14190 -0.00563
217 8PX -0.34869 -0.49066 -0.18759 -0.81249 0.32419
218 8PY 0.33492 -0.18759 -0.27406 -0.46909 1.01392
219 8PZ -0.42836 -0.05687 -0.03284 -0.80122 0.02367
220 9PX -0.24083 -8.08914 -4.28612 -2.74026 0.09442
221 9PY -1.24696 -4.28612 -3.13996 -1.58209 0.35994
222 9PZ -0.03641 -2.77917 -1.60456 -1.18234 0.09816
223 10D 0 0.01878 0.01345 0.00777 0.00746 -0.00759
224 10D+1 -0.00954 -0.01423 -0.00553 -0.01947 0.00367
225 10D-1 0.01196 -0.00553 -0.00785 -0.01124 0.00347
226 10D+2 0.02694 -0.01573 -0.00790 -0.01227 -0.00441
227 10D-2 0.00361 -0.02606 -0.01573 -0.02125 0.02017
228 11D 0 -0.09874 -0.08999 -0.05196 -0.04385 0.04216
229 11D+1 0.04998 0.09929 0.04236 0.11015 -0.01926
230 11D-1 -0.05675 0.04236 0.05037 0.06359 -0.02107
231 11D+2 -0.13576 0.10478 0.05140 0.06925 0.02907
232 11D-2 -0.00836 0.17238 0.10478 0.11994 -0.11007
233 12D 0 0.58867 1.06070 0.61239 0.33234 -0.27066
234 12D+1 -0.35248 -1.19527 -0.56687 -0.95259 0.06325
235 12D-1 0.20068 -0.56687 -0.54071 -0.54998 0.22634
236 12D+2 0.58366 -1.31499 -0.35584 -0.53545 -0.38615
237 12D-2 -0.19444 -1.87426 -1.31499 -0.92743 0.73210
238 13F 0 -0.00050 -0.01001 -0.00578 -0.00016 -0.00184
239 13F+1 -0.00536 -0.00682 -0.00486 -0.00109 0.00052
240 13F-1 -0.00193 -0.00486 -0.00121 -0.00063 0.00094
241 13F+2 -0.00046 0.00846 0.00105 0.00169 0.00150
242 13F-2 0.00303 0.01081 0.00846 0.00292 -0.00285
243 13F+3 -0.00434 0.00249 -0.00430 0.00000 0.00071
244 13F-3 0.00411 0.01794 0.01036 -0.00045 0.00482
245 14F 0 0.01723 0.10788 0.06228 0.02555 0.00804
246 14F+1 0.04474 0.07313 0.04583 0.00674 -0.00235
247 14F-1 0.02428 0.04583 0.02021 0.00389 -0.01112
248 14F+2 -0.00070 -0.08955 -0.01563 -0.02718 -0.01501
249 14F-2 -0.03009 -0.11903 -0.08955 -0.04708 0.02459
250 14F+3 0.04037 -0.02608 0.04517 0.00000 -0.03052
251 14F-3 -0.04454 -0.19091 -0.11022 -0.02376 -0.02744
252 15G 0 -0.00177 -0.00010 -0.00006 -0.00022 -0.00025
253 15G+1 0.00170 0.00611 0.00337 0.00299 -0.00046
254 15G-1 0.00168 0.00337 0.00222 0.00173 -0.00035
255 15G+2 -0.00007 0.00015 0.00107 0.00042 0.00136
256 15G-2 0.00300 0.00124 0.00015 0.00072 -0.00022
257 15G+3 0.00154 -0.00040 0.00070 0.00000 0.00021
258 15G-3 -0.00013 -0.00785 -0.00453 -0.00410 0.00084
259 15G+4 0.00439 0.00398 0.00228 0.00178 -0.00229
260 15G-4 0.00088 -0.00688 -0.00398 -0.00308 -0.00142
91 92 93 94 95
(E)--V (E)--V (E)--V (E)--V (E)--V
Eigenvalues -- 2.73286 2.91828 2.91828 2.94357 2.94357
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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 6S 0.00000 0.00000 0.00000 0.00000 0.00000
7 7S 0.00000 0.00000 0.00000 0.00000 0.00000
8 8PX -0.06883 0.00000 0.00968 0.05360 0.00000
9 8PY 0.00000 0.00968 0.00000 0.00000 0.05360
10 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
11 9PX 0.04739 0.00000 -0.01752 -0.09332 0.00000
12 9PY 0.00000 -0.01752 0.00000 0.00000 -0.09332
13 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
14 10PX -0.15547 0.00000 -0.02935 -0.18203 0.00000
15 10PY 0.00000 -0.02935 0.00000 0.00000 -0.18203
16 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000
17 11PX 2.48106 0.00000 0.05795 1.07252 0.00000
18 11PY 0.00000 0.05795 0.00000 0.00000 1.07252
19 11PZ 0.00000 0.00000 0.00000 0.00000 0.00000
20 12PX -1.98235 0.00000 0.02376 2.38848 0.00000
21 12PY 0.00000 0.02376 0.00000 0.00000 2.38848
22 12PZ 0.00000 0.00000 0.00000 0.00000 0.00000
23 13PX -0.51191 0.00000 -0.00444 0.18208 0.00000
24 13PY 0.00000 -0.00444 0.00000 0.00000 0.18208
25 13PZ 0.00000 0.00000 0.00000 0.00000 0.00000
26 14D 0 0.00000 0.00000 0.00000 0.00000 0.00000
27 14D+1 0.67705 0.00000 0.61083 -0.47416 0.00000
28 14D-1 0.00000 0.61083 0.00000 0.00000 -0.47416
29 14D+2 0.00000 -0.47635 0.00000 0.00000 0.09216
30 14D-2 1.04583 0.00000 -0.47635 0.09216 0.00000
31 15D 0 0.00000 0.00000 0.00000 0.00000 0.00000
32 15D+1 -0.48489 0.00000 3.63205 0.70932 0.00000
33 15D-1 0.00000 3.63205 0.00000 0.00000 0.70932
34 15D+2 0.00000 -2.54423 0.00000 0.00000 4.43017
35 15D-2 -2.08277 0.00000 -2.54423 4.43017 0.00000
36 16D 0 0.00000 0.00000 0.00000 0.00000 0.00000
37 16D+1 -0.37982 0.00000 -1.12077 -0.34126 0.00000
38 16D-1 0.00000 -1.12077 0.00000 0.00000 -0.34126
39 16D+2 0.00000 0.67370 0.00000 0.00000 -1.40522
40 16D-2 -0.18994 0.00000 0.67370 -1.40522 0.00000
41 17D 0 0.00000 0.00000 0.00000 0.00000 0.00000
42 17D+1 -0.04338 0.00000 0.02741 0.01203 0.00000
43 17D-1 0.00000 0.02741 0.00000 0.00000 0.01203
44 17D+2 0.00000 -0.02395 0.00000 0.00000 0.04928
45 17D-2 -0.08221 0.00000 -0.02395 0.04928 0.00000
46 18F 0 0.00000 0.00000 0.00000 0.00000 0.00000
47 18F+1 0.26460 0.00000 -0.35831 -0.14399 0.00000
48 18F-1 0.00000 -0.35831 0.00000 0.00000 -0.14399
49 18F+2 0.00000 -0.28353 0.00000 0.00000 -0.26529
50 18F-2 -0.77987 0.00000 -0.28353 -0.26529 0.00000
51 18F+3 0.00000 0.00000 0.00000 0.00000 0.00000
52 18F-3 0.00000 0.00000 0.00000 0.00000 0.00000
53 19F 0 0.00000 0.00000 0.00000 0.00000 0.00000
54 19F+1 0.03199 0.00000 -2.00979 -0.16890 0.00000
55 19F-1 0.00000 -2.00979 0.00000 0.00000 -0.16890
56 19F+2 0.00000 -1.15532 0.00000 0.00000 -2.22780
57 19F-2 1.64738 0.00000 -1.15532 -2.22780 0.00000
58 19F+3 0.00000 0.00000 0.00000 0.00000 0.00000
59 19F-3 0.00000 0.00000 0.00000 0.00000 0.00000
60 20F 0 0.00000 0.00000 0.00000 0.00000 0.00000
61 20F+1 0.06838 0.00000 0.23657 0.02070 0.00000
62 20F-1 0.00000 0.23657 0.00000 0.00000 0.02070
63 20F+2 0.00000 0.10386 0.00000 0.00000 0.20828
64 20F-2 -0.27025 0.00000 0.10386 0.20828 0.00000
65 20F+3 0.00000 0.00000 0.00000 0.00000 0.00000
66 20F-3 0.00000 0.00000 0.00000 0.00000 0.00000
67 21G 0 0.00000 0.00000 0.00000 0.00000 0.00000
68 21G+1 -0.05732 0.00000 -0.36100 -0.28623 0.00000
69 21G-1 0.00000 -0.36100 0.00000 0.00000 -0.28623
70 21G+2 0.00000 1.42865 0.00000 0.00000 0.01082
71 21G-2 -0.14205 0.00000 1.42865 0.01082 0.00000
72 21G+3 0.00000 0.00000 0.00000 0.00000 0.00000
73 21G-3 0.00000 0.00000 0.00000 0.00000 0.00000
74 21G+4 0.00000 -0.10253 0.00000 0.00000 0.72895
75 21G-4 0.54961 0.00000 0.10253 -0.72895 0.00000
76 22G 0 0.00000 0.00000 0.00000 0.00000 0.00000
77 22G+1 -0.03535 0.00000 0.00107 -0.11699 0.00000
78 22G-1 0.00000 0.00107 0.00000 0.00000 -0.11699
79 22G+2 0.00000 -0.04393 0.00000 0.00000 -0.07040
80 22G-2 0.02058 0.00000 -0.04393 -0.07040 0.00000
81 22G+3 0.00000 0.00000 0.00000 0.00000 0.00000
82 22G-3 0.00000 0.00000 0.00000 0.00000 0.00000
83 22G+4 0.00000 -0.04727 0.00000 0.00000 -0.18772
84 22G-4 -0.02316 0.00000 0.04727 0.18772 0.00000
85 23H 0 0.00000 0.00000 0.00000 0.00000 0.00000
86 23H+1 0.02358 0.00000 -0.00137 -0.10559 0.00000
87 23H-1 0.00000 -0.00137 0.00000 0.00000 -0.10559
88 23H+2 0.00000 -0.01834 0.00000 0.00000 0.20047
89 23H-2 -0.01254 0.00000 -0.01834 0.20047 0.00000
90 23H+3 0.00000 0.00000 0.00000 0.00000 0.00000
91 23H-3 0.00000 0.00000 0.00000 0.00000 0.00000
92 23H+4 0.00000 0.15498 0.00000 0.00000 0.22275
93 23H-4 -0.05079 0.00000 -0.15498 -0.22275 0.00000
94 23H+5 -0.05129 0.00000 -0.13982 0.30291 0.00000
95 23H-5 0.00000 0.13982 0.00000 0.00000 -0.30291
96 2 H 1S 0.00000 0.00100 0.00000 0.00000 0.01745
97 2S 0.00000 -0.04048 0.00000 0.00000 -0.82936
98 3S 0.00000 0.16616 0.00000 0.00000 4.32251
99 4S 0.00000 -0.36045 0.00000 0.00000 -4.27281
100 5S 0.00000 0.02246 0.00000 0.00000 0.23216
101 6PX 0.02695 0.00000 0.00952 -0.02987 0.00000
102 6PY 0.00000 -0.01539 0.00000 0.00000 -0.01393
103 6PZ 0.00000 -0.04580 0.00000 0.00000 -0.01071
104 7PX -0.13293 0.00000 -0.05283 0.14755 0.00000
105 7PY 0.00000 0.07972 0.00000 0.00000 0.13750
106 7PZ 0.00000 0.22663 0.00000 0.00000 0.02742
107 8PX 0.82674 0.00000 0.35302 -0.98949 0.00000
108 8PY 0.00000 -0.52475 0.00000 0.00000 -1.64437
109 8PZ 0.00000 -1.47003 0.00000 0.00000 0.05638
110 9PX 0.30543 0.00000 0.91326 -2.01104 0.00000
111 9PY 0.00000 -0.47746 0.00000 0.00000 1.81607
112 9PZ 0.00000 -2.21019 0.00000 0.00000 -0.88323
113 10D 0 0.00000 -0.01383 0.00000 0.00000 0.01630
114 10D+1 0.00135 0.00000 0.00581 -0.00398 0.00000
115 10D-1 0.00000 0.03316 0.00000 0.00000 0.03904
116 10D+2 0.00000 -0.01065 0.00000 0.00000 0.04308
117 10D-2 -0.01606 0.00000 -0.00522 0.03064 0.00000
118 11D 0 0.00000 0.09096 0.00000 0.00000 -0.10233
119 11D+1 -0.00994 0.00000 -0.04073 0.03378 0.00000
120 11D-1 0.00000 -0.20327 0.00000 0.00000 -0.23358
121 11D+2 0.00000 0.06505 0.00000 0.00000 -0.26948
122 11D-2 0.09261 0.00000 0.04295 -0.18403 0.00000
123 12D 0 0.00000 -1.00862 0.00000 0.00000 0.06438
124 12D+1 0.18983 0.00000 0.46805 -0.50199 0.00000
125 12D-1 0.00000 1.87043 0.00000 0.00000 0.65330
126 12D+2 0.00000 -0.64135 0.00000 0.00000 0.52250
127 12D-2 -0.80883 0.00000 -0.77068 1.77463 0.00000
128 13F 0 0.00000 -0.01034 0.00000 0.00000 -0.02403
129 13F+1 0.00064 0.00000 -0.00283 -0.00332 0.00000
130 13F-1 0.00000 -0.01451 0.00000 0.00000 -0.00670
131 13F+2 0.00000 -0.00392 0.00000 0.00000 0.01148
132 13F-2 0.00315 0.00000 0.00842 -0.01109 0.00000
133 13F+3 0.00082 0.00000 0.00743 -0.00717 0.00000
134 13F-3 0.00000 -0.00029 0.00000 0.00000 0.02462
135 14F 0 0.00000 0.08437 0.00000 0.00000 0.10863
136 14F+1 -0.00976 0.00000 0.01100 0.02202 0.00000
137 14F-1 0.00000 0.14862 0.00000 0.00000 0.06369
138 14F+2 0.00000 0.06360 0.00000 0.00000 -0.12421
139 14F-2 -0.02921 0.00000 -0.08552 0.11092 0.00000
140 14F+3 -0.03524 0.00000 -0.09855 0.09863 0.00000
141 14F-3 0.00000 0.02509 0.00000 0.00000 -0.08823
142 15G 0 0.00000 0.00413 0.00000 0.00000 -0.00160
143 15G+1 -0.00008 0.00000 -0.00186 0.00144 0.00000
144 15G-1 0.00000 -0.00083 0.00000 0.00000 -0.00194
145 15G+2 0.00000 0.00680 0.00000 0.00000 -0.00296
146 15G-2 0.00148 0.00000 0.00158 0.00227 0.00000
147 15G+3 0.00025 0.00000 -0.00630 0.00673 0.00000
148 15G-3 0.00000 -0.00325 0.00000 0.00000 0.00095
149 15G+4 0.00000 0.00189 0.00000 0.00000 -0.00033
150 15G-4 0.00310 0.00000 0.00733 -0.00501 0.00000
151 3 H 1S -0.00914 -0.00050 0.00087 0.01511 -0.00872
152 2S -0.54698 0.02024 -0.03506 -0.71825 0.41468
153 3S 0.45453 -0.08308 0.14390 3.74340 -2.16126
154 4S -0.67248 0.18023 -0.31216 -3.70037 2.13641
155 5S 1.01616 -0.01123 0.01945 0.20105 -0.11608
156 6PX 0.05018 0.01079 -0.00917 -0.01791 -0.00690
157 6PY -0.01341 0.00329 0.01079 -0.00690 -0.02588
158 6PZ -0.00225 0.02290 -0.03967 -0.00927 0.00535
159 7PX -0.23833 -0.05739 0.04658 0.14001 0.00435
160 7PY 0.06085 -0.01969 -0.05739 0.00435 0.14504
161 7PZ 0.00974 -0.11332 0.19627 0.02374 -0.01371
162 8PX 1.38826 0.38008 -0.30531 -1.48065 0.28357
163 8PY -0.32419 0.13358 0.38008 0.28357 -1.15321
164 8PZ -0.04100 0.73501 -1.27308 0.04883 -0.02819
165 9PX 0.46897 0.60220 -0.12978 0.85929 -1.65718
166 9PY -0.09442 0.56558 0.60220 -1.65718 -1.05426
167 9PZ -0.17003 1.10510 -1.91408 -0.76490 0.44162
168 10D 0 0.01314 0.00691 -0.01198 0.01411 -0.00815
169 10D+1 0.00771 -0.01184 0.02632 0.02829 -0.01863
170 10D-1 -0.00367 0.01265 -0.01184 -0.01863 0.00678
171 10D+2 -0.02017 -0.00658 0.00235 -0.00539 0.03375
172 10D-2 0.01887 0.00235 -0.00929 0.03997 -0.00539
173 11D 0 -0.07302 -0.04548 0.07877 -0.08862 0.05117
174 11D+1 -0.04331 0.07038 -0.16263 -0.16674 0.11577
175 11D-1 0.01926 -0.08136 0.07038 0.11577 -0.03306
176 11D+2 0.11007 0.04848 -0.00957 0.03700 -0.20539
177 11D-2 -0.09803 -0.00957 0.05952 -0.24811 0.03700
178 12D 0 0.46880 0.50431 -0.87349 0.05575 -0.03219
179 12D+1 0.29938 -0.60725 1.51983 0.36448 -0.50025
180 12D-1 -0.06325 0.81865 -0.60725 -0.50025 -0.21316
181 12D+2 -0.73210 -0.73834 -0.05600 0.54219 1.46160
182 12D-2 0.45921 -0.05600 -0.67368 0.83553 0.54219
183 13F 0 0.00318 0.00517 -0.00896 -0.02081 0.01201
184 13F+1 0.00155 0.00506 -0.01159 -0.00585 0.00146
185 13F-1 -0.00052 -0.00575 0.00506 0.00146 -0.00417
186 13F+2 0.00285 0.00533 0.00535 -0.00977 -0.00545
187 13F-2 -0.00179 0.00535 -0.00084 0.00584 -0.00977
188 13F+3 -0.00041 -0.00643 -0.00372 0.00359 0.00621
189 13F-3 -0.00835 0.00014 -0.00025 0.02133 -0.01231
190 14F 0 -0.01392 -0.04218 0.07306 0.09407 -0.05431
191 14F+1 -0.01384 -0.05959 0.11422 0.05327 -0.01804
192 14F-1 0.00235 0.04540 -0.05959 -0.01804 0.03244
193 14F+2 -0.02459 -0.04824 -0.06457 0.10182 0.05214
194 14F-2 0.01338 -0.06457 0.02632 -0.06543 0.10182
195 14F+3 0.01762 0.08535 0.04928 -0.04931 -0.08541
196 14F-3 0.04752 -0.01254 0.02173 -0.07641 0.04412
197 15G 0 0.00043 -0.00206 0.00358 -0.00138 0.00080
198 15G+1 -0.00087 -0.00045 -0.00109 -0.00110 0.00146
199 15G-1 0.00046 -0.00160 -0.00045 0.00146 0.00059
200 15G+2 0.00022 0.00289 -0.00226 0.00226 0.00096
201 15G-2 0.00110 -0.00226 0.00550 -0.00165 0.00226
202 15G+3 -0.00012 0.00545 0.00315 -0.00337 -0.00583
203 15G-3 -0.00146 0.00163 -0.00281 0.00082 -0.00047
204 15G+4 -0.00142 -0.00502 -0.00399 0.00231 0.00367
205 15G-4 0.00065 0.00399 0.00041 -0.00100 -0.00231
206 4 H 1S 0.00914 -0.00050 -0.00087 -0.01511 -0.00872
207 2S 0.54698 0.02024 0.03506 0.71825 0.41468
208 3S -0.45453 -0.08308 -0.14390 -3.74340 -2.16126
209 4S 0.67248 0.18023 0.31216 3.70037 2.13641
210 5S -1.01616 -0.01123 -0.01945 -0.20105 -0.11608
211 6PX 0.05018 -0.01079 -0.00917 -0.01791 0.00690
212 6PY 0.01341 0.00329 -0.01079 0.00690 -0.02588
213 6PZ 0.00225 0.02290 0.03967 0.00927 0.00535
214 7PX -0.23833 0.05739 0.04658 0.14001 -0.00435
215 7PY -0.06085 -0.01969 0.05739 -0.00435 0.14504
216 7PZ -0.00974 -0.11332 -0.19627 -0.02374 -0.01371
217 8PX 1.38826 -0.38008 -0.30531 -1.48065 -0.28357
218 8PY 0.32419 0.13358 -0.38008 -0.28357 -1.15321
219 8PZ 0.04100 0.73501 1.27308 -0.04883 -0.02819
220 9PX 0.46897 -0.60220 -0.12978 0.85929 1.65718
221 9PY 0.09442 0.56558 -0.60220 1.65718 -1.05426
222 9PZ 0.17003 1.10510 1.91408 0.76490 0.44162
223 10D 0 -0.01314 0.00691 0.01198 -0.01411 -0.00815
224 10D+1 0.00771 0.01184 0.02632 0.02829 0.01863
225 10D-1 0.00367 0.01265 0.01184 0.01863 0.00678
226 10D+2 0.02017 -0.00658 -0.00235 0.00539 0.03375
227 10D-2 0.01887 -0.00235 -0.00929 0.03997 0.00539
228 11D 0 0.07302 -0.04548 -0.07877 0.08862 0.05117
229 11D+1 -0.04331 -0.07038 -0.16263 -0.16674 -0.11577
230 11D-1 -0.01926 -0.08136 -0.07038 -0.11577 -0.03306
231 11D+2 -0.11007 0.04848 0.00957 -0.03700 -0.20539
232 11D-2 -0.09803 0.00957 0.05952 -0.24811 -0.03700
233 12D 0 -0.46880 0.50431 0.87349 -0.05575 -0.03219
234 12D+1 0.29938 0.60725 1.51983 0.36448 0.50025
235 12D-1 0.06325 0.81865 0.60725 0.50025 -0.21316
236 12D+2 0.73210 -0.73834 0.05600 -0.54219 1.46160
237 12D-2 0.45921 0.05600 -0.67368 0.83553 -0.54219
238 13F 0 -0.00318 0.00517 0.00896 0.02081 0.01201
239 13F+1 0.00155 -0.00506 -0.01159 -0.00585 -0.00146
240 13F-1 0.00052 -0.00575 -0.00506 -0.00146 -0.00417
241 13F+2 -0.00285 0.00533 -0.00535 0.00977 -0.00545
242 13F-2 -0.00179 -0.00535 -0.00084 0.00584 0.00977
243 13F+3 -0.00041 0.00643 -0.00372 0.00359 -0.00621
244 13F-3 0.00835 0.00014 0.00025 -0.02133 -0.01231
245 14F 0 0.01392 -0.04218 -0.07306 -0.09407 -0.05431
246 14F+1 -0.01384 0.05959 0.11422 0.05327 0.01804
247 14F-1 -0.00235 0.04540 0.05959 0.01804 0.03244
248 14F+2 0.02459 -0.04824 0.06457 -0.10182 0.05214
249 14F-2 0.01338 0.06457 0.02632 -0.06543 -0.10182
250 14F+3 0.01762 -0.08535 0.04928 -0.04931 0.08541
251 14F-3 -0.04752 -0.01254 -0.02173 0.07641 0.04412
252 15G 0 -0.00043 -0.00206 -0.00358 0.00138 0.00080
253 15G+1 -0.00087 0.00045 -0.00109 -0.00110 -0.00146
254 15G-1 -0.00046 -0.00160 0.00045 -0.00146 0.00059
255 15G+2 -0.00022 0.00289 0.00226 -0.00226 0.00096
256 15G-2 0.00110 0.00226 0.00550 -0.00165 -0.00226
257 15G+3 -0.00012 -0.00545 0.00315 -0.00337 0.00583
258 15G-3 0.00146 0.00163 0.00281 -0.00082 -0.00047
259 15G+4 0.00142 -0.00502 0.00399 -0.00231 0.00367
260 15G-4 0.00065 -0.00399 0.00041 -0.00100 0.00231
96 97 98 99 100
(A1)--V (E)--V (E)--V (A2)--V (A1)--V
Eigenvalues -- 2.95521 3.16852 3.16852 3.21601 3.24285
1 1 Si 1S 0.02655 0.00000 0.00000 0.00000 0.01647
2 2S -0.02024 0.00000 0.00000 0.00000 -0.03068
3 3S 0.24627 0.00000 0.00000 0.00000 0.11645
4 4S 0.73357 0.00000 0.00000 0.00000 -0.07497
5 5S -7.98710 0.00000 0.00000 0.00000 -0.21700
6 6S 20.04006 0.00000 0.00000 0.00000 5.84679
7 7S -0.21452 0.00000 0.00000 0.00000 0.84217
8 8PX 0.00000 -0.06264 0.00000 0.00000 0.00000
9 8PY 0.00000 0.00000 -0.06264 0.00000 0.00000
10 8PZ 0.01126 0.00000 0.00000 0.00000 0.04371
11 9PX 0.00000 0.17626 0.00000 0.00000 0.00000
12 9PY 0.00000 0.00000 0.17626 0.00000 0.00000
13 9PZ -0.05118 0.00000 0.00000 0.00000 -0.20444
14 10PX 0.00000 0.49689 0.00000 0.00000 0.00000
15 10PY 0.00000 0.00000 0.49689 0.00000 0.00000
16 10PZ -0.12988 0.00000 0.00000 0.00000 -0.54660
17 11PX 0.00000 0.17104 0.00000 0.00000 0.00000
18 11PY 0.00000 0.00000 0.17104 0.00000 0.00000
19 11PZ 0.42525 0.00000 0.00000 0.00000 0.06589
20 12PX 0.00000 -3.15152 0.00000 0.00000 0.00000
21 12PY 0.00000 0.00000 -3.15152 0.00000 0.00000
22 12PZ -2.49326 0.00000 0.00000 0.00000 -1.19843
23 13PX 0.00000 -0.00705 0.00000 0.00000 0.00000
24 13PY 0.00000 0.00000 -0.00705 0.00000 0.00000
25 13PZ 0.21314 0.00000 0.00000 0.00000 0.03477
26 14D 0 -1.89606 0.00000 0.00000 0.00000 -0.48819
27 14D+1 0.00000 0.75109 0.00000 0.00000 0.00000
28 14D-1 0.00000 0.00000 0.75109 0.00000 0.00000
29 14D+2 0.00000 0.00000 1.30978 0.00000 0.00000
30 14D-2 0.00000 1.30978 0.00000 0.00000 0.00000
31 15D 0 -5.30471 0.00000 0.00000 0.00000 -0.78743
32 15D+1 0.00000 0.58122 0.00000 0.00000 0.00000
33 15D-1 0.00000 0.00000 0.58122 0.00000 0.00000
34 15D+2 0.00000 0.00000 0.78947 0.00000 0.00000
35 15D-2 0.00000 0.78947 0.00000 0.00000 0.00000
36 16D 0 1.77594 0.00000 0.00000 0.00000 0.07305
37 16D+1 0.00000 -0.29949 0.00000 0.00000 0.00000
38 16D-1 0.00000 0.00000 -0.29949 0.00000 0.00000
39 16D+2 0.00000 0.00000 -0.43980 0.00000 0.00000
40 16D-2 0.00000 -0.43980 0.00000 0.00000 0.00000
41 17D 0 0.00035 0.00000 0.00000 0.00000 -0.01061
42 17D+1 0.00000 -0.04327 0.00000 0.00000 0.00000
43 17D-1 0.00000 0.00000 -0.04327 0.00000 0.00000
44 17D+2 0.00000 0.00000 -0.07468 0.00000 0.00000
45 17D-2 0.00000 -0.07468 0.00000 0.00000 0.00000
46 18F 0 0.70691 0.00000 0.00000 0.00000 0.10043
47 18F+1 0.00000 0.29974 0.00000 0.00000 0.00000
48 18F-1 0.00000 0.00000 0.29974 0.00000 0.00000
49 18F+2 0.00000 0.00000 -0.71886 0.00000 0.00000
50 18F-2 0.00000 -0.71886 0.00000 0.00000 0.00000
51 18F+3 0.00000 0.00000 0.00000 1.80187 0.00000
52 18F-3 -1.93104 0.00000 0.00000 0.00000 0.06105
53 19F 0 0.52176 0.00000 0.00000 0.00000 0.00191
54 19F+1 0.00000 -0.11664 0.00000 0.00000 0.00000
55 19F-1 0.00000 0.00000 -0.11664 0.00000 0.00000
56 19F+2 0.00000 0.00000 0.18913 0.00000 0.00000
57 19F-2 0.00000 0.18913 0.00000 0.00000 0.00000
58 19F+3 0.00000 0.00000 0.00000 2.53489 0.00000
59 19F-3 -3.23056 0.00000 0.00000 0.00000 -0.68496
60 20F 0 0.04871 0.00000 0.00000 0.00000 -0.13232
61 20F+1 0.00000 0.16281 0.00000 0.00000 0.00000
62 20F-1 0.00000 0.00000 0.16281 0.00000 0.00000
63 20F+2 0.00000 0.00000 -0.38164 0.00000 0.00000
64 20F-2 0.00000 -0.38164 0.00000 0.00000 0.00000
65 20F+3 0.00000 0.00000 0.00000 0.51486 0.00000
66 20F-3 0.18544 0.00000 0.00000 0.00000 0.61750
67 21G 0 0.97926 0.00000 0.00000 0.00000 0.16933
68 21G+1 0.00000 -0.26783 0.00000 0.00000 0.00000
69 21G-1 0.00000 0.00000 -0.26783 0.00000 0.00000
70 21G+2 0.00000 0.00000 0.03505 0.00000 0.00000
71 21G-2 0.00000 0.03505 0.00000 0.00000 0.00000
72 21G+3 0.00000 0.00000 0.00000 -1.99811 0.00000
73 21G-3 0.61573 0.00000 0.00000 0.00000 -0.47554
74 21G+4 0.00000 0.00000 -0.39763 0.00000 0.00000
75 21G-4 0.00000 0.39763 0.00000 0.00000 0.00000
76 22G 0 0.01023 0.00000 0.00000 0.00000 0.01426
77 22G+1 0.00000 0.07567 0.00000 0.00000 0.00000
78 22G-1 0.00000 0.00000 0.07567 0.00000 0.00000
79 22G+2 0.00000 0.00000 0.03164 0.00000 0.00000
80 22G-2 0.00000 0.03164 0.00000 0.00000 0.00000
81 22G+3 0.00000 0.00000 0.00000 0.17563 0.00000
82 22G-3 0.16343 0.00000 0.00000 0.00000 0.26948
83 22G+4 0.00000 0.00000 0.06275 0.00000 0.00000
84 22G-4 0.00000 -0.06275 0.00000 0.00000 0.00000
85 23H 0 -0.15565 0.00000 0.00000 0.00000 -0.36798
86 23H+1 0.00000 0.02800 0.00000 0.00000 0.00000
87 23H-1 0.00000 0.00000 0.02800 0.00000 0.00000
88 23H+2 0.00000 0.00000 -0.25319 0.00000 0.00000
89 23H-2 0.00000 -0.25319 0.00000 0.00000 0.00000
90 23H+3 0.00000 0.00000 0.00000 -0.03249 0.00000
91 23H-3 0.08087 0.00000 0.00000 0.00000 -0.05553
92 23H+4 0.00000 0.00000 -0.24488 0.00000 0.00000
93 23H-4 0.00000 0.24488 0.00000 0.00000 0.00000
94 23H+5 0.00000 -0.15913 0.00000 0.00000 0.00000
95 23H-5 0.00000 0.00000 0.15913 0.00000 0.00000
96 2 H 1S -0.02103 0.00000 0.00833 0.00000 0.00265
97 2S 0.45194 0.00000 0.83047 0.00000 0.83476
98 3S -3.74816 0.00000 -0.77704 0.00000 -1.04226
99 4S -4.73635 0.00000 3.74561 0.00000 -1.78554
100 5S 0.28122 0.00000 -0.47178 0.00000 -0.38324
101 6PX 0.00000 0.00329 0.00000 0.03889 0.00000
102 6PY 0.01093 0.00000 -0.02509 0.00000 -0.02224
103 6PZ -0.02146 0.00000 0.00639 0.00000 0.00492
104 7PX 0.00000 -0.02149 0.00000 -0.18955 0.00000
105 7PY -0.10769 0.00000 0.13984 0.00000 0.11405
106 7PZ 0.12388 0.00000 -0.03845 0.00000 -0.02496
107 8PX 0.00000 0.18388 0.00000 1.27930 0.00000
108 8PY 1.02352 0.00000 -0.33725 0.00000 -0.30952
109 8PZ -0.92055 0.00000 0.06855 0.00000 -0.05571
110 9PX 0.00000 -0.22955 0.00000 1.96289 0.00000
111 9PY 0.93345 0.00000 -0.24403 0.00000 1.42331
112 9PZ -1.66283 0.00000 -0.01887 0.00000 -0.60464
113 10D 0 -0.02493 0.00000 0.00754 0.00000 0.00706
114 10D+1 0.00000 0.00531 0.00000 0.01094 0.00000
115 10D-1 -0.00326 0.00000 0.01879 0.00000 0.00291
116 10D+2 -0.02737 0.00000 0.01961 0.00000 0.00219
117 10D-2 0.00000 0.01302 0.00000 -0.04367 0.00000
118 11D 0 0.14538 0.00000 -0.02760 0.00000 -0.03200
119 11D+1 0.00000 -0.02903 0.00000 -0.06144 0.00000
120 11D-1 0.01176 0.00000 -0.08172 0.00000 -0.00634
121 11D+2 0.16592 0.00000 -0.07473 0.00000 0.00619
122 11D-2 0.00000 -0.06849 0.00000 0.25303 0.00000
123 12D 0 -0.73296 0.00000 0.13249 0.00000 0.15188
124 12D+1 0.00000 0.15846 0.00000 0.34557 0.00000
125 12D-1 0.79614 0.00000 0.27756 0.00000 0.31717
126 12D+2 -0.38602 0.00000 0.25462 0.00000 0.15598
127 12D-2 0.00000 0.13509 0.00000 -1.48045 0.00000
128 13F 0 0.00332 0.00000 0.02264 0.00000 0.00657
129 13F+1 0.00000 0.00207 0.00000 -0.00276 0.00000
130 13F-1 -0.00464 0.00000 -0.00881 0.00000 -0.01219
131 13F+2 -0.00561 0.00000 0.01808 0.00000 0.01279
132 13F-2 0.00000 -0.00676 0.00000 -0.01594 0.00000
133 13F+3 0.00000 0.00869 0.00000 -0.00372 0.00000
134 13F-3 -0.01080 0.00000 -0.02833 0.00000 -0.00765
135 14F 0 0.01217 0.00000 -0.14952 0.00000 -0.04100
136 14F+1 0.00000 -0.01446 0.00000 0.00947 0.00000
137 14F-1 0.04334 0.00000 0.05908 0.00000 0.08077
138 14F+2 0.08279 0.00000 -0.12340 0.00000 -0.07839
139 14F-2 0.00000 0.03921 0.00000 0.10765 0.00000
140 14F+3 0.00000 -0.06355 0.00000 0.00950 0.00000
141 14F-3 0.05423 0.00000 0.19079 0.00000 0.05266
142 15G 0 0.00331 0.00000 0.00034 0.00000 -0.00088
143 15G+1 0.00000 -0.00072 0.00000 -0.00033 0.00000
144 15G-1 -0.00091 0.00000 -0.00246 0.00000 -0.00121
145 15G+2 0.00394 0.00000 0.00027 0.00000 -0.00176
146 15G-2 0.00000 -0.00204 0.00000 0.00200 0.00000
147 15G+3 0.00000 -0.00015 0.00000 -0.00142 0.00000
148 15G-3 -0.00017 0.00000 -0.00155 0.00000 -0.00008
149 15G+4 0.00520 0.00000 -0.00134 0.00000 0.00248
150 15G-4 0.00000 -0.00235 0.00000 0.00318 0.00000
151 3 H 1S -0.02103 0.00721 -0.00416 0.00000 0.00265
152 2S 0.45194 0.71921 -0.41524 0.00000 0.83476
153 3S -3.74816 -0.67293 0.38852 0.00000 -1.04226
154 4S -4.73635 3.24379 -1.87280 0.00000 -1.78554
155 5S 0.28122 -0.40857 0.23589 0.00000 -0.38324
156 6PX 0.00947 -0.01800 0.01229 -0.01944 -0.01926
157 6PY -0.00547 0.01229 -0.00381 -0.03368 0.01112
158 6PZ -0.02146 0.00553 -0.00319 0.00000 0.00492
159 7PX -0.09326 0.09950 -0.06986 0.09477 0.09877
160 7PY 0.05385 -0.06986 0.01884 0.16415 -0.05703
161 7PZ 0.12388 -0.03330 0.01923 0.00000 -0.02496
162 8PX 0.88639 -0.20696 0.22566 -0.63965 -0.26805
163 8PY -0.51176 0.22566 0.05360 -1.10790 0.15476
164 8PZ -0.92055 0.05936 -0.03427 0.00000 -0.05571
165 9PX 0.80839 -0.24041 0.00627 -0.98144 1.23263
166 9PY -0.46673 0.00627 -0.23317 -1.69991 -0.71166
167 9PZ -1.66283 -0.01635 0.00944 0.00000 -0.60464
168 10D 0 -0.02493 0.00653 -0.00377 0.00000 0.00706
169 10D+1 -0.00282 0.01542 -0.00584 -0.00547 0.00252
170 10D-1 0.00163 -0.00584 0.00868 -0.00947 -0.00146
171 10D+2 0.01368 -0.00285 0.01467 0.03782 -0.00110
172 10D-2 -0.02370 0.01796 -0.00285 0.02183 0.00190
173 11D 0 0.14538 -0.02390 0.01380 0.00000 -0.03200
174 11D+1 0.01018 -0.06855 0.02282 0.03072 -0.00549
175 11D-1 -0.00588 0.02282 -0.04220 0.05321 0.00317
176 11D+2 -0.08296 0.00270 -0.07005 -0.21913 -0.00309
177 11D-2 0.14369 -0.07317 0.00270 -0.12652 0.00536
178 12D 0 -0.73296 0.11474 -0.06625 0.00000 0.15188
179 12D+1 0.68947 0.24778 -0.05157 -0.17278 0.27467
180 12D-1 -0.39807 -0.05157 0.18823 -0.29927 -0.15858
181 12D+2 0.19301 -0.05176 0.16497 1.28211 -0.07799
182 12D-2 -0.33430 0.22474 -0.05176 0.74023 0.13509
183 13F 0 0.00332 0.01960 -0.01132 0.00000 0.00657
184 13F+1 -0.00402 -0.00609 0.00471 0.00138 -0.01055
185 13F-1 0.00232 0.00471 -0.00065 0.00239 0.00609
186 13F+2 0.00280 -0.01076 -0.00055 0.01380 -0.00640
187 13F-2 -0.00485 0.01187 -0.01076 0.00797 0.01108
188 13F+3 0.00000 -0.00435 -0.00753 -0.00372 0.00000
189 13F-3 -0.01080 -0.02453 0.01417 0.00000 -0.00765
190 14F 0 0.01217 -0.12949 0.07476 0.00000 -0.04100
191 14F+1 0.03753 0.04070 -0.03185 -0.00474 0.06995
192 14F-1 -0.02167 -0.03185 0.00392 -0.00821 -0.04038
193 14F+2 -0.04139 0.07041 -0.00145 -0.09323 0.03919
194 14F-2 0.07170 -0.08275 0.07041 -0.05383 -0.06788
195 14F+3 0.00000 0.03178 0.05504 0.00950 0.00000
196 14F-3 0.05423 0.16523 -0.09540 0.00000 0.05266
197 15G 0 0.00331 0.00030 -0.00017 0.00000 -0.00088
198 15G+1 -0.00079 -0.00203 0.00075 0.00016 -0.00105
199 15G-1 0.00045 0.00075 -0.00116 0.00028 0.00061
200 15G+2 -0.00197 -0.00100 -0.00146 -0.00173 0.00088
201 15G-2 0.00341 -0.00031 -0.00100 -0.00100 -0.00152
202 15G+3 0.00000 0.00008 0.00013 -0.00142 0.00000
203 15G-3 -0.00017 -0.00134 0.00078 0.00000 -0.00008
204 15G+4 -0.00260 0.00160 0.00143 0.00275 -0.00124
205 15G-4 -0.00450 0.00041 -0.00160 -0.00159 -0.00215
206 4 H 1S -0.02103 -0.00721 -0.00416 0.00000 0.00265
207 2S 0.45194 -0.71921 -0.41524 0.00000 0.83476
208 3S -3.74816 0.67293 0.38852 0.00000 -1.04226
209 4S -4.73635 -3.24379 -1.87280 0.00000 -1.78554
210 5S 0.28122 0.40857 0.23589 0.00000 -0.38324
211 6PX -0.00947 -0.01800 -0.01229 -0.01944 0.01926
212 6PY -0.00547 -0.01229 -0.00381 0.03368 0.01112
213 6PZ -0.02146 -0.00553 -0.00319 0.00000 0.00492
214 7PX 0.09326 0.09950 0.06986 0.09477 -0.09877
215 7PY 0.05385 0.06986 0.01884 -0.16415 -0.05703
216 7PZ 0.12388 0.03330 0.01923 0.00000 -0.02496
217 8PX -0.88639 -0.20696 -0.22566 -0.63965 0.26805
218 8PY -0.51176 -0.22566 0.05360 1.10790 0.15476
219 8PZ -0.92055 -0.05936 -0.03427 0.00000 -0.05571
220 9PX -0.80839 -0.24041 -0.00627 -0.98144 -1.23263
221 9PY -0.46673 -0.00627 -0.23317 1.69991 -0.71166
222 9PZ -1.66283 0.01635 0.00944 0.00000 -0.60464
223 10D 0 -0.02493 -0.00653 -0.00377 0.00000 0.00706
224 10D+1 0.00282 0.01542 0.00584 -0.00547 -0.00252
225 10D-1 0.00163 0.00584 0.00868 0.00947 -0.00146
226 10D+2 0.01368 0.00285 0.01467 -0.03782 -0.00110
227 10D-2 0.02370 0.01796 0.00285 0.02183 -0.00190
228 11D 0 0.14538 0.02390 0.01380 0.00000 -0.03200
229 11D+1 -0.01018 -0.06855 -0.02282 0.03072 0.00549
230 11D-1 -0.00588 -0.02282 -0.04220 -0.05321 0.00317
231 11D+2 -0.08296 -0.00270 -0.07005 0.21913 -0.00309
232 11D-2 -0.14369 -0.07317 -0.00270 -0.12652 -0.00536
233 12D 0 -0.73296 -0.11474 -0.06625 0.00000 0.15188
234 12D+1 -0.68947 0.24778 0.05157 -0.17278 -0.27467
235 12D-1 -0.39807 0.05157 0.18823 0.29927 -0.15858
236 12D+2 0.19301 0.05176 0.16497 -1.28211 -0.07799
237 12D-2 0.33430 0.22474 0.05176 0.74023 -0.13509
238 13F 0 0.00332 -0.01960 -0.01132 0.00000 0.00657
239 13F+1 0.00402 -0.00609 -0.00471 0.00138 0.01055
240 13F-1 0.00232 -0.00471 -0.00065 -0.00239 0.00609
241 13F+2 0.00280 0.01076 -0.00055 -0.01380 -0.00640
242 13F-2 0.00485 0.01187 0.01076 0.00797 -0.01108
243 13F+3 0.00000 -0.00435 0.00753 -0.00372 0.00000
244 13F-3 -0.01080 0.02453 0.01417 0.00000 -0.00765
245 14F 0 0.01217 0.12949 0.07476 0.00000 -0.04100
246 14F+1 -0.03753 0.04070 0.03185 -0.00474 -0.06995
247 14F-1 -0.02167 0.03185 0.00392 0.00821 -0.04038
248 14F+2 -0.04139 -0.07041 -0.00145 0.09323 0.03919
249 14F-2 -0.07170 -0.08275 -0.07041 -0.05383 0.06788
250 14F+3 0.00000 0.03178 -0.05504 0.00950 0.00000
251 14F-3 0.05423 -0.16523 -0.09540 0.00000 0.05266
252 15G 0 0.00331 -0.00030 -0.00017 0.00000 -0.00088
253 15G+1 0.00079 -0.00203 -0.00075 0.00016 0.00105
254 15G-1 0.00045 -0.00075 -0.00116 -0.00028 0.00061
255 15G+2 -0.00197 0.00100 -0.00146 0.00173 0.00088
256 15G-2 -0.00341 -0.00031 0.00100 -0.00100 0.00152
257 15G+3 0.00000 0.00008 -0.00013 -0.00142 0.00000
258 15G-3 -0.00017 0.00134 0.00078 0.00000 -0.00008
259 15G+4 -0.00260 -0.00160 0.00143 -0.00275 -0.00124
260 15G-4 0.00450 0.00041 0.00160 -0.00159 0.00215
101 102 103 104 105
(E)--V (E)--V (A2)--V (A1)--V (E)--V
Eigenvalues -- 3.33166 3.33166 3.35196 3.39117 3.44914
1 1 Si 1S 0.00000 0.00000 0.00000 0.01652 0.00000
2 2S 0.00000 0.00000 0.00000 -0.00062 0.00000
3 3S 0.00000 0.00000 0.00000 0.18184 0.00000
4 4S 0.00000 0.00000 0.00000 0.38237 0.00000
5 5S 0.00000 0.00000 0.00000 -1.75669 0.00000
6 6S 0.00000 0.00000 0.00000 4.39570 0.00000
7 7S 0.00000 0.00000 0.00000 -0.19037 0.00000
8 8PX 0.00000 0.01651 0.00000 0.00000 0.02220
9 8PY 0.01651 0.00000 0.00000 0.00000 0.00000
10 8PZ 0.00000 0.00000 0.00000 -0.03506 0.00000
11 9PX 0.00000 -0.01236 0.00000 0.00000 -0.18217
12 9PY -0.01236 0.00000 0.00000 0.00000 0.00000
13 9PZ 0.00000 0.00000 0.00000 0.13113 0.00000
14 10PX 0.00000 0.01255 0.00000 0.00000 -0.57764
15 10PY 0.01255 0.00000 0.00000 0.00000 0.00000
16 10PZ 0.00000 0.00000 0.00000 0.33927 0.00000
17 11PX 0.00000 -0.30608 0.00000 0.00000 0.54811
18 11PY -0.30608 0.00000 0.00000 0.00000 0.00000
19 11PZ 0.00000 0.00000 0.00000 -0.12369 0.00000
20 12PX 0.00000 -0.39569 0.00000 0.00000 -1.78242
21 12PY -0.39569 0.00000 0.00000 0.00000 0.00000
22 12PZ 0.00000 0.00000 0.00000 -0.75823 0.00000
23 13PX 0.00000 -0.09276 0.00000 0.00000 -0.06593
24 13PY -0.09276 0.00000 0.00000 0.00000 0.00000
25 13PZ 0.00000 0.00000 0.00000 0.02455 0.00000
26 14D 0 0.00000 0.00000 0.00000 -0.26659 0.00000
27 14D+1 0.00000 0.23349 0.00000 0.00000 0.38144
28 14D-1 0.23349 0.00000 0.00000 0.00000 0.00000
29 14D+2 0.25332 0.00000 0.00000 0.00000 0.00000
30 14D-2 0.00000 0.25332 0.00000 0.00000 0.68991
31 15D 0 0.00000 0.00000 0.00000 -0.84631 0.00000
32 15D+1 0.00000 -0.41022 0.00000 0.00000 -0.29737
33 15D-1 -0.41022 0.00000 0.00000 0.00000 0.00000
34 15D+2 -0.02912 0.00000 0.00000 0.00000 0.00000
35 15D-2 0.00000 -0.02912 0.00000 0.00000 -0.58503
36 16D 0 0.00000 0.00000 0.00000 0.12781 0.00000
37 16D+1 0.00000 0.01528 0.00000 0.00000 0.08301
38 16D-1 0.01528 0.00000 0.00000 0.00000 0.00000
39 16D+2 0.04709 0.00000 0.00000 0.00000 0.00000
40 16D-2 0.00000 0.04709 0.00000 0.00000 0.07281
41 17D 0 0.00000 0.00000 0.00000 -0.01371 0.00000
42 17D+1 0.00000 -0.02520 0.00000 0.00000 0.00515
43 17D-1 -0.02520 0.00000 0.00000 0.00000 0.00000
44 17D+2 0.00150 0.00000 0.00000 0.00000 0.00000
45 17D-2 0.00000 0.00150 0.00000 0.00000 -0.00776
46 18F 0 0.00000 0.00000 0.00000 0.78094 0.00000
47 18F+1 0.00000 -0.63534 0.00000 0.00000 0.46486
48 18F-1 -0.63534 0.00000 0.00000 0.00000 0.00000
49 18F+2 -0.53880 0.00000 0.00000 0.00000 0.00000
50 18F-2 0.00000 -0.53880 0.00000 0.00000 -0.54959
51 18F+3 0.00000 0.00000 0.48595 0.00000 0.00000
52 18F-3 0.00000 0.00000 0.00000 0.00209 0.00000
53 19F 0 0.00000 0.00000 0.00000 -1.45982 0.00000
54 19F+1 0.00000 1.80429 0.00000 0.00000 -0.60601
55 19F-1 1.80429 0.00000 0.00000 0.00000 0.00000
56 19F+2 1.32721 0.00000 0.00000 0.00000 0.00000
57 19F-2 0.00000 1.32721 0.00000 0.00000 1.35008
58 19F+3 0.00000 0.00000 4.90320 0.00000 0.00000
59 19F-3 0.00000 0.00000 0.00000 -1.48585 0.00000
60 20F 0 0.00000 0.00000 0.00000 1.42591 0.00000
61 20F+1 0.00000 -1.28153 0.00000 0.00000 0.54926
62 20F-1 -1.28153 0.00000 0.00000 0.00000 0.00000
63 20F+2 -0.79870 0.00000 0.00000 0.00000 0.00000
64 20F-2 0.00000 -0.79870 0.00000 0.00000 -0.78879
65 20F+3 0.00000 0.00000 -1.35589 0.00000 0.00000
66 20F-3 0.00000 0.00000 0.00000 0.74501 0.00000
67 21G 0 0.00000 0.00000 0.00000 0.16529 0.00000
68 21G+1 0.00000 0.05632 0.00000 0.00000 0.01523
69 21G-1 0.05632 0.00000 0.00000 0.00000 0.00000
70 21G+2 -0.21062 0.00000 0.00000 0.00000 0.00000
71 21G-2 0.00000 -0.21062 0.00000 0.00000 0.06271
72 21G+3 0.00000 0.00000 -1.91992 0.00000 0.00000
73 21G-3 0.00000 0.00000 0.00000 0.14958 0.00000
74 21G+4 -0.09375 0.00000 0.00000 0.00000 0.00000
75 21G-4 0.00000 0.09375 0.00000 0.00000 0.08731
76 22G 0 0.00000 0.00000 0.00000 0.04806 0.00000
77 22G+1 0.00000 -0.03674 0.00000 0.00000 -0.10498
78 22G-1 -0.03674 0.00000 0.00000 0.00000 0.00000
79 22G+2 -0.03253 0.00000 0.00000 0.00000 0.00000
80 22G-2 0.00000 -0.03253 0.00000 0.00000 -0.04624
81 22G+3 0.00000 0.00000 0.13377 0.00000 0.00000
82 22G-3 0.00000 0.00000 0.00000 -0.04626 0.00000
83 22G+4 -0.03817 0.00000 0.00000 0.00000 0.00000
84 22G-4 0.00000 0.03817 0.00000 0.00000 -0.12925
85 23H 0 0.00000 0.00000 0.00000 -0.04318 0.00000
86 23H+1 0.00000 -0.15205 0.00000 0.00000 -0.17146
87 23H-1 -0.15205 0.00000 0.00000 0.00000 0.00000
88 23H+2 -0.00637 0.00000 0.00000 0.00000 0.00000
89 23H-2 0.00000 -0.00637 0.00000 0.00000 0.29303
90 23H+3 0.00000 0.00000 -0.14671 0.00000 0.00000
91 23H-3 0.00000 0.00000 0.00000 0.27835 0.00000
92 23H+4 -0.01227 0.00000 0.00000 0.00000 0.00000
93 23H-4 0.00000 0.01227 0.00000 0.00000 -0.03631
94 23H+5 0.00000 0.02266 0.00000 0.00000 -0.40231
95 23H-5 -0.02266 0.00000 0.00000 0.00000 0.00000
96 2 H 1S 0.00018 0.00000 0.00000 -0.00347 0.00000
97 2S -0.09254 0.00000 0.00000 -0.02863 0.00000
98 3S 0.02974 0.00000 0.00000 -0.51746 0.00000
99 4S 0.53378 0.00000 0.00000 -1.19902 0.00000
100 5S 0.11195 0.00000 0.00000 0.13125 0.00000
101 6PX 0.00000 0.00132 0.03126 0.00000 0.00446
102 6PY 0.00300 0.00000 0.00000 0.00431 0.00000
103 6PZ 0.00494 0.00000 0.00000 -0.00559 0.00000
104 7PX 0.00000 -0.00925 -0.16351 0.00000 -0.03316
105 7PY -0.01873 0.00000 0.00000 -0.02753 0.00000
106 7PZ -0.03832 0.00000 0.00000 0.04298 0.00000
107 8PX 0.00000 0.19417 1.55788 0.00000 0.31955
108 8PY 0.23168 0.00000 0.00000 0.14195 0.00000
109 8PZ 0.56018 0.00000 0.00000 -0.38788 0.00000
110 9PX 0.00000 -0.07357 1.53873 0.00000 0.01948
111 9PY -0.23626 0.00000 0.00000 0.34080 0.00000
112 9PZ -0.02753 0.00000 0.00000 -0.08276 0.00000
113 10D 0 -0.02136 0.00000 0.00000 0.01208 0.00000
114 10D+1 0.00000 -0.00459 0.00035 0.00000 -0.00626
115 10D-1 0.03025 0.00000 0.00000 -0.02076 0.00000
116 10D+2 -0.01196 0.00000 0.00000 0.00382 0.00000
117 10D-2 0.00000 0.01158 0.00587 0.00000 0.01602
118 11D 0 0.10811 0.00000 0.00000 -0.05752 0.00000
119 11D+1 0.00000 0.02343 -0.00725 0.00000 0.02835
120 11D-1 -0.14949 0.00000 0.00000 0.10574 0.00000
121 11D+2 0.06302 0.00000 0.00000 -0.01710 0.00000
122 11D-2 0.00000 -0.05723 -0.00137 0.00000 -0.08307
123 12D 0 0.07403 0.00000 0.00000 -0.11343 0.00000
124 12D+1 0.00000 -0.01481 0.36321 0.00000 0.07994
125 12D-1 -0.24098 0.00000 0.00000 0.06729 0.00000
126 12D+2 0.01289 0.00000 0.00000 0.01867 0.00000
127 12D-2 0.00000 -0.08581 -1.37390 0.00000 -0.11483
128 13F 0 0.01353 0.00000 0.00000 -0.00371 0.00000
129 13F+1 0.00000 0.00011 0.00028 0.00000 0.04029
130 13F-1 0.03197 0.00000 0.00000 -0.01962 0.00000
131 13F+2 0.01887 0.00000 0.00000 -0.01284 0.00000
132 13F-2 0.00000 0.00750 0.00064 0.00000 0.02160
133 13F+3 0.00000 0.01346 0.04120 0.00000 0.00109
134 13F-3 0.01186 0.00000 0.00000 -0.00423 0.00000
135 14F 0 -0.11769 0.00000 0.00000 0.03720 0.00000
136 14F+1 0.00000 -0.00286 -0.01177 0.00000 -0.27893
137 14F-1 -0.26044 0.00000 0.00000 0.18113 0.00000
138 14F+2 -0.16876 0.00000 0.00000 0.11863 0.00000
139 14F-2 0.00000 -0.05938 -0.03713 0.00000 -0.16550
140 14F+3 0.00000 -0.10513 -0.33342 0.00000 -0.05166
141 14F-3 -0.10071 0.00000 0.00000 0.02680 0.00000
142 15G 0 0.00069 0.00000 0.00000 0.00151 0.00000
143 15G+1 0.00000 -0.00012 0.00036 0.00000 0.00074
144 15G-1 0.00195 0.00000 0.00000 0.00200 0.00000
145 15G+2 0.00142 0.00000 0.00000 0.00213 0.00000
146 15G-2 0.00000 0.00028 -0.00069 0.00000 -0.00084
147 15G+3 0.00000 0.00022 -0.00112 0.00000 -0.00073
148 15G-3 -0.00007 0.00000 0.00000 -0.00025 0.00000
149 15G+4 0.00043 0.00000 0.00000 -0.00156 0.00000
150 15G-4 0.00000 -0.00106 -0.00138 0.00000 0.00067
151 3 H 1S -0.00009 0.00016 0.00000 -0.00347 -0.00057
152 2S 0.04627 -0.08014 0.00000 -0.02863 0.29289
153 3S -0.01487 0.02576 0.00000 -0.51746 -1.24785
154 4S -0.26689 0.46227 0.00000 -1.19902 2.28723
155 5S -0.05597 0.09695 0.00000 0.13125 -0.16979
156 6PX -0.00073 0.00258 -0.01563 0.00373 -0.00305
157 6PY 0.00174 -0.00073 -0.02707 -0.00216 0.00434
158 6PZ -0.00247 0.00427 0.00000 -0.00559 0.00223
159 7PX 0.00410 -0.01636 0.08176 -0.02384 0.00628
160 7PY -0.01162 0.00410 0.14161 0.01376 -0.02277
161 7PZ 0.01916 -0.03319 0.00000 0.04298 -0.00892
162 8PX -0.01624 0.22230 -0.77894 0.12293 0.34625
163 8PY 0.20355 -0.01624 -1.34916 -0.07097 -0.01541
164 8PZ -0.28009 0.48513 0.00000 -0.38788 -0.04636
165 9PX 0.07045 -0.19559 -0.76937 0.29515 -0.41523
166 9PY -0.11424 0.07045 -1.33258 -0.17040 0.25098
167 9PZ 0.01377 -0.02384 0.00000 -0.08276 0.30399
168 10D 0 0.01068 -0.01850 0.00000 0.01208 -0.01931
169 10D+1 -0.01509 0.02154 -0.00018 -0.01797 -0.01285
170 10D-1 0.00412 -0.01509 -0.00031 0.01038 0.00381
171 10D+2 0.00570 0.01019 -0.00508 -0.00191 0.00858
172 10D-2 0.01019 -0.00608 -0.00293 0.00331 0.00117
173 11D 0 -0.05405 0.09363 0.00000 -0.05752 0.10829
174 11D+1 0.07487 -0.10626 0.00362 0.09157 0.07577
175 11D-1 -0.01980 0.07487 0.00628 -0.05287 -0.02738
176 11D+2 -0.02717 -0.05207 0.00119 0.00855 -0.05073
177 11D-2 -0.05207 0.03296 0.00069 -0.01481 0.00480
178 12D 0 -0.03701 0.06411 0.00000 -0.11343 -0.13614
179 12D+1 0.09794 -0.18444 -0.18161 0.05828 -0.16231
180 12D-1 -0.07135 0.09794 -0.31455 -0.03365 0.13986
181 12D+2 -0.06114 -0.04274 1.18983 -0.00934 -0.04484
182 12D-2 -0.04274 -0.01178 0.68695 0.01617 -0.03716
183 13F 0 -0.00676 0.01172 0.00000 -0.00371 -0.02732
184 13F+1 -0.01379 0.02401 -0.00014 -0.01700 0.02198
185 13F-1 0.00808 -0.01379 -0.00024 0.00981 0.01057
186 13F+2 0.01034 -0.00493 -0.00055 0.00642 0.00782
187 13F-2 -0.00493 0.01603 -0.00032 -0.01112 0.00805
188 13F+3 -0.01165 -0.00673 0.04120 0.00000 -0.00055
189 13F-3 -0.00593 0.01027 0.00000 -0.00423 -0.00836
190 14F 0 0.05885 -0.10192 0.00000 0.03720 0.18967
191 14F+1 0.11154 -0.19605 0.00588 0.15687 -0.15690
192 14F-1 -0.06725 0.11154 0.01019 -0.09057 -0.07045
193 14F+2 -0.08672 0.04736 0.03216 -0.05932 -0.06428
194 14F-2 0.04736 -0.14142 0.01857 0.10274 -0.05416
195 14F+3 0.09104 0.05256 -0.33342 0.00000 0.02583
196 14F-3 0.05035 -0.08722 0.00000 0.02680 0.04459
197 15G 0 -0.00034 0.00060 0.00000 0.00151 0.00098
198 15G+1 -0.00090 0.00143 -0.00018 0.00173 0.00477
199 15G-1 0.00040 -0.00090 -0.00031 -0.00100 -0.00233
200 15G+2 0.00056 -0.00049 0.00060 -0.00107 -0.00111
201 15G-2 -0.00049 0.00113 0.00034 0.00185 0.00108
202 15G+3 -0.00019 -0.00011 -0.00112 0.00000 0.00037
203 15G-3 0.00004 -0.00006 0.00000 -0.00025 0.00047
204 15G+4 0.00090 0.00027 -0.00119 0.00078 0.00099
205 15G-4 -0.00027 -0.00058 0.00069 0.00135 0.00239
206 4 H 1S -0.00009 -0.00016 0.00000 -0.00347 0.00057
207 2S 0.04627 0.08014 0.00000 -0.02863 -0.29289
208 3S -0.01487 -0.02576 0.00000 -0.51746 1.24785
209 4S -0.26689 -0.46227 0.00000 -1.19902 -2.28723
210 5S -0.05597 -0.09695 0.00000 0.13125 0.16979
211 6PX 0.00073 0.00258 -0.01563 -0.00373 -0.00305
212 6PY 0.00174 0.00073 0.02707 -0.00216 -0.00434
213 6PZ -0.00247 -0.00427 0.00000 -0.00559 -0.00223
214 7PX -0.00410 -0.01636 0.08176 0.02384 0.00628
215 7PY -0.01162 -0.00410 -0.14161 0.01376 0.02277
216 7PZ 0.01916 0.03319 0.00000 0.04298 0.00892
217 8PX 0.01624 0.22230 -0.77894 -0.12293 0.34625
218 8PY 0.20355 0.01624 1.34916 -0.07097 0.01541
219 8PZ -0.28009 -0.48513 0.00000 -0.38788 0.04636
220 9PX -0.07045 -0.19559 -0.76937 -0.29515 -0.41523
221 9PY -0.11424 -0.07045 1.33258 -0.17040 -0.25098
222 9PZ 0.01377 0.02384 0.00000 -0.08276 -0.30399
223 10D 0 0.01068 0.01850 0.00000 0.01208 0.01931
224 10D+1 0.01509 0.02154 -0.00018 0.01797 -0.01285
225 10D-1 0.00412 0.01509 0.00031 0.01038 -0.00381
226 10D+2 0.00570 -0.01019 0.00508 -0.00191 -0.00858
227 10D-2 -0.01019 -0.00608 -0.00293 -0.00331 0.00117
228 11D 0 -0.05405 -0.09363 0.00000 -0.05752 -0.10829
229 11D+1 -0.07487 -0.10626 0.00362 -0.09157 0.07577
230 11D-1 -0.01980 -0.07487 -0.00628 -0.05287 0.02738
231 11D+2 -0.02717 0.05207 -0.00119 0.00855 0.05073
232 11D-2 0.05207 0.03296 0.00069 0.01481 0.00480
233 12D 0 -0.03701 -0.06411 0.00000 -0.11343 0.13614
234 12D+1 -0.09794 -0.18444 -0.18161 -0.05828 -0.16231
235 12D-1 -0.07135 -0.09794 0.31455 -0.03365 -0.13986
236 12D+2 -0.06114 0.04274 -1.18983 -0.00934 0.04484
237 12D-2 0.04274 -0.01178 0.68695 -0.01617 -0.03716
238 13F 0 -0.00676 -0.01172 0.00000 -0.00371 0.02732
239 13F+1 0.01379 0.02401 -0.00014 0.01700 0.02198
240 13F-1 0.00808 0.01379 0.00024 0.00981 -0.01057
241 13F+2 0.01034 0.00493 0.00055 0.00642 -0.00782
242 13F-2 0.00493 0.01603 -0.00032 0.01112 0.00805
243 13F+3 0.01165 -0.00673 0.04120 0.00000 -0.00055
244 13F-3 -0.00593 -0.01027 0.00000 -0.00423 0.00836
245 14F 0 0.05885 0.10192 0.00000 0.03720 -0.18967
246 14F+1 -0.11154 -0.19605 0.00588 -0.15687 -0.15690
247 14F-1 -0.06725 -0.11154 -0.01019 -0.09057 0.07045
248 14F+2 -0.08672 -0.04736 -0.03216 -0.05932 0.06428
249 14F-2 -0.04736 -0.14142 0.01857 -0.10274 -0.05416
250 14F+3 -0.09104 0.05256 -0.33342 0.00000 0.02583
251 14F-3 0.05035 0.08722 0.00000 0.02680 -0.04459
252 15G 0 -0.00034 -0.00060 0.00000 0.00151 -0.00098
253 15G+1 0.00090 0.00143 -0.00018 -0.00173 0.00477
254 15G-1 0.00040 0.00090 0.00031 -0.00100 0.00233
255 15G+2 0.00056 0.00049 -0.00060 -0.00107 0.00111
256 15G-2 0.00049 0.00113 0.00034 -0.00185 0.00108
257 15G+3 0.00019 -0.00011 -0.00112 0.00000 0.00037
258 15G-3 0.00004 0.00006 0.00000 -0.00025 -0.00047
259 15G+4 0.00090 -0.00027 0.00119 0.00078 -0.00099
260 15G-4 0.00027 -0.00058 0.00069 -0.00135 0.00239
106 107 108 109 110
(E)--V (A1)--V (E)--V (E)--V (A2)--V
Eigenvalues -- 3.44914 3.48113 3.58425 3.58425 3.61279
1 1 Si 1S 0.00000 0.07241 0.00000 0.00000 0.00000
2 2S 0.00000 -0.02703 0.00000 0.00000 0.00000
3 3S 0.00000 0.73169 0.00000 0.00000 0.00000
4 4S 0.00000 1.20524 0.00000 0.00000 0.00000
5 5S 0.00000 -6.91106 0.00000 0.00000 0.00000
6 6S 0.00000 21.97623 0.00000 0.00000 0.00000
7 7S 0.00000 0.24262 0.00000 0.00000 0.00000
8 8PX 0.00000 0.00000 0.02960 0.00000 0.00000
9 8PY 0.02220 0.00000 0.00000 0.02960 0.00000
10 8PZ 0.00000 -0.08269 0.00000 0.00000 0.00000
11 9PX 0.00000 0.00000 -0.26779 0.00000 0.00000
12 9PY -0.18217 0.00000 0.00000 -0.26779 0.00000
13 9PZ 0.00000 0.75946 0.00000 0.00000 0.00000
14 10PX 0.00000 0.00000 -0.90636 0.00000 0.00000
15 10PY -0.57764 0.00000 0.00000 -0.90636 0.00000
16 10PZ 0.00000 2.38075 0.00000 0.00000 0.00000
17 11PX 0.00000 0.00000 0.81198 0.00000 0.00000
18 11PY 0.54811 0.00000 0.00000 0.81198 0.00000
19 11PZ 0.00000 -3.14453 0.00000 0.00000 0.00000
20 12PX 0.00000 0.00000 -2.61727 0.00000 0.00000
21 12PY -1.78242 0.00000 0.00000 -2.61727 0.00000
22 12PZ 0.00000 -3.70219 0.00000 0.00000 0.00000
23 13PX 0.00000 0.00000 -0.21566 0.00000 0.00000
24 13PY -0.06593 0.00000 0.00000 -0.21566 0.00000
25 13PZ 0.00000 -0.00298 0.00000 0.00000 0.00000
26 14D 0 0.00000 -1.65139 0.00000 0.00000 0.00000
27 14D+1 0.00000 0.00000 0.75982 0.00000 0.00000
28 14D-1 0.38144 0.00000 0.00000 0.75982 0.00000
29 14D+2 0.68991 0.00000 0.00000 1.19512 0.00000
30 14D-2 0.00000 0.00000 1.19512 0.00000 0.00000
31 15D 0 0.00000 -2.98573 0.00000 0.00000 0.00000
32 15D+1 0.00000 0.00000 -0.25446 0.00000 0.00000
33 15D-1 -0.29737 0.00000 0.00000 -0.25446 0.00000
34 15D+2 -0.58503 0.00000 0.00000 -1.00169 0.00000
35 15D-2 0.00000 0.00000 -1.00169 0.00000 0.00000
36 16D 0 0.00000 0.61968 0.00000 0.00000 0.00000
37 16D+1 0.00000 0.00000 0.08678 0.00000 0.00000
38 16D-1 0.08301 0.00000 0.00000 0.08678 0.00000
39 16D+2 0.07281 0.00000 0.00000 0.16493 0.00000
40 16D-2 0.00000 0.00000 0.16493 0.00000 0.00000
41 17D 0 0.00000 0.03811 0.00000 0.00000 0.00000
42 17D+1 0.00000 0.00000 0.01859 0.00000 0.00000
43 17D-1 0.00515 0.00000 0.00000 0.01859 0.00000
44 17D+2 -0.00776 0.00000 0.00000 -0.01091 0.00000
45 17D-2 0.00000 0.00000 -0.01091 0.00000 0.00000
46 18F 0 0.00000 0.61056 0.00000 0.00000 0.00000
47 18F+1 0.00000 0.00000 0.23701 0.00000 0.00000
48 18F-1 0.46486 0.00000 0.00000 0.23701 0.00000
49 18F+2 -0.54959 0.00000 0.00000 -0.77577 0.00000
50 18F-2 0.00000 0.00000 -0.77577 0.00000 0.00000
51 18F+3 0.00000 0.00000 0.00000 0.00000 -0.09224
52 18F-3 0.00000 -1.41996 0.00000 0.00000 0.00000
53 19F 0 0.00000 1.65079 0.00000 0.00000 0.00000
54 19F+1 0.00000 0.00000 -1.02839 0.00000 0.00000
55 19F-1 -0.60601 0.00000 0.00000 -1.02839 0.00000
56 19F+2 1.35008 0.00000 0.00000 1.79692 0.00000
57 19F-2 0.00000 0.00000 1.79692 0.00000 0.00000
58 19F+3 0.00000 0.00000 0.00000 0.00000 2.10399
59 19F-3 0.00000 -2.32593 0.00000 0.00000 0.00000
60 20F 0 0.00000 -0.54175 0.00000 0.00000 0.00000
61 20F+1 0.00000 0.00000 0.70075 0.00000 0.00000
62 20F-1 0.54926 0.00000 0.00000 0.70075 0.00000
63 20F+2 -0.78879 0.00000 0.00000 -1.02241 0.00000
64 20F-2 0.00000 0.00000 -1.02241 0.00000 0.00000
65 20F+3 0.00000 0.00000 0.00000 0.00000 -0.43346
66 20F-3 0.00000 0.21354 0.00000 0.00000 0.00000
67 21G 0 0.00000 0.17163 0.00000 0.00000 0.00000
68 21G+1 0.00000 0.00000 0.31285 0.00000 0.00000
69 21G-1 0.01523 0.00000 0.00000 0.31285 0.00000
70 21G+2 0.06271 0.00000 0.00000 0.01261 0.00000
71 21G-2 0.00000 0.00000 0.01261 0.00000 0.00000
72 21G+3 0.00000 0.00000 0.00000 0.00000 -0.94521
73 21G-3 0.00000 0.81050 0.00000 0.00000 0.00000
74 21G+4 -0.08731 0.00000 0.00000 0.11109 0.00000
75 21G-4 0.00000 0.00000 -0.11109 0.00000 0.00000
76 22G 0 0.00000 0.14159 0.00000 0.00000 0.00000
77 22G+1 0.00000 0.00000 0.11518 0.00000 0.00000
78 22G-1 -0.10498 0.00000 0.00000 0.11518 0.00000
79 22G+2 -0.04624 0.00000 0.00000 0.01155 0.00000
80 22G-2 0.00000 0.00000 0.01155 0.00000 0.00000
81 22G+3 0.00000 0.00000 0.00000 0.00000 -0.09473
82 22G-3 0.00000 0.19540 0.00000 0.00000 0.00000
83 22G+4 0.12925 0.00000 0.00000 0.01246 0.00000
84 22G-4 0.00000 0.00000 -0.01246 0.00000 0.00000
85 23H 0 0.00000 -0.04098 0.00000 0.00000 0.00000
86 23H+1 0.00000 0.00000 0.10921 0.00000 0.00000
87 23H-1 -0.17146 0.00000 0.00000 0.10921 0.00000
88 23H+2 0.29303 0.00000 0.00000 -0.41898 0.00000
89 23H-2 0.00000 0.00000 -0.41898 0.00000 0.00000
90 23H+3 0.00000 0.00000 0.00000 0.00000 0.49362
91 23H-3 0.00000 0.53417 0.00000 0.00000 0.00000
92 23H+4 0.03631 0.00000 0.00000 0.16866 0.00000
93 23H-4 0.00000 0.00000 -0.16866 0.00000 0.00000
94 23H+5 0.00000 0.00000 0.04096 0.00000 0.00000
95 23H-5 0.40231 0.00000 0.00000 -0.04096 0.00000
96 2 H 1S -0.00065 -0.01438 0.00000 -0.00325 0.00000
97 2S 0.33821 0.59866 0.00000 0.29098 0.00000
98 3S -1.44089 -3.20982 0.00000 -2.35001 0.00000
99 4S 2.64107 -6.05022 0.00000 4.38326 0.00000
100 5S -0.19606 0.11330 0.00000 -0.08761 0.00000
101 6PX 0.00000 0.00000 0.00248 0.00000 0.01350
102 6PY -0.00556 0.00554 0.00000 -0.00146 0.00000
103 6PZ 0.00257 -0.01156 0.00000 0.00115 0.00000
104 7PX 0.00000 0.00000 -0.01777 0.00000 -0.06554
105 7PY 0.01942 -0.06336 0.00000 -0.01383 0.00000
106 7PZ -0.01031 0.08647 0.00000 0.00703 0.00000
107 8PX 0.00000 0.00000 0.32370 0.00000 0.76827
108 8PY 0.35515 0.82643 0.00000 0.77775 0.00000
109 8PZ -0.05353 -0.51000 0.00000 -0.20277 0.00000
110 9PX 0.00000 0.00000 -0.09925 0.00000 0.46681
111 9PY -0.56013 2.41589 0.00000 -1.41502 0.00000
112 9PZ 0.35102 -0.72202 0.00000 0.25904 0.00000
113 10D 0 -0.02229 -0.00377 0.00000 0.00346 0.00000
114 10D+1 0.00000 0.00000 -0.01071 0.00000 -0.01601
115 10D-1 -0.01505 -0.01670 0.00000 -0.01939 0.00000
116 10D+2 -0.00379 -0.01530 0.00000 -0.03059 0.00000
117 10D-2 0.00000 0.00000 0.00858 0.00000 -0.01712
118 11D 0 0.12505 0.02484 0.00000 -0.01157 0.00000
119 11D+1 0.00000 0.00000 0.06126 0.00000 0.08615
120 11D-1 0.09158 0.09259 0.00000 0.11191 0.00000
121 11D+2 0.03408 0.09173 0.00000 0.18784 0.00000
122 11D-2 0.00000 0.00000 -0.04314 0.00000 0.10471
123 12D 0 -0.15720 0.08575 0.00000 0.07217 0.00000
124 12D+1 0.00000 0.00000 -0.15179 0.00000 -0.07157
125 12D-1 -0.24306 0.11413 0.00000 -0.08100 0.00000
126 12D+2 -0.01127 0.23365 0.00000 -0.41668 0.00000
127 12D-2 0.00000 0.00000 -0.24193 0.00000 -0.72172
128 13F 0 -0.03154 -0.01278 0.00000 0.00623 0.00000
129 13F+1 0.00000 0.00000 -0.03890 0.00000 0.03222
130 13F-1 0.01588 -0.01008 0.00000 -0.00692 0.00000
131 13F+2 0.00354 0.00382 0.00000 -0.01134 0.00000
132 13F-2 0.00000 0.00000 0.00091 0.00000 0.04537
133 13F+3 0.00000 0.00000 0.02291 0.00000 -0.01938
134 13F-3 -0.00966 -0.00175 0.00000 0.02607 0.00000
135 14F 0 0.21901 0.12232 0.00000 -0.01233 0.00000
136 14F+1 0.00000 0.00000 0.25565 0.00000 -0.22609
137 14F-1 -0.11622 0.08960 0.00000 0.04185 0.00000
138 14F+2 -0.01704 0.03039 0.00000 0.11283 0.00000
139 14F-2 0.00000 0.00000 -0.01102 0.00000 -0.32034
140 14F+3 0.00000 0.00000 -0.20480 0.00000 0.11357
141 14F-3 0.05149 -0.00171 0.00000 -0.20083 0.00000
142 15G 0 0.00113 0.00001 0.00000 -0.00003 0.00000
143 15G+1 0.00000 0.00000 0.00070 0.00000 0.00044
144 15G-1 0.00611 -0.00104 0.00000 -0.00525 0.00000
145 15G+2 0.00172 0.00211 0.00000 -0.00052 0.00000
146 15G-2 0.00000 0.00000 0.00521 0.00000 0.00560
147 15G+3 0.00000 0.00000 0.00392 0.00000 0.00362
148 15G-3 0.00054 -0.00045 0.00000 0.00008 0.00000
149 15G+4 -0.00296 0.00264 0.00000 0.00632 0.00000
150 15G-4 0.00000 0.00000 0.00318 0.00000 0.00382
151 3 H 1S 0.00033 -0.01438 -0.00281 0.00162 0.00000
152 2S -0.16910 0.59866 0.25200 -0.14549 0.00000
153 3S 0.72044 -3.20982 -2.03517 1.17501 0.00000
154 4S -1.32053 -6.05022 3.79601 -2.19163 0.00000
155 5S 0.09803 0.11330 -0.07587 0.04381 0.00000
156 6PX 0.00434 0.00480 -0.00047 0.00170 -0.00675
157 6PY 0.00196 -0.00277 0.00170 0.00149 -0.01169
158 6PZ -0.00129 -0.01156 0.00099 -0.00057 0.00000
159 7PX -0.02277 -0.05487 -0.01482 -0.00171 0.03277
160 7PY -0.02001 0.03168 -0.00171 -0.01679 0.05676
161 7PZ 0.00515 0.08647 0.00609 -0.00351 0.00000
162 8PX -0.01541 0.71571 0.66424 -0.19661 -0.38414
163 8PY 0.32845 -0.41321 -0.19661 0.43721 -0.66535
164 8PZ 0.02677 -0.51000 -0.17560 0.10138 0.00000
165 9PX 0.25098 2.09223 -1.08608 0.56975 -0.23341
166 9PY -0.12542 -1.20795 0.56975 -0.42819 -0.40427
167 9PZ -0.17551 -0.72202 0.22434 -0.12952 0.00000
168 10D 0 0.01115 -0.00377 0.00300 -0.00173 0.00000
169 10D+1 0.00381 -0.01447 -0.01722 0.00376 0.00800
170 10D-1 -0.00846 0.00835 0.00376 -0.01288 0.01386
171 10D+2 0.01107 0.00765 0.01696 -0.00121 0.01483
172 10D-2 0.00858 -0.01325 -0.02080 0.01696 0.00856
173 11D 0 -0.06252 0.02484 -0.01002 0.00579 0.00000
174 11D+1 -0.02738 0.08019 0.09924 -0.02193 -0.04308
175 11D-1 0.04416 -0.04630 -0.02193 0.07392 -0.07461
176 11D+2 -0.05378 -0.04587 -0.10001 0.01461 -0.09068
177 11D-2 -0.05073 0.07944 0.13009 -0.10001 -0.05235
178 12D 0 0.07860 0.08575 0.06250 -0.03608 0.00000
179 12D+1 0.13986 0.09884 -0.09870 -0.03065 0.03579
180 12D-1 -0.00081 -0.05706 -0.03065 -0.13409 0.06198
181 12D+2 -0.08894 -0.11682 0.07567 -0.28561 0.62503
182 12D-2 -0.04484 0.20234 -0.37299 0.07567 0.36086
183 13F 0 0.01577 -0.01278 0.00540 -0.00312 0.00000
184 13F+1 0.01057 -0.00873 -0.01492 -0.01385 -0.01611
185 13F-1 0.03419 0.00504 -0.01385 -0.03091 -0.02791
186 13F+2 0.01708 -0.00191 0.00531 -0.00215 -0.03929
187 13F-2 0.00782 0.00331 -0.00828 0.00531 -0.02268
188 13F+3 -0.00094 0.00000 -0.01146 -0.01984 -0.01938
189 13F-3 0.00483 -0.00175 0.02258 -0.01303 0.00000
190 14F 0 -0.10951 0.12232 -0.01068 0.00616 0.00000
191 14F+1 -0.07045 0.07759 0.09530 0.09258 0.11305
192 14F-1 -0.23825 -0.04480 0.09258 0.20220 0.19580
193 14F+2 -0.12838 -0.01520 -0.05363 0.01994 0.27742
194 14F-2 -0.06428 0.02632 0.08186 -0.05363 0.16017
195 14F+3 0.04474 0.00000 0.10240 0.17736 0.11357
196 14F-3 -0.02574 -0.00171 -0.17392 0.10041 0.00000
197 15G 0 -0.00056 0.00001 -0.00003 0.00002 0.00000
198 15G+1 -0.00233 -0.00090 -0.00376 0.00258 -0.00022
199 15G-1 0.00208 0.00052 0.00258 -0.00078 -0.00038
200 15G+2 -0.00020 -0.00105 0.00248 0.00378 -0.00485
201 15G-2 -0.00111 0.00183 0.00091 0.00248 -0.00280
202 15G+3 0.00064 0.00000 -0.00196 -0.00340 0.00362
203 15G-3 -0.00027 -0.00045 0.00007 -0.00004 0.00000
204 15G+4 -0.00124 -0.00132 -0.00411 -0.00081 0.00331
205 15G-4 -0.00099 -0.00228 -0.00394 0.00411 -0.00191
206 4 H 1S 0.00033 -0.01438 0.00281 0.00162 0.00000
207 2S -0.16910 0.59866 -0.25200 -0.14549 0.00000
208 3S 0.72044 -3.20982 2.03517 1.17501 0.00000
209 4S -1.32053 -6.05022 -3.79601 -2.19163 0.00000
210 5S 0.09803 0.11330 0.07587 0.04381 0.00000
211 6PX -0.00434 -0.00480 -0.00047 -0.00170 -0.00675
212 6PY 0.00196 -0.00277 -0.00170 0.00149 0.01169
213 6PZ -0.00129 -0.01156 -0.00099 -0.00057 0.00000
214 7PX 0.02277 0.05487 -0.01482 0.00171 0.03277
215 7PY -0.02001 0.03168 0.00171 -0.01679 -0.05676
216 7PZ 0.00515 0.08647 -0.00609 -0.00351 0.00000
217 8PX 0.01541 -0.71571 0.66424 0.19661 -0.38414
218 8PY 0.32845 -0.41321 0.19661 0.43721 0.66535
219 8PZ 0.02677 -0.51000 0.17560 0.10138 0.00000
220 9PX -0.25098 -2.09223 -1.08608 -0.56975 -0.23341
221 9PY -0.12542 -1.20795 -0.56975 -0.42819 0.40427
222 9PZ -0.17551 -0.72202 -0.22434 -0.12952 0.00000
223 10D 0 0.01115 -0.00377 -0.00300 -0.00173 0.00000
224 10D+1 -0.00381 0.01447 -0.01722 -0.00376 0.00800
225 10D-1 -0.00846 0.00835 -0.00376 -0.01288 -0.01386
226 10D+2 0.01107 0.00765 -0.01696 -0.00121 -0.01483
227 10D-2 -0.00858 0.01325 -0.02080 -0.01696 0.00856
228 11D 0 -0.06252 0.02484 0.01002 0.00579 0.00000
229 11D+1 0.02738 -0.08019 0.09924 0.02193 -0.04308
230 11D-1 0.04416 -0.04630 0.02193 0.07392 0.07461
231 11D+2 -0.05378 -0.04587 0.10001 0.01461 0.09068
232 11D-2 0.05073 -0.07944 0.13009 0.10001 -0.05235
233 12D 0 0.07860 0.08575 -0.06250 -0.03608 0.00000
234 12D+1 -0.13986 -0.09884 -0.09870 0.03065 0.03579
235 12D-1 -0.00081 -0.05706 0.03065 -0.13409 -0.06198
236 12D+2 -0.08894 -0.11682 -0.07567 -0.28561 -0.62503
237 12D-2 0.04484 -0.20234 -0.37299 -0.07567 0.36086
238 13F 0 0.01577 -0.01278 -0.00540 -0.00312 0.00000
239 13F+1 -0.01057 0.00873 -0.01492 0.01385 -0.01611
240 13F-1 0.03419 0.00504 0.01385 -0.03091 0.02791
241 13F+2 0.01708 -0.00191 -0.00531 -0.00215 0.03929
242 13F-2 -0.00782 -0.00331 -0.00828 -0.00531 -0.02268
243 13F+3 0.00094 0.00000 -0.01146 0.01984 -0.01938
244 13F-3 0.00483 -0.00175 -0.02258 -0.01303 0.00000
245 14F 0 -0.10951 0.12232 0.01068 0.00616 0.00000
246 14F+1 0.07045 -0.07759 0.09530 -0.09258 0.11305
247 14F-1 -0.23825 -0.04480 -0.09258 0.20220 -0.19580
248 14F+2 -0.12838 -0.01520 0.05363 0.01994 -0.27742
249 14F-2 0.06428 -0.02632 0.08186 0.05363 0.16017
250 14F+3 -0.04474 0.00000 0.10240 -0.17736 0.11357
251 14F-3 -0.02574 -0.00171 0.17392 0.10041 0.00000
252 15G 0 -0.00056 0.00001 0.00003 0.00002 0.00000
253 15G+1 0.00233 0.00090 -0.00376 -0.00258 -0.00022
254 15G-1 0.00208 0.00052 -0.00258 -0.00078 0.00038
255 15G+2 -0.00020 -0.00105 -0.00248 0.00378 0.00485
256 15G-2 0.00111 -0.00183 0.00091 -0.00248 -0.00280
257 15G+3 -0.00064 0.00000 -0.00196 0.00340 0.00362
258 15G-3 -0.00027 -0.00045 -0.00007 -0.00004 0.00000
259 15G+4 -0.00124 -0.00132 0.00411 -0.00081 -0.00331
260 15G-4 0.00099 0.00228 -0.00394 -0.00411 -0.00191
111 112 113 114 115
(A1)--V (E)--V (E)--V (E)--V (E)--V
Eigenvalues -- 3.66174 3.80517 3.80517 3.85620 3.85620
1 1 Si 1S 0.07909 0.00000 0.00000 0.00000 0.00000
2 2S -0.00874 0.00000 0.00000 0.00000 0.00000
3 3S 0.87141 0.00000 0.00000 0.00000 0.00000
4 4S 1.43329 0.00000 0.00000 0.00000 0.00000
5 5S -2.84540 0.00000 0.00000 0.00000 0.00000
6 6S 9.57368 0.00000 0.00000 0.00000 0.00000
7 7S 0.71348 0.00000 0.00000 0.00000 0.00000
8 8PX 0.00000 -0.02684 0.00000 0.00000 0.03064
9 8PY 0.00000 0.00000 -0.02684 0.03064 0.00000
10 8PZ -0.00928 0.00000 0.00000 0.00000 0.00000
11 9PX 0.00000 0.06986 0.00000 0.00000 -0.22570
12 9PY 0.00000 0.00000 0.06986 -0.22570 0.00000
13 9PZ 0.20329 0.00000 0.00000 0.00000 0.00000
14 10PX 0.00000 0.15649 0.00000 0.00000 -0.72444
15 10PY 0.00000 0.00000 0.15649 -0.72444 0.00000
16 10PZ 0.69593 0.00000 0.00000 0.00000 0.00000
17 11PX 0.00000 0.02422 0.00000 0.00000 0.61182
18 11PY 0.00000 0.00000 0.02422 0.61182 0.00000
19 11PZ -1.31304 0.00000 0.00000 0.00000 0.00000
20 12PX 0.00000 -1.49102 0.00000 0.00000 -0.25106
21 12PY 0.00000 0.00000 -1.49102 -0.25106 0.00000
22 12PZ -1.97248 0.00000 0.00000 0.00000 0.00000
23 13PX 0.00000 0.00018 0.00000 0.00000 -0.12892
24 13PY 0.00000 0.00000 0.00018 -0.12892 0.00000
25 13PZ -0.08244 0.00000 0.00000 0.00000 0.00000
26 14D 0 -0.88834 0.00000 0.00000 0.00000 0.00000
27 14D+1 0.00000 -0.32304 0.00000 0.00000 0.26214
28 14D-1 0.00000 0.00000 -0.32304 0.26214 0.00000
29 14D+2 0.00000 0.00000 0.30343 1.16379 0.00000
30 14D-2 0.00000 0.30343 0.00000 0.00000 1.16379
31 15D 0 -0.66160 0.00000 0.00000 0.00000 0.00000
32 15D+1 0.00000 -1.81528 0.00000 0.00000 0.43747
33 15D-1 0.00000 0.00000 -1.81528 0.43747 0.00000
34 15D+2 0.00000 0.00000 -0.78210 2.38509 0.00000
35 15D-2 0.00000 -0.78210 0.00000 0.00000 2.38509
36 16D 0 0.07578 0.00000 0.00000 0.00000 0.00000
37 16D+1 0.00000 0.32256 0.00000 0.00000 -0.10708
38 16D-1 0.00000 0.00000 0.32256 -0.10708 0.00000
39 16D+2 0.00000 0.00000 0.19488 -0.38841 0.00000
40 16D-2 0.00000 0.19488 0.00000 0.00000 -0.38841
41 17D 0 0.01587 0.00000 0.00000 0.00000 0.00000
42 17D+1 0.00000 -0.01826 0.00000 0.00000 -0.00776
43 17D-1 0.00000 0.00000 -0.01826 -0.00776 0.00000
44 17D+2 0.00000 0.00000 0.01344 0.04634 0.00000
45 17D-2 0.00000 0.01344 0.00000 0.00000 0.04634
46 18F 0 0.72029 0.00000 0.00000 0.00000 0.00000
47 18F+1 0.00000 0.56020 0.00000 0.00000 -0.01123
48 18F-1 0.00000 0.00000 0.56020 -0.01123 0.00000
49 18F+2 0.00000 0.00000 0.29595 -0.64499 0.00000
50 18F-2 0.00000 0.29595 0.00000 0.00000 -0.64499
51 18F+3 0.00000 0.00000 0.00000 0.00000 0.00000
52 18F-3 -1.05745 0.00000 0.00000 0.00000 0.00000
53 19F 0 -0.22365 0.00000 0.00000 0.00000 0.00000
54 19F+1 0.00000 1.08718 0.00000 0.00000 -0.77427
55 19F-1 0.00000 0.00000 1.08718 -0.77427 0.00000
56 19F+2 0.00000 0.00000 1.83100 -0.73739 0.00000
57 19F-2 0.00000 1.83100 0.00000 0.00000 -0.73739
58 19F+3 0.00000 0.00000 0.00000 0.00000 0.00000
59 19F-3 0.92849 0.00000 0.00000 0.00000 0.00000
60 20F 0 0.49599 0.00000 0.00000 0.00000 0.00000
61 20F+1 0.00000 0.02860 0.00000 0.00000 0.28478
62 20F-1 0.00000 0.00000 0.02860 0.28478 0.00000
63 20F+2 0.00000 0.00000 -0.19155 -0.22405 0.00000
64 20F-2 0.00000 -0.19155 0.00000 0.00000 -0.22405
65 20F+3 0.00000 0.00000 0.00000 0.00000 0.00000
66 20F-3 -1.16795 0.00000 0.00000 0.00000 0.00000
67 21G 0 -0.13343 0.00000 0.00000 0.00000 0.00000
68 21G+1 0.00000 -0.05592 0.00000 0.00000 -0.06935
69 21G-1 0.00000 0.00000 -0.05592 -0.06935 0.00000
70 21G+2 0.00000 0.00000 -1.30035 -0.26742 0.00000
71 21G-2 0.00000 -1.30035 0.00000 0.00000 -0.26742
72 21G+3 0.00000 0.00000 0.00000 0.00000 0.00000
73 21G-3 0.24376 0.00000 0.00000 0.00000 0.00000
74 21G+4 0.00000 0.00000 -0.33379 1.78937 0.00000
75 21G-4 0.00000 0.33379 0.00000 0.00000 -1.78937
76 22G 0 0.14931 0.00000 0.00000 0.00000 0.00000
77 22G+1 0.00000 0.27697 0.00000 0.00000 0.10140
78 22G-1 0.00000 0.00000 0.27697 0.10140 0.00000
79 22G+2 0.00000 0.00000 0.53000 0.36766 0.00000
80 22G-2 0.00000 0.53000 0.00000 0.00000 0.36766
81 22G+3 0.00000 0.00000 0.00000 0.00000 0.00000
82 22G-3 0.02288 0.00000 0.00000 0.00000 0.00000
83 22G+4 0.00000 0.00000 -0.14169 -0.52340 0.00000
84 22G-4 0.00000 0.14169 0.00000 0.00000 0.52340
85 23H 0 -0.58386 0.00000 0.00000 0.00000 0.00000
86 23H+1 0.00000 -0.66621 0.00000 0.00000 0.11089
87 23H-1 0.00000 0.00000 -0.66621 0.11089 0.00000
88 23H+2 0.00000 0.00000 -0.11168 0.42663 0.00000
89 23H-2 0.00000 -0.11168 0.00000 0.00000 0.42663
90 23H+3 0.00000 0.00000 0.00000 0.00000 0.00000
91 23H-3 -0.06845 0.00000 0.00000 0.00000 0.00000
92 23H+4 0.00000 0.00000 -0.18358 -0.30394 0.00000
93 23H-4 0.00000 0.18358 0.00000 0.00000 0.30394
94 23H+5 0.00000 0.03353 0.00000 0.00000 0.40637
95 23H-5 0.00000 0.00000 -0.03353 -0.40637 0.00000
96 2 H 1S -0.00899 0.00000 -0.00557 0.00300 0.00000
97 2S 0.00030 0.00000 0.20002 -0.11771 0.00000
98 3S -0.16800 0.00000 -1.22421 0.21723 0.00000
99 4S -3.81520 0.00000 1.22811 1.96443 0.00000
100 5S 0.12607 0.00000 -0.04240 -0.01584 0.00000
101 6PX 0.00000 0.00234 0.00000 0.00000 -0.01371
102 6PY 0.01727 0.00000 0.01075 -0.00689 0.00000
103 6PZ -0.00810 0.00000 0.01515 -0.00217 0.00000
104 7PX 0.00000 0.00099 0.00000 0.00000 0.08831
105 7PY -0.11535 0.00000 -0.08302 0.05541 0.00000
106 7PZ 0.05067 0.00000 -0.08312 -0.00359 0.00000
107 8PX 0.00000 0.32854 0.00000 0.00000 -1.07276
108 8PY 0.35744 0.00000 0.97671 -0.48341 0.00000
109 8PZ -0.04331 0.00000 0.89727 -0.20119 0.00000
110 9PX 0.00000 0.57805 0.00000 0.00000 -1.60367
111 9PY 1.30544 0.00000 0.06175 -0.71308 0.00000
112 9PZ -0.26266 0.00000 1.62834 -0.24298 0.00000
113 10D 0 0.00598 0.00000 0.01105 0.00053 0.00000
114 10D+1 0.00000 0.02764 0.00000 0.00000 0.02729
115 10D-1 0.01369 0.00000 0.00889 0.01694 0.00000
116 10D+2 -0.00156 0.00000 -0.02720 -0.00895 0.00000
117 10D-2 0.00000 -0.01529 0.00000 0.00000 -0.01518
118 11D 0 -0.04362 0.00000 -0.06045 0.00407 0.00000
119 11D+1 0.00000 -0.14758 0.00000 0.00000 -0.13008
120 11D-1 -0.08340 0.00000 -0.01655 -0.10305 0.00000
121 11D+2 -0.00267 0.00000 0.14642 0.03669 0.00000
122 11D-2 0.00000 0.09174 0.00000 0.00000 0.06506
123 12D 0 0.32909 0.00000 0.53066 -0.49521 0.00000
124 12D+1 0.00000 0.00973 0.00000 0.00000 -0.52418
125 12D-1 0.16546 0.00000 -1.01978 0.17018 0.00000
126 12D+2 0.24080 0.00000 0.37196 -0.06923 0.00000
127 12D-2 0.00000 -0.57949 0.00000 0.00000 0.99530
128 13F 0 0.01129 0.00000 -0.01891 0.04869 0.00000
129 13F+1 0.00000 0.01963 0.00000 0.00000 0.02229
130 13F-1 -0.00967 0.00000 -0.01176 0.02000 0.00000
131 13F+2 0.01665 0.00000 0.05093 -0.04351 0.00000
132 13F-2 0.00000 -0.01584 0.00000 0.00000 -0.03091
133 13F+3 0.00000 -0.01003 0.00000 0.00000 -0.01874
134 13F-3 0.00202 0.00000 0.03588 -0.00409 0.00000
135 14F 0 -0.06056 0.00000 0.11401 -0.38670 0.00000
136 14F+1 0.00000 -0.14510 0.00000 0.00000 -0.16435
137 14F-1 0.04176 0.00000 0.00766 -0.12936 0.00000
138 14F+2 -0.09688 0.00000 -0.39903 0.29162 0.00000
139 14F-2 0.00000 0.13550 0.00000 0.00000 0.30106
140 14F+3 0.00000 0.07786 0.00000 0.00000 0.22447
141 14F-3 -0.03730 0.00000 -0.32835 0.04258 0.00000
142 15G 0 -0.00089 0.00000 -0.00445 0.00201 0.00000
143 15G+1 0.00000 0.00016 0.00000 0.00000 0.00233
144 15G-1 -0.00847 0.00000 0.00052 0.00219 0.00000
145 15G+2 -0.00368 0.00000 -0.00539 0.00209 0.00000
146 15G-2 0.00000 -0.00171 0.00000 0.00000 0.00178
147 15G+3 0.00000 -0.00283 0.00000 0.00000 0.00600
148 15G-3 -0.00375 0.00000 0.00189 0.00037 0.00000
149 15G+4 0.00102 0.00000 -0.00229 -0.00018 0.00000
150 15G-4 0.00000 0.00201 0.00000 0.00000 -0.00495
151 3 H 1S -0.00899 -0.00482 0.00278 -0.00150 0.00260
152 2S 0.00030 0.17322 -0.10001 0.05885 -0.10194
153 3S -0.16800 -1.06020 0.61211 -0.10861 0.18813
154 4S -3.81520 1.06357 -0.61405 -0.98221 1.70125
155 5S 0.12607 -0.03672 0.02120 0.00792 -0.01372
156 6PX 0.01495 0.00865 -0.00364 -0.00296 -0.00859
157 6PY -0.00863 -0.00364 0.00444 -0.01201 -0.00296
158 6PZ -0.00810 0.01312 -0.00757 0.00108 -0.00188
159 7PX -0.09989 -0.06202 0.03638 0.01425 0.06363
160 7PY 0.05767 0.03638 -0.02001 0.08008 0.01425
161 7PZ 0.05067 -0.07198 0.04156 0.00179 -0.00311
162 8PX 0.30955 0.81466 -0.28066 -0.25519 -0.63075
163 8PY -0.17872 -0.28066 0.49058 -0.92542 -0.25519
164 8PZ -0.04331 0.77706 -0.44863 0.10059 -0.17423
165 9PX 1.13055 0.19083 0.22356 -0.38564 -0.93573
166 9PY -0.65272 0.22356 0.44898 -1.38102 -0.38564
167 9PZ -0.26266 1.41018 -0.81417 0.12149 -0.21042
168 10D 0 0.00598 0.00957 -0.00552 -0.00026 0.00046
169 10D+1 0.01186 0.01358 0.00812 0.00448 0.01953
170 10D-1 -0.00685 0.00812 0.02295 0.02470 0.00448
171 10D+2 0.00078 0.00516 -0.01826 -0.01362 -0.00270
172 10D-2 -0.00135 -0.02422 0.00516 -0.00270 -0.01051
173 11D 0 -0.04362 -0.05235 0.03022 -0.00204 0.00353
174 11D+1 -0.07222 -0.04931 -0.05674 -0.01170 -0.10981
175 11D-1 0.04170 -0.05674 -0.11482 -0.12332 -0.01170
176 11D+2 0.00134 -0.02368 0.10541 0.05796 0.01229
177 11D-2 -0.00232 0.13275 -0.02368 0.01229 0.04378
178 12D 0 0.32909 0.45956 -0.26533 0.24760 -0.42886
179 12D+1 0.14330 -0.76241 0.44579 -0.30067 -0.00341
180 12D-1 -0.08273 0.44579 -0.24765 -0.35059 -0.30067
181 12D+2 -0.12040 -0.41199 -0.34163 0.72917 0.46096
182 12D-2 0.20854 0.13410 -0.41199 0.46096 0.19690
183 13F 0 0.01129 -0.01638 0.00946 -0.02435 0.04217
184 13F+1 -0.00838 -0.00392 0.01359 0.00099 0.02057
185 13F-1 0.00484 0.01359 0.01178 0.02172 0.00099
186 13F+2 -0.00832 -0.02891 0.00085 -0.03406 0.00546
187 13F-2 0.01442 0.03424 -0.02891 0.00546 -0.04036
188 13F+3 0.00000 0.00502 0.00869 0.01623 0.00937
189 13F-3 0.00202 0.03107 -0.01794 0.00205 -0.00354
190 14F 0 -0.06056 0.09874 -0.05700 0.19335 -0.33489
191 14F+1 0.03617 -0.03053 -0.06615 -0.01515 -0.13811
192 14F-1 -0.02088 -0.06615 -0.10691 -0.15560 -0.01515
193 14F+2 0.04844 0.23146 0.00187 0.29870 0.00409
194 14F-2 -0.08390 -0.26540 0.23146 0.00409 0.29398
195 14F+3 0.00000 -0.03893 -0.06743 -0.19440 -0.11224
196 14F-3 -0.03730 -0.28436 0.16417 -0.02129 0.03688
197 15G 0 -0.00089 -0.00385 0.00223 -0.00101 0.00174
198 15G+1 -0.00733 0.00043 -0.00015 0.00006 0.00223
199 15G-1 0.00423 -0.00015 0.00025 0.00229 0.00006
200 15G+2 0.00184 0.00160 -0.00263 0.00186 -0.00013
201 15G-2 -0.00319 -0.00447 0.00160 -0.00013 0.00201
202 15G+3 0.00000 0.00141 0.00245 -0.00520 -0.00300
203 15G-3 -0.00375 0.00164 -0.00094 -0.00019 0.00032
204 15G+4 -0.00051 0.00012 -0.00208 0.00366 0.00222
205 15G-4 -0.00088 0.00222 -0.00012 -0.00222 -0.00110
206 4 H 1S -0.00899 0.00482 0.00278 -0.00150 -0.00260
207 2S 0.00030 -0.17322 -0.10001 0.05885 0.10194
208 3S -0.16800 1.06020 0.61211 -0.10861 -0.18813
209 4S -3.81520 -1.06357 -0.61405 -0.98221 -1.70125
210 5S 0.12607 0.03672 0.02120 0.00792 0.01372
211 6PX -0.01495 0.00865 0.00364 0.00296 -0.00859
212 6PY -0.00863 0.00364 0.00444 -0.01201 0.00296
213 6PZ -0.00810 -0.01312 -0.00757 0.00108 0.00188
214 7PX 0.09989 -0.06202 -0.03638 -0.01425 0.06363
215 7PY 0.05767 -0.03638 -0.02001 0.08008 -0.01425
216 7PZ 0.05067 0.07198 0.04156 0.00179 0.00311
217 8PX -0.30955 0.81466 0.28066 0.25519 -0.63075
218 8PY -0.17872 0.28066 0.49058 -0.92542 0.25519
219 8PZ -0.04331 -0.77706 -0.44863 0.10059 0.17423
220 9PX -1.13055 0.19083 -0.22356 0.38564 -0.93573
221 9PY -0.65272 -0.22356 0.44898 -1.38102 0.38564
222 9PZ -0.26266 -1.41018 -0.81417 0.12149 0.21042
223 10D 0 0.00598 -0.00957 -0.00552 -0.00026 -0.00046
224 10D+1 -0.01186 0.01358 -0.00812 -0.00448 0.01953
225 10D-1 -0.00685 -0.00812 0.02295 0.02470 -0.00448
226 10D+2 0.00078 -0.00516 -0.01826 -0.01362 0.00270
227 10D-2 0.00135 -0.02422 -0.00516 0.00270 -0.01051
228 11D 0 -0.04362 0.05235 0.03022 -0.00204 -0.00353
229 11D+1 0.07222 -0.04931 0.05674 0.01170 -0.10981
230 11D-1 0.04170 0.05674 -0.11482 -0.12332 0.01170
231 11D+2 0.00134 0.02368 0.10541 0.05796 -0.01229
232 11D-2 0.00232 0.13275 0.02368 -0.01229 0.04378
233 12D 0 0.32909 -0.45956 -0.26533 0.24760 0.42886
234 12D+1 -0.14330 -0.76241 -0.44579 0.30067 -0.00341
235 12D-1 -0.08273 -0.44579 -0.24765 -0.35059 0.30067
236 12D+2 -0.12040 0.41199 -0.34163 0.72917 -0.46096
237 12D-2 -0.20854 0.13410 0.41199 -0.46096 0.19690
238 13F 0 0.01129 0.01638 0.00946 -0.02435 -0.04217
239 13F+1 0.00838 -0.00392 -0.01359 -0.00099 0.02057
240 13F-1 0.00484 -0.01359 0.01178 0.02172 -0.00099
241 13F+2 -0.00832 0.02891 0.00085 -0.03406 -0.00546
242 13F-2 -0.01442 0.03424 0.02891 -0.00546 -0.04036
243 13F+3 0.00000 0.00502 -0.00869 -0.01623 0.00937
244 13F-3 0.00202 -0.03107 -0.01794 0.00205 0.00354
245 14F 0 -0.06056 -0.09874 -0.05700 0.19335 0.33489
246 14F+1 -0.03617 -0.03053 0.06615 0.01515 -0.13811
247 14F-1 -0.02088 0.06615 -0.10691 -0.15560 0.01515
248 14F+2 0.04844 -0.23146 0.00187 0.29870 -0.00409
249 14F-2 0.08390 -0.26540 -0.23146 -0.00409 0.29398
250 14F+3 0.00000 -0.03893 0.06743 0.19440 -0.11224
251 14F-3 -0.03730 0.28436 0.16417 -0.02129 -0.03688
252 15G 0 -0.00089 0.00385 0.00223 -0.00101 -0.00174
253 15G+1 0.00733 0.00043 0.00015 -0.00006 0.00223
254 15G-1 0.00423 0.00015 0.00025 0.00229 -0.00006
255 15G+2 0.00184 -0.00160 -0.00263 0.00186 0.00013
256 15G-2 0.00319 -0.00447 -0.00160 0.00013 0.00201
257 15G+3 0.00000 0.00141 -0.00245 0.00520 -0.00300
258 15G-3 -0.00375 -0.00164 -0.00094 -0.00019 -0.00032
259 15G+4 -0.00051 -0.00012 -0.00208 0.00366 -0.00222
260 15G-4 0.00088 0.00222 0.00012 0.00222 -0.00110
116 117 118 119 120
(A2)--V (A1)--V (E)--V (E)--V (A1)--V
Eigenvalues -- 3.86029 3.86873 3.93822 3.93822 3.97590
1 1 Si 1S 0.00000 0.02571 0.00000 0.00000 0.04430
2 2S 0.00000 0.00355 0.00000 0.00000 -0.00121
3 3S 0.00000 0.32114 0.00000 0.00000 0.52298
4 4S 0.00000 0.61547 0.00000 0.00000 0.87851
5 5S 0.00000 0.42287 0.00000 0.00000 0.09873
6 6S 0.00000 -1.17364 0.00000 0.00000 1.04414
7 7S 0.00000 0.42533 0.00000 0.00000 0.03786
8 8PX 0.00000 0.00000 0.00461 0.00000 0.00000
9 8PY 0.00000 0.00000 0.00000 0.00461 0.00000
10 8PZ 0.00000 0.02205 0.00000 0.00000 0.02087
11 9PX 0.00000 0.00000 -0.24442 0.00000 0.00000
12 9PY 0.00000 0.00000 0.00000 -0.24442 0.00000
13 9PZ 0.00000 -0.33593 0.00000 0.00000 0.00866
14 10PX 0.00000 0.00000 -0.93369 0.00000 0.00000
15 10PY 0.00000 0.00000 0.00000 -0.93369 0.00000
16 10PZ 0.00000 -1.17909 0.00000 0.00000 0.06406
17 11PX 0.00000 0.00000 1.59472 0.00000 0.00000
18 11PY 0.00000 0.00000 0.00000 1.59472 0.00000
19 11PZ 0.00000 1.57404 0.00000 0.00000 -0.51992
20 12PX 0.00000 0.00000 2.87587 0.00000 0.00000
21 12PY 0.00000 0.00000 0.00000 2.87587 0.00000
22 12PZ 0.00000 1.28207 0.00000 0.00000 -0.48479
23 13PX 0.00000 0.00000 0.28910 0.00000 0.00000
24 13PY 0.00000 0.00000 0.00000 0.28910 0.00000
25 13PZ 0.00000 -0.08461 0.00000 0.00000 -0.03091
26 14D 0 0.00000 -0.38573 0.00000 0.00000 0.22776
27 14D+1 0.00000 0.00000 -1.07215 0.00000 0.00000
28 14D-1 0.00000 0.00000 0.00000 -1.07215 0.00000
29 14D+2 0.00000 0.00000 0.00000 -1.16164 0.00000
30 14D-2 0.00000 0.00000 -1.16164 0.00000 0.00000
31 15D 0 0.00000 -0.59929 0.00000 0.00000 0.74615
32 15D+1 0.00000 0.00000 -1.53285 0.00000 0.00000
33 15D-1 0.00000 0.00000 0.00000 -1.53285 0.00000
34 15D+2 0.00000 0.00000 0.00000 -0.78671 0.00000
35 15D-2 0.00000 0.00000 -0.78671 0.00000 0.00000
36 16D 0 0.00000 0.10716 0.00000 0.00000 -0.18002
37 16D+1 0.00000 0.00000 0.24193 0.00000 0.00000
38 16D-1 0.00000 0.00000 0.00000 0.24193 0.00000
39 16D+2 0.00000 0.00000 0.00000 0.12932 0.00000
40 16D-2 0.00000 0.00000 0.12932 0.00000 0.00000
41 17D 0 0.00000 -0.05037 0.00000 0.00000 0.00438
42 17D+1 0.00000 0.00000 -0.00904 0.00000 0.00000
43 17D-1 0.00000 0.00000 0.00000 -0.00904 0.00000
44 17D+2 0.00000 0.00000 0.00000 0.05196 0.00000
45 17D-2 0.00000 0.00000 0.05196 0.00000 0.00000
46 18F 0 0.00000 -0.27445 0.00000 0.00000 0.11682
47 18F+1 0.00000 0.00000 0.07860 0.00000 0.00000
48 18F-1 0.00000 0.00000 0.00000 0.07860 0.00000
49 18F+2 0.00000 0.00000 0.00000 0.73439 0.00000
50 18F-2 0.00000 0.00000 0.73439 0.00000 0.00000
51 18F+3 0.67042 0.00000 0.00000 0.00000 0.00000
52 18F-3 0.00000 -0.34802 0.00000 0.00000 0.17973
53 19F 0 0.00000 -1.06346 0.00000 0.00000 -0.70758
54 19F+1 0.00000 0.00000 -0.30010 0.00000 0.00000
55 19F-1 0.00000 0.00000 0.00000 -0.30010 0.00000
56 19F+2 0.00000 0.00000 0.00000 0.41957 0.00000
57 19F-2 0.00000 0.00000 0.41957 0.00000 0.00000
58 19F+3 -0.48994 0.00000 0.00000 0.00000 0.00000
59 19F-3 0.00000 1.05944 0.00000 0.00000 0.82931
60 20F 0 0.00000 0.19557 0.00000 0.00000 0.52542
61 20F+1 0.00000 0.00000 0.15026 0.00000 0.00000
62 20F-1 0.00000 0.00000 0.00000 0.15026 0.00000
63 20F+2 0.00000 0.00000 0.00000 0.17790 0.00000
64 20F-2 0.00000 0.00000 0.17790 0.00000 0.00000
65 20F+3 0.26934 0.00000 0.00000 0.00000 0.00000
66 20F-3 0.00000 -0.59376 0.00000 0.00000 -0.06218
67 21G 0 0.00000 1.07132 0.00000 0.00000 -0.74246
68 21G+1 0.00000 0.00000 1.23779 0.00000 0.00000
69 21G-1 0.00000 0.00000 0.00000 1.23779 0.00000
70 21G+2 0.00000 0.00000 0.00000 -0.33507 0.00000
71 21G-2 0.00000 0.00000 -0.33507 0.00000 0.00000
72 21G+3 -0.60122 0.00000 0.00000 0.00000 0.00000
73 21G-3 0.00000 -0.90531 0.00000 0.00000 -0.30318
74 21G+4 0.00000 0.00000 0.00000 0.12684 0.00000
75 21G-4 0.00000 0.00000 -0.12684 0.00000 0.00000
76 22G 0 0.00000 -0.44840 0.00000 0.00000 0.80180
77 22G+1 0.00000 0.00000 -0.90077 0.00000 0.00000
78 22G-1 0.00000 0.00000 0.00000 -0.90077 0.00000
79 22G+2 0.00000 0.00000 0.00000 0.19321 0.00000
80 22G-2 0.00000 0.00000 0.19321 0.00000 0.00000
81 22G+3 0.38638 0.00000 0.00000 0.00000 0.00000
82 22G-3 0.00000 0.19223 0.00000 0.00000 0.17806
83 22G+4 0.00000 0.00000 0.00000 0.11941 0.00000
84 22G-4 0.00000 0.00000 -0.11941 0.00000 0.00000
85 23H 0 0.00000 0.25325 0.00000 0.00000 0.57755
86 23H+1 0.00000 0.00000 -0.29216 0.00000 0.00000
87 23H-1 0.00000 0.00000 0.00000 -0.29216 0.00000
88 23H+2 0.00000 0.00000 0.00000 -0.34011 0.00000
89 23H-2 0.00000 0.00000 -0.34011 0.00000 0.00000
90 23H+3 -0.29886 0.00000 0.00000 0.00000 0.00000
91 23H-3 0.00000 0.50803 0.00000 0.00000 -0.44390
92 23H+4 0.00000 0.00000 0.00000 -0.38402 0.00000
93 23H-4 0.00000 0.00000 0.38402 0.00000 0.00000
94 23H+5 0.00000 0.00000 0.05873 0.00000 0.00000
95 23H-5 0.00000 0.00000 0.00000 -0.05873 0.00000
96 2 H 1S 0.00000 -0.00282 0.00000 0.00056 -0.00464
97 2S 0.00000 0.04539 0.00000 0.11932 0.20906
98 3S 0.00000 1.03800 0.00000 -1.82570 0.79564
99 4S 0.00000 -0.44172 0.00000 -2.46910 -0.99849
100 5S 0.00000 -0.02520 0.00000 -0.35913 0.02803
101 6PX -0.00096 0.00000 0.00118 0.00000 0.00000
102 6PY 0.00000 0.00414 0.00000 -0.00069 0.00304
103 6PZ 0.00000 -0.00550 0.00000 0.00470 -0.00083
104 7PX 0.00376 0.00000 0.00055 0.00000 0.00000
105 7PY 0.00000 -0.01331 0.00000 -0.01500 -0.00807
106 7PZ 0.00000 0.03550 0.00000 -0.02928 -0.00885
107 8PX -0.04077 0.00000 -0.20851 0.00000 0.00000
108 8PY 0.00000 -0.42447 0.00000 0.72002 -0.23769
109 8PZ 0.00000 -0.37532 0.00000 0.08183 0.29037
110 9PX 0.38813 0.00000 0.01897 0.00000 0.00000
111 9PY 0.00000 -0.07733 0.00000 0.83283 0.75843
112 9PZ 0.00000 -0.87665 0.00000 0.44935 0.11791
113 10D 0 0.00000 0.01066 0.00000 -0.03467 -0.01521
114 10D+1 0.01842 0.00000 0.01849 0.00000 0.00000
115 10D-1 0.00000 -0.01060 0.00000 -0.00200 0.02293
116 10D+2 0.00000 0.02220 0.00000 0.00019 0.00691
117 10D-2 0.01356 0.00000 -0.01648 0.00000 0.00000
118 11D 0 0.00000 -0.05876 0.00000 0.18217 0.08079
119 11D+1 -0.09609 0.00000 -0.09939 0.00000 0.00000
120 11D-1 0.00000 0.04129 0.00000 0.01953 -0.13530
121 11D+2 0.00000 -0.12758 0.00000 0.02117 -0.05943
122 11D-2 -0.07520 0.00000 0.08500 0.00000 0.00000
123 12D 0 0.00000 -0.20718 0.00000 0.40319 0.04801
124 12D+1 -0.00572 0.00000 -0.02952 0.00000 0.00000
125 12D-1 0.00000 0.48100 0.00000 -0.10003 -0.06132
126 12D+2 0.00000 -0.06804 0.00000 0.07485 0.27854
127 12D-2 0.02144 0.00000 0.12131 0.00000 0.00000
128 13F 0 0.00000 -0.04189 0.00000 -0.01141 -0.01124
129 13F+1 0.07653 0.00000 -0.03364 0.00000 0.00000
130 13F-1 0.00000 -0.02389 0.00000 0.03104 0.00868
131 13F+2 0.00000 0.03089 0.00000 -0.00093 0.03095
132 13F-2 0.00336 0.00000 -0.03049 0.00000 0.00000
133 13F+3 -0.00675 0.00000 0.00232 0.00000 0.00000
134 13F-3 0.00000 -0.01175 0.00000 -0.00992 0.00063
135 14F 0 0.00000 0.32424 0.00000 0.10824 0.04663
136 14F+1 -0.55614 0.00000 0.26465 0.00000 0.00000
137 14F-1 0.00000 0.21371 0.00000 -0.30035 -0.09026
138 14F+2 0.00000 -0.20270 0.00000 0.01503 -0.26149
139 14F-2 -0.00668 0.00000 0.24808 0.00000 0.00000
140 14F+3 0.04695 0.00000 0.01746 0.00000 0.00000
141 14F-3 0.00000 0.11598 0.00000 0.05118 -0.01124
142 15G 0 0.00000 0.00147 0.00000 -0.00260 -0.00019
143 15G+1 0.00032 0.00000 0.00150 0.00000 0.00000
144 15G-1 0.00000 -0.00072 0.00000 -0.00574 0.00661
145 15G+2 0.00000 0.00256 0.00000 -0.00205 0.00238
146 15G-2 -0.00149 0.00000 -0.00406 0.00000 0.00000
147 15G+3 -0.00034 0.00000 0.00018 0.00000 0.00000
148 15G-3 0.00000 -0.00092 0.00000 -0.00333 -0.00135
149 15G+4 0.00000 0.00113 0.00000 -0.00009 -0.00331
150 15G-4 -0.00394 0.00000 -0.00261 0.00000 0.00000
151 3 H 1S 0.00000 -0.00282 0.00049 -0.00028 -0.00464
152 2S 0.00000 0.04539 0.10333 -0.05966 0.20906
153 3S 0.00000 1.03800 -1.58110 0.91285 0.79564
154 4S 0.00000 -0.44172 -2.13830 1.23455 -0.99849
155 5S 0.00000 -0.02520 -0.31101 0.17956 0.02803
156 6PX 0.00048 0.00358 -0.00023 0.00081 0.00264
157 6PY 0.00083 -0.00207 0.00081 0.00071 -0.00152
158 6PZ 0.00000 -0.00550 0.00407 -0.00235 -0.00083
159 7PX -0.00188 -0.01153 -0.01111 0.00673 -0.00699
160 7PY -0.00326 0.00666 0.00673 -0.00334 0.00404
161 7PZ 0.00000 0.03550 -0.02536 0.01464 -0.00885
162 8PX 0.02039 -0.36760 0.48789 -0.40207 -0.20585
163 8PY 0.03531 0.21223 -0.40207 0.02363 0.11885
164 8PZ 0.00000 -0.37532 0.07087 -0.04091 0.29037
165 9PX -0.19406 -0.06697 0.62937 -0.35241 0.65682
166 9PY -0.33613 0.03866 -0.35241 0.22243 -0.37921
167 9PZ 0.00000 -0.87665 0.38915 -0.22467 0.11791
168 10D 0 0.00000 0.01066 -0.03002 0.01733 -0.01521
169 10D+1 -0.00921 -0.00918 0.00312 0.00887 0.01986
170 10D-1 -0.01596 0.00530 0.00887 0.01336 -0.01146
171 10D+2 -0.01175 -0.01110 -0.00722 -0.01231 -0.00346
172 10D-2 -0.00678 0.01923 -0.00398 -0.00722 0.00599
173 11D 0 0.00000 -0.05876 0.15777 -0.09109 0.08079
174 11D+1 0.04805 0.03576 -0.01020 -0.05150 -0.11717
175 11D-1 0.08322 -0.02065 -0.05150 -0.06966 0.06765
176 11D+2 0.06512 0.06379 0.02764 0.06905 0.02972
177 11D-2 0.03760 -0.11049 0.03713 0.02764 -0.05147
178 12D 0 0.00000 -0.20718 0.34917 -0.20159 0.04801
179 12D+1 0.00286 0.41656 -0.08240 0.03053 -0.05311
180 12D-1 0.00495 -0.24050 0.03053 -0.04715 0.03066
181 12D+2 -0.01857 0.03402 0.02012 0.10970 -0.13927
182 12D-2 -0.01072 -0.05893 0.08647 0.02012 0.24122
183 13F 0 0.00000 -0.04189 -0.00988 0.00571 -0.01124
184 13F+1 -0.03826 -0.02069 0.01487 -0.02801 0.00752
185 13F-1 -0.06628 0.01194 -0.02801 -0.01747 -0.00434
186 13F+2 -0.00291 -0.01545 -0.01280 -0.02310 -0.01547
187 13F-2 -0.00168 0.02675 -0.00832 -0.01280 0.02680
188 13F+3 -0.00675 0.00000 -0.00116 -0.00201 0.00000
189 13F-3 0.00000 -0.01175 -0.00859 0.00496 0.00063
190 14F 0 0.00000 0.32424 0.09374 -0.05412 0.04663
191 14F+1 0.27807 0.18508 -0.15910 0.24465 -0.07817
192 14F-1 0.48163 -0.10685 0.24465 0.12340 0.04513
193 14F+2 0.00578 0.10135 0.10091 0.18982 0.13075
194 14F-2 0.00334 -0.17554 0.07329 0.10091 -0.22646
195 14F+3 0.04695 0.00000 -0.00873 -0.01512 0.00000
196 14F-3 0.00000 0.11598 0.04432 -0.02559 -0.01124
197 15G 0 0.00000 0.00147 -0.00225 0.00130 -0.00019
198 15G+1 -0.00016 -0.00063 -0.00393 0.00313 0.00572
199 15G-1 -0.00028 0.00036 0.00313 -0.00031 -0.00330
200 15G+2 0.00129 -0.00128 -0.00087 -0.00356 -0.00119
201 15G-2 0.00074 0.00221 -0.00255 -0.00087 0.00206
202 15G+3 -0.00034 0.00000 -0.00009 -0.00016 0.00000
203 15G-3 0.00000 -0.00092 -0.00289 0.00167 -0.00135
204 15G+4 -0.00341 -0.00057 0.00117 0.00193 0.00166
205 15G-4 0.00197 -0.00098 -0.00058 -0.00117 0.00287
206 4 H 1S 0.00000 -0.00282 -0.00049 -0.00028 -0.00464
207 2S 0.00000 0.04539 -0.10333 -0.05966 0.20906
208 3S 0.00000 1.03800 1.58110 0.91285 0.79564
209 4S 0.00000 -0.44172 2.13830 1.23455 -0.99849
210 5S 0.00000 -0.02520 0.31101 0.17956 0.02803
211 6PX 0.00048 -0.00358 -0.00023 -0.00081 -0.00264
212 6PY -0.00083 -0.00207 -0.00081 0.00071 -0.00152
213 6PZ 0.00000 -0.00550 -0.00407 -0.00235 -0.00083
214 7PX -0.00188 0.01153 -0.01111 -0.00673 0.00699
215 7PY 0.00326 0.00666 -0.00673 -0.00334 0.00404
216 7PZ 0.00000 0.03550 0.02536 0.01464 -0.00885
217 8PX 0.02039 0.36760 0.48789 0.40207 0.20585
218 8PY -0.03531 0.21223 0.40207 0.02363 0.11885
219 8PZ 0.00000 -0.37532 -0.07087 -0.04091 0.29037
220 9PX -0.19406 0.06697 0.62937 0.35241 -0.65682
221 9PY 0.33613 0.03866 0.35241 0.22243 -0.37921
222 9PZ 0.00000 -0.87665 -0.38915 -0.22467 0.11791
223 10D 0 0.00000 0.01066 0.03002 0.01733 -0.01521
224 10D+1 -0.00921 0.00918 0.00312 -0.00887 -0.01986
225 10D-1 0.01596 0.00530 -0.00887 0.01336 -0.01146
226 10D+2 0.01175 -0.01110 0.00722 -0.01231 -0.00346
227 10D-2 -0.00678 -0.01923 -0.00398 0.00722 -0.00599
228 11D 0 0.00000 -0.05876 -0.15777 -0.09109 0.08079
229 11D+1 0.04805 -0.03576 -0.01020 0.05150 0.11717
230 11D-1 -0.08322 -0.02065 0.05150 -0.06966 0.06765
231 11D+2 -0.06512 0.06379 -0.02764 0.06905 0.02972
232 11D-2 0.03760 0.11049 0.03713 -0.02764 0.05147
233 12D 0 0.00000 -0.20718 -0.34917 -0.20159 0.04801
234 12D+1 0.00286 -0.41656 -0.08240 -0.03053 0.05311
235 12D-1 -0.00495 -0.24050 -0.03053 -0.04715 0.03066
236 12D+2 0.01857 0.03402 -0.02012 0.10970 -0.13927
237 12D-2 -0.01072 0.05893 0.08647 -0.02012 -0.24122
238 13F 0 0.00000 -0.04189 0.00988 0.00571 -0.01124
239 13F+1 -0.03826 0.02069 0.01487 0.02801 -0.00752
240 13F-1 0.06628 0.01194 0.02801 -0.01747 -0.00434
241 13F+2 0.00291 -0.01545 0.01280 -0.02310 -0.01547
242 13F-2 -0.00168 -0.02675 -0.00832 0.01280 -0.02680
243 13F+3 -0.00675 0.00000 -0.00116 0.00201 0.00000
244 13F-3 0.00000 -0.01175 0.00859 0.00496 0.00063
245 14F 0 0.00000 0.32424 -0.09374 -0.05412 0.04663
246 14F+1 0.27807 -0.18508 -0.15910 -0.24465 0.07817
247 14F-1 -0.48163 -0.10685 -0.24465 0.12340 0.04513
248 14F+2 -0.00578 0.10135 -0.10091 0.18982 0.13075
249 14F-2 0.00334 0.17554 0.07329 -0.10091 0.22646
250 14F+3 0.04695 0.00000 -0.00873 0.01512 0.00000
251 14F-3 0.00000 0.11598 -0.04432 -0.02559 -0.01124
252 15G 0 0.00000 0.00147 0.00225 0.00130 -0.00019
253 15G+1 -0.00016 0.00063 -0.00393 -0.00313 -0.00572
254 15G-1 0.00028 0.00036 -0.00313 -0.00031 -0.00330
255 15G+2 -0.00129 -0.00128 0.00087 -0.00356 -0.00119
256 15G-2 0.00074 -0.00221 -0.00255 0.00087 -0.00206
257 15G+3 -0.00034 0.00000 -0.00009 0.00016 0.00000
258 15G-3 0.00000 -0.00092 0.00289 0.00167 -0.00135
259 15G+4 0.00341 -0.00057 -0.00117 0.00193 0.00166
260 15G-4 0.00197 0.00098 -0.00058 0.00117 -0.00287
121 122 123 124 125
(E)--V (E)--V (A1)--V (A2)--V (A1)--V
Eigenvalues -- 4.03481 4.03481 4.13278 4.18897 4.20283
1 1 Si 1S 0.00000 0.00000 -0.05779 0.00000 0.02742
2 2S 0.00000 0.00000 0.01201 0.00000 -0.01133
3 3S 0.00000 0.00000 -0.63682 0.00000 0.33500
4 4S 0.00000 0.00000 -0.73683 0.00000 0.60340
5 5S 0.00000 0.00000 -1.29210 0.00000 -2.03811
6 6S 0.00000 0.00000 -1.75441 0.00000 10.03990
7 7S 0.00000 0.00000 0.35079 0.00000 2.73864
8 8PX -0.01468 0.00000 0.00000 0.00000 0.00000
9 8PY 0.00000 -0.01468 0.00000 0.00000 0.00000
10 8PZ 0.00000 0.00000 0.01283 0.00000 -0.00186
11 9PX -0.30748 0.00000 0.00000 0.00000 0.00000
12 9PY 0.00000 -0.30748 0.00000 0.00000 0.00000
13 9PZ 0.00000 0.00000 -0.02368 0.00000 0.12982
14 10PX -1.27395 0.00000 0.00000 0.00000 0.00000
15 10PY 0.00000 -1.27395 0.00000 0.00000 0.00000
16 10PZ 0.00000 0.00000 -0.12638 0.00000 0.46915
17 11PX 2.94353 0.00000 0.00000 0.00000 0.00000
18 11PY 0.00000 2.94353 0.00000 0.00000 0.00000
19 11PZ 0.00000 0.00000 0.74131 0.00000 -1.12442
20 12PX 3.01049 0.00000 0.00000 0.00000 0.00000
21 12PY 0.00000 3.01049 0.00000 0.00000 0.00000
22 12PZ 0.00000 0.00000 0.55995 0.00000 -2.59404
23 13PX 0.20616 0.00000 0.00000 0.00000 0.00000
24 13PY 0.00000 0.20616 0.00000 0.00000 0.00000
25 13PZ 0.00000 0.00000 -0.08348 0.00000 -0.22845
26 14D 0 0.00000 0.00000 -0.26187 0.00000 -1.16802
27 14D+1 -0.31732 0.00000 0.00000 0.00000 0.00000
28 14D-1 0.00000 -0.31732 0.00000 0.00000 0.00000
29 14D+2 0.00000 -0.91476 0.00000 0.00000 0.00000
30 14D-2 -0.91476 0.00000 0.00000 0.00000 0.00000
31 15D 0 0.00000 0.00000 -0.72481 0.00000 -0.23410
32 15D+1 -1.02331 0.00000 0.00000 0.00000 0.00000
33 15D-1 0.00000 -1.02331 0.00000 0.00000 0.00000
34 15D+2 0.00000 -2.06936 0.00000 0.00000 0.00000
35 15D-2 -2.06936 0.00000 0.00000 0.00000 0.00000
36 16D 0 0.00000 0.00000 0.41101 0.00000 -0.03057
37 16D+1 0.04829 0.00000 0.00000 0.00000 0.00000
38 16D-1 0.00000 0.04829 0.00000 0.00000 0.00000
39 16D+2 0.00000 0.25446 0.00000 0.00000 0.00000
40 16D-2 0.25446 0.00000 0.00000 0.00000 0.00000
41 17D 0 0.00000 0.00000 0.08137 0.00000 -0.02304
42 17D+1 -0.01489 0.00000 0.00000 0.00000 0.00000
43 17D-1 0.00000 -0.01489 0.00000 0.00000 0.00000
44 17D+2 0.00000 0.03265 0.00000 0.00000 0.00000
45 17D-2 0.03265 0.00000 0.00000 0.00000 0.00000
46 18F 0 0.00000 0.00000 0.23292 0.00000 0.66502
47 18F+1 -0.58010 0.00000 0.00000 0.00000 0.00000
48 18F-1 0.00000 -0.58010 0.00000 0.00000 0.00000
49 18F+2 0.00000 -0.02329 0.00000 0.00000 0.00000
50 18F-2 -0.02329 0.00000 0.00000 0.00000 0.00000
51 18F+3 0.00000 0.00000 0.00000 -0.66343 0.00000
52 18F-3 0.00000 0.00000 -0.33297 0.00000 -1.26840
53 19F 0 0.00000 0.00000 0.05514 0.00000 -0.25604
54 19F+1 -0.00501 0.00000 0.00000 0.00000 0.00000
55 19F-1 0.00000 -0.00501 0.00000 0.00000 0.00000
56 19F+2 0.00000 0.67079 0.00000 0.00000 0.00000
57 19F-2 0.67079 0.00000 0.00000 0.00000 0.00000
58 19F+3 0.00000 0.00000 0.00000 1.48707 0.00000
59 19F-3 0.00000 0.00000 -1.54526 0.00000 1.14000
60 20F 0 0.00000 0.00000 -0.01410 0.00000 0.35483
61 20F+1 -0.41318 0.00000 0.00000 0.00000 0.00000
62 20F-1 0.00000 -0.41318 0.00000 0.00000 0.00000
63 20F+2 0.00000 -0.17589 0.00000 0.00000 0.00000
64 20F-2 -0.17589 0.00000 0.00000 0.00000 0.00000
65 20F+3 0.00000 0.00000 0.00000 -0.67821 0.00000
66 20F-3 0.00000 0.00000 0.73644 0.00000 -0.55045
67 21G 0 0.00000 0.00000 0.47645 0.00000 -0.04594
68 21G+1 0.22911 0.00000 0.00000 0.00000 0.00000
69 21G-1 0.00000 0.22911 0.00000 0.00000 0.00000
70 21G+2 0.00000 0.64865 0.00000 0.00000 0.00000
71 21G-2 0.64865 0.00000 0.00000 0.00000 0.00000
72 21G+3 0.00000 0.00000 0.00000 0.74498 0.00000
73 21G-3 0.00000 0.00000 1.22456 0.00000 0.27253
74 21G+4 0.00000 0.91781 0.00000 0.00000 0.00000
75 21G-4 -0.91781 0.00000 0.00000 0.00000 0.00000
76 22G 0 0.00000 0.00000 -0.06538 0.00000 -0.40903
77 22G+1 -0.04112 0.00000 0.00000 0.00000 0.00000
78 22G-1 0.00000 -0.04112 0.00000 0.00000 0.00000
79 22G+2 0.00000 -0.51468 0.00000 0.00000 0.00000
80 22G-2 -0.51468 0.00000 0.00000 0.00000 0.00000
81 22G+3 0.00000 0.00000 0.00000 -1.07747 0.00000
82 22G-3 0.00000 0.00000 -0.87224 0.00000 -0.77242
83 22G+4 0.00000 -0.56872 0.00000 0.00000 0.00000
84 22G-4 0.56872 0.00000 0.00000 0.00000 0.00000
85 23H 0 0.00000 0.00000 -0.26647 0.00000 0.32186
86 23H+1 0.31652 0.00000 0.00000 0.00000 0.00000
87 23H-1 0.00000 0.31652 0.00000 0.00000 0.00000
88 23H+2 0.00000 -0.14293 0.00000 0.00000 0.00000
89 23H-2 -0.14293 0.00000 0.00000 0.00000 0.00000
90 23H+3 0.00000 0.00000 0.00000 -0.64160 0.00000
91 23H-3 0.00000 0.00000 0.11762 0.00000 -0.16732
92 23H+4 0.00000 -0.41341 0.00000 0.00000 0.00000
93 23H-4 0.41341 0.00000 0.00000 0.00000 0.00000
94 23H+5 -0.23922 0.00000 0.00000 0.00000 0.00000
95 23H-5 0.00000 0.23922 0.00000 0.00000 0.00000
96 2 H 1S 0.00000 -0.00230 0.00514 0.00000 -0.00083
97 2S 0.00000 0.51109 -0.05540 0.00000 0.77809
98 3S 0.00000 -2.70308 -1.55892 0.00000 -0.55457
99 4S 0.00000 -2.41265 1.94620 0.00000 -4.32286
100 5S 0.00000 -0.40462 -0.24074 0.00000 -0.52010
101 6PX 0.00792 0.00000 0.00000 0.01136 0.00000
102 6PY 0.00000 -0.00691 -0.01511 0.00000 -0.01490
103 6PZ 0.00000 0.00381 -0.00357 0.00000 0.00284
104 7PX -0.04108 0.00000 0.00000 -0.06295 0.00000
105 7PY 0.00000 0.03027 0.09726 0.00000 0.13004
106 7PZ 0.00000 -0.01369 0.01598 0.00000 -0.03091
107 8PX -0.02018 0.00000 0.00000 0.34410 0.00000
108 8PY 0.00000 0.85258 0.12103 0.00000 -0.29394
109 8PZ 0.00000 -0.38694 -0.24028 0.00000 0.28344
110 9PX -0.13002 0.00000 0.00000 -0.18461 0.00000
111 9PY 0.00000 1.02989 -1.20654 0.00000 2.03447
112 9PZ 0.00000 -0.90784 0.08827 0.00000 -0.50760
113 10D 0 0.00000 0.00833 0.00028 0.00000 -0.00313
114 10D+1 0.00907 0.00000 0.00000 0.01005 0.00000
115 10D-1 0.00000 -0.02095 0.01783 0.00000 0.01451
116 10D+2 0.00000 -0.00817 -0.01961 0.00000 0.02670
117 10D-2 -0.03152 0.00000 0.00000 -0.02383 0.00000
118 11D 0 0.00000 -0.03720 0.02066 0.00000 0.01233
119 11D+1 -0.05751 0.00000 0.00000 -0.07514 0.00000
120 11D-1 0.00000 0.13047 -0.09086 0.00000 -0.08423
121 11D+2 0.00000 0.05288 0.14248 0.00000 -0.16209
122 11D-2 0.17861 0.00000 0.00000 0.15353 0.00000
123 12D 0 0.00000 0.04451 -0.32688 0.00000 0.23804
124 12D+1 0.09047 0.00000 0.00000 0.38534 0.00000
125 12D-1 0.00000 0.28094 0.04634 0.00000 0.06314
126 12D+2 0.00000 0.41520 -0.40052 0.00000 0.43865
127 12D-2 -0.07935 0.00000 0.00000 -0.26337 0.00000
128 13F 0 0.00000 -0.03332 -0.02629 0.00000 0.01314
129 13F+1 0.00355 0.00000 0.00000 0.01264 0.00000
130 13F-1 0.00000 -0.02456 -0.00217 0.00000 0.01426
131 13F+2 0.00000 0.01459 0.04317 0.00000 -0.00965
132 13F-2 0.00321 0.00000 0.00000 0.00399 0.00000
133 13F+3 -0.03628 0.00000 0.00000 -0.01909 0.00000
134 13F-3 0.00000 0.02132 0.02208 0.00000 -0.02101
135 14F 0 0.00000 0.26121 0.19779 0.00000 -0.12300
136 14F+1 -0.02778 0.00000 0.00000 -0.07382 0.00000
137 14F-1 0.00000 0.18233 0.04229 0.00000 -0.11142
138 14F+2 0.00000 -0.06276 -0.33986 0.00000 0.02959
139 14F-2 -0.03248 0.00000 0.00000 -0.06921 0.00000
140 14F+3 0.28834 0.00000 0.00000 0.13569 0.00000
141 14F-3 0.00000 -0.20777 -0.15945 0.00000 0.19866
142 15G 0 0.00000 -0.00279 0.00534 0.00000 0.00123
143 15G+1 -0.00408 0.00000 0.00000 -0.00139 0.00000
144 15G-1 0.00000 0.00002 -0.00013 0.00000 0.00108
145 15G+2 0.00000 -0.00269 0.00541 0.00000 -0.00077
146 15G-2 -0.00056 0.00000 0.00000 -0.00718 0.00000
147 15G+3 -0.00500 0.00000 0.00000 -0.01232 0.00000
148 15G-3 0.00000 -0.00403 0.00014 0.00000 0.00450
149 15G+4 0.00000 -0.00790 0.00387 0.00000 -0.00312
150 15G-4 0.00238 0.00000 0.00000 0.00514 0.00000
151 3 H 1S -0.00199 0.00115 0.00514 0.00000 -0.00083
152 2S 0.44262 -0.25555 -0.05540 0.00000 0.77809
153 3S -2.34094 1.35154 -1.55892 0.00000 -0.55457
154 4S -2.08942 1.20633 1.94620 0.00000 -4.32286
155 5S -0.35041 0.20231 -0.24074 0.00000 -0.52010
156 6PX -0.00321 0.00642 -0.01308 -0.00568 -0.01291
157 6PY 0.00642 0.00421 0.00755 -0.00984 0.00745
158 6PZ 0.00330 -0.00191 -0.00357 0.00000 0.00284
159 7PX 0.01244 -0.03090 0.08423 0.03147 0.11262
160 7PY -0.03090 -0.02324 -0.04863 0.05451 -0.06502
161 7PZ -0.01185 0.00684 0.01598 0.00000 -0.03091
162 8PX 0.63439 -0.37792 0.10482 -0.17205 -0.25456
163 8PY -0.37792 0.19801 -0.06052 -0.29800 0.14697
164 8PZ -0.33510 0.19347 -0.24028 0.00000 0.28344
165 9PX 0.73992 -0.50226 -1.04489 0.09231 1.76190
166 9PY -0.50226 0.15996 0.60327 0.15988 -1.01723
167 9PZ -0.78621 0.45392 0.08827 0.00000 -0.50760
168 10D 0 0.00721 -0.00416 0.00028 0.00000 -0.00313
169 10D+1 -0.01344 0.01300 0.01544 -0.00503 0.01257
170 10D-1 0.01300 0.00157 -0.00891 -0.00870 -0.00726
171 10D+2 -0.01011 -0.02568 0.00980 0.02064 -0.01335
172 10D-2 -0.01401 -0.01011 -0.01698 0.01192 0.02312
173 11D 0 -0.03221 0.01860 0.02066 0.00000 0.01233
174 11D+1 0.08347 -0.08140 -0.07868 0.03757 -0.07295
175 11D-1 -0.08140 -0.01052 0.04543 0.06507 0.04211
176 11D+2 0.05444 0.14717 -0.07124 -0.13296 0.08104
177 11D-2 0.08431 0.05444 0.12339 -0.07677 -0.14037
178 12D 0 0.03855 -0.02226 -0.32688 0.00000 0.23804
179 12D+1 0.23332 -0.08248 0.04013 -0.19267 0.05468
180 12D-1 -0.08248 0.13809 -0.02317 -0.33371 -0.03157
181 12D+2 -0.21415 0.04429 0.20026 0.22808 -0.21932
182 12D-2 0.29156 -0.21415 -0.34686 0.13168 0.37988
183 13F 0 -0.02886 0.01666 -0.02629 0.00000 0.01314
184 13F+1 -0.01753 0.01217 -0.00188 -0.00632 0.01235
185 13F-1 0.01217 -0.00348 0.00109 -0.01094 -0.00713
186 13F+2 -0.00493 0.00606 -0.02158 -0.00346 0.00482
187 13F-2 0.01175 -0.00493 0.03738 -0.00200 -0.00836
188 13F+3 0.01814 0.03142 0.00000 -0.01909 0.00000
189 13F-3 0.01846 -0.01066 0.02208 0.00000 -0.02101
190 14F 0 0.22621 -0.13060 0.19779 0.00000 -0.12300
191 14F+1 0.12980 -0.09098 0.03663 0.03691 -0.09650
192 14F-1 -0.09098 0.02475 -0.02115 0.06393 0.05571
193 14F+2 0.01311 -0.04005 0.16993 0.05993 -0.01479
194 14F-2 -0.05519 0.01311 -0.29432 0.03460 0.02562
195 14F+3 -0.14417 -0.24971 0.00000 0.13569 0.00000
196 14F-3 -0.17993 0.10388 -0.15945 0.00000 0.19866
197 15G 0 -0.00241 0.00139 0.00534 0.00000 0.00123
198 15G+1 -0.00101 -0.00177 -0.00011 0.00070 0.00094
199 15G-1 -0.00177 -0.00306 0.00006 0.00121 -0.00054
200 15G+2 0.00092 -0.00109 -0.00270 0.00622 0.00039
201 15G-2 -0.00215 0.00092 0.00468 0.00359 -0.00067
202 15G+3 0.00250 0.00433 0.00000 -0.01232 0.00000
203 15G-3 -0.00349 0.00202 0.00014 0.00000 0.00450
204 15G+4 0.00239 -0.00376 -0.00194 0.00445 0.00156
205 15G-4 0.00652 -0.00239 -0.00335 -0.00257 0.00270
206 4 H 1S 0.00199 0.00115 0.00514 0.00000 -0.00083
207 2S -0.44262 -0.25555 -0.05540 0.00000 0.77809
208 3S 2.34094 1.35154 -1.55892 0.00000 -0.55457
209 4S 2.08942 1.20633 1.94620 0.00000 -4.32286
210 5S 0.35041 0.20231 -0.24074 0.00000 -0.52010
211 6PX -0.00321 -0.00642 0.01308 -0.00568 0.01291
212 6PY -0.00642 0.00421 0.00755 0.00984 0.00745
213 6PZ -0.00330 -0.00191 -0.00357 0.00000 0.00284
214 7PX 0.01244 0.03090 -0.08423 0.03147 -0.11262
215 7PY 0.03090 -0.02324 -0.04863 -0.05451 -0.06502
216 7PZ 0.01185 0.00684 0.01598 0.00000 -0.03091
217 8PX 0.63439 0.37792 -0.10482 -0.17205 0.25456
218 8PY 0.37792 0.19801 -0.06052 0.29800 0.14697
219 8PZ 0.33510 0.19347 -0.24028 0.00000 0.28344
220 9PX 0.73992 0.50226 1.04489 0.09231 -1.76190
221 9PY 0.50226 0.15996 0.60327 -0.15988 -1.01723
222 9PZ 0.78621 0.45392 0.08827 0.00000 -0.50760
223 10D 0 -0.00721 -0.00416 0.00028 0.00000 -0.00313
224 10D+1 -0.01344 -0.01300 -0.01544 -0.00503 -0.01257
225 10D-1 -0.01300 0.00157 -0.00891 0.00870 -0.00726
226 10D+2 0.01011 -0.02568 0.00980 -0.02064 -0.01335
227 10D-2 -0.01401 0.01011 0.01698 0.01192 -0.02312
228 11D 0 0.03221 0.01860 0.02066 0.00000 0.01233
229 11D+1 0.08347 0.08140 0.07868 0.03757 0.07295
230 11D-1 0.08140 -0.01052 0.04543 -0.06507 0.04211
231 11D+2 -0.05444 0.14717 -0.07124 0.13296 0.08104
232 11D-2 0.08431 -0.05444 -0.12339 -0.07677 0.14037
233 12D 0 -0.03855 -0.02226 -0.32688 0.00000 0.23804
234 12D+1 0.23332 0.08248 -0.04013 -0.19267 -0.05468
235 12D-1 0.08248 0.13809 -0.02317 0.33371 -0.03157
236 12D+2 0.21415 0.04429 0.20026 -0.22808 -0.21932
237 12D-2 0.29156 0.21415 0.34686 0.13168 -0.37988
238 13F 0 0.02886 0.01666 -0.02629 0.00000 0.01314
239 13F+1 -0.01753 -0.01217 0.00188 -0.00632 -0.01235
240 13F-1 -0.01217 -0.00348 0.00109 0.01094 -0.00713
241 13F+2 0.00493 0.00606 -0.02158 0.00346 0.00482
242 13F-2 0.01175 0.00493 -0.03738 -0.00200 0.00836
243 13F+3 0.01814 -0.03142 0.00000 -0.01909 0.00000
244 13F-3 -0.01846 -0.01066 0.02208 0.00000 -0.02101
245 14F 0 -0.22621 -0.13060 0.19779 0.00000 -0.12300
246 14F+1 0.12980 0.09098 -0.03663 0.03691 0.09650
247 14F-1 0.09098 0.02475 -0.02115 -0.06393 0.05571
248 14F+2 -0.01311 -0.04005 0.16993 -0.05993 -0.01479
249 14F-2 -0.05519 -0.01311 0.29432 0.03460 -0.02562
250 14F+3 -0.14417 0.24971 0.00000 0.13569 0.00000
251 14F-3 0.17993 0.10388 -0.15945 0.00000 0.19866
252 15G 0 0.00241 0.00139 0.00534 0.00000 0.00123
253 15G+1 -0.00101 0.00177 0.00011 0.00070 -0.00094
254 15G-1 0.00177 -0.00306 0.00006 -0.00121 -0.00054
255 15G+2 -0.00092 -0.00109 -0.00270 -0.00622 0.00039
256 15G-2 -0.00215 -0.00092 -0.00468 0.00359 0.00067
257 15G+3 0.00250 -0.00433 0.00000 -0.01232 0.00000
258 15G-3 0.00349 0.00202 0.00014 0.00000 0.00450
259 15G+4 -0.00239 -0.00376 -0.00194 -0.00445 0.00156
260 15G-4 0.00652 0.00239 0.00335 -0.00257 -0.00270
126 127 128 129 130
(E)--V (E)--V (E)--V (E)--V (E)--V
Eigenvalues -- 4.22595 4.22595 4.30448 4.30448 4.35230
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 6S 0.00000 0.00000 0.00000 0.00000 0.00000
7 7S 0.00000 0.00000 0.00000 0.00000 0.00000
8 8PX -0.00697 0.00000 0.00000 0.00443 0.05318
9 8PY 0.00000 0.00697 0.00443 0.00000 0.00000
10 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
11 9PX -0.03034 0.00000 0.00000 0.00160 -0.27510
12 9PY 0.00000 0.03034 0.00160 0.00000 0.00000
13 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
14 10PX -0.11642 0.00000 0.00000 0.00898 -1.05269
15 10PY 0.00000 0.11642 0.00898 0.00000 0.00000
16 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000
17 11PX 0.49829 0.00000 0.00000 -0.05711 0.75541
18 11PY 0.00000 -0.49829 -0.05711 0.00000 0.00000
19 11PZ 0.00000 0.00000 0.00000 0.00000 0.00000
20 12PX 2.01226 0.00000 0.00000 0.39310 -1.15226
21 12PY 0.00000 -2.01226 0.39310 0.00000 0.00000
22 12PZ 0.00000 0.00000 0.00000 0.00000 0.00000
23 13PX 0.18966 0.00000 0.00000 -0.01485 -0.39397
24 13PY 0.00000 -0.18966 -0.01485 0.00000 0.00000
25 13PZ 0.00000 0.00000 0.00000 0.00000 0.00000
26 14D 0 0.00000 0.00000 0.00000 0.00000 0.00000
27 14D+1 -0.59528 0.00000 0.00000 0.31973 0.50348
28 14D-1 0.00000 0.59528 0.31973 0.00000 0.00000
29 14D+2 0.00000 0.69116 -0.13933 0.00000 0.00000
30 14D-2 -0.69116 0.00000 0.00000 -0.13933 0.71181
31 15D 0 0.00000 0.00000 0.00000 0.00000 0.00000
32 15D+1 -1.09049 0.00000 0.00000 1.96469 0.01231
33 15D-1 0.00000 1.09049 1.96469 0.00000 0.00000
34 15D+2 0.00000 -0.05004 0.45535 0.00000 0.00000
35 15D-2 0.05004 0.00000 0.00000 0.45535 -0.89649
36 16D 0 0.00000 0.00000 0.00000 0.00000 0.00000
37 16D+1 0.19380 0.00000 0.00000 -0.43270 0.07674
38 16D-1 0.00000 -0.19380 -0.43270 0.00000 0.00000
39 16D+2 0.00000 0.06061 -0.02276 0.00000 0.00000
40 16D-2 -0.06061 0.00000 0.00000 -0.02276 0.20801
41 17D 0 0.00000 0.00000 0.00000 0.00000 0.00000
42 17D+1 -0.00884 0.00000 0.00000 -0.10504 0.09548
43 17D-1 0.00000 0.00884 -0.10504 0.00000 0.00000
44 17D+2 0.00000 0.01551 0.06798 0.00000 0.00000
45 17D-2 -0.01551 0.00000 0.00000 0.06798 -0.03424
46 18F 0 0.00000 0.00000 0.00000 0.00000 0.00000
47 18F+1 -0.15738 0.00000 0.00000 -0.11676 -0.06801
48 18F-1 0.00000 0.15738 -0.11676 0.00000 0.00000
49 18F+2 0.00000 -0.39965 -0.01323 0.00000 0.00000
50 18F-2 0.39965 0.00000 0.00000 -0.01323 -0.42619
51 18F+3 0.00000 0.00000 0.00000 0.00000 0.00000
52 18F-3 0.00000 0.00000 0.00000 0.00000 0.00000
53 19F 0 0.00000 0.00000 0.00000 0.00000 0.00000
54 19F+1 0.76198 0.00000 0.00000 -1.57560 -0.86799
55 19F-1 0.00000 -0.76198 -1.57560 0.00000 0.00000
56 19F+2 0.00000 -0.01887 -1.64673 0.00000 0.00000
57 19F-2 0.01887 0.00000 0.00000 -1.64673 0.61049
58 19F+3 0.00000 0.00000 0.00000 0.00000 0.00000
59 19F-3 0.00000 0.00000 0.00000 0.00000 0.00000
60 20F 0 0.00000 0.00000 0.00000 0.00000 0.00000
61 20F+1 -0.11242 0.00000 0.00000 0.46165 0.06865
62 20F-1 0.00000 0.11242 0.46165 0.00000 0.00000
63 20F+2 0.00000 -0.09887 0.21050 0.00000 0.00000
64 20F-2 0.09887 0.00000 0.00000 0.21050 -0.09947
65 20F+3 0.00000 0.00000 0.00000 0.00000 0.00000
66 20F-3 0.00000 0.00000 0.00000 0.00000 0.00000
67 21G 0 0.00000 0.00000 0.00000 0.00000 0.00000
68 21G+1 0.30922 0.00000 0.00000 -0.23661 0.35671
69 21G-1 0.00000 -0.30922 -0.23661 0.00000 0.00000
70 21G+2 0.00000 0.01304 0.60708 0.00000 0.00000
71 21G-2 -0.01304 0.00000 0.00000 0.60708 0.46840
72 21G+3 0.00000 0.00000 0.00000 0.00000 0.00000
73 21G-3 0.00000 0.00000 0.00000 0.00000 0.00000
74 21G+4 0.00000 0.05116 0.22915 0.00000 0.00000
75 21G-4 0.05116 0.00000 0.00000 -0.22915 -0.84680
76 22G 0 0.00000 0.00000 0.00000 0.00000 0.00000
77 22G+1 -0.44409 0.00000 0.00000 -0.18916 0.09658
78 22G-1 0.00000 0.44409 -0.18916 0.00000 0.00000
79 22G+2 0.00000 0.18843 0.49936 0.00000 0.00000
80 22G-2 -0.18843 0.00000 0.00000 0.49936 -0.05238
81 22G+3 0.00000 0.00000 0.00000 0.00000 0.00000
82 22G-3 0.00000 0.00000 0.00000 0.00000 0.00000
83 22G+4 0.00000 -0.04365 0.25474 0.00000 0.00000
84 22G-4 -0.04365 0.00000 0.00000 -0.25474 -0.15951
85 23H 0 0.00000 0.00000 0.00000 0.00000 0.00000
86 23H+1 -0.49200 0.00000 0.00000 0.92272 0.17984
87 23H-1 0.00000 0.49200 0.92272 0.00000 0.00000
88 23H+2 0.00000 0.32168 -0.03220 0.00000 0.00000
89 23H-2 -0.32168 0.00000 0.00000 -0.03220 -0.70541
90 23H+3 0.00000 0.00000 0.00000 0.00000 0.00000
91 23H-3 0.00000 0.00000 0.00000 0.00000 0.00000
92 23H+4 0.00000 -0.17965 0.09367 0.00000 0.00000
93 23H-4 -0.17965 0.00000 0.00000 -0.09367 0.57322
94 23H+5 0.41783 0.00000 0.00000 0.17085 -0.27157
95 23H-5 0.00000 0.41783 -0.17085 0.00000 0.00000
96 2 H 1S 0.00000 0.00209 0.00234 0.00000 0.00000
97 2S 0.00000 -0.41045 -0.07457 0.00000 0.00000
98 3S 0.00000 0.44367 0.82803 0.00000 0.00000
99 4S 0.00000 2.26103 -0.20936 0.00000 0.00000
100 5S 0.00000 0.25270 0.04318 0.00000 0.00000
101 6PX 0.00205 0.00000 0.00000 0.00090 -0.01640
102 6PY 0.00000 0.00538 -0.01038 0.00000 0.00000
103 6PZ 0.00000 -0.01155 -0.02623 0.00000 0.00000
104 7PX -0.01036 0.00000 0.00000 -0.00947 0.09320
105 7PY 0.00000 -0.05427 0.06761 0.00000 0.00000
106 7PZ 0.00000 0.08203 0.15099 0.00000 0.00000
107 8PX -0.09178 0.00000 0.00000 -0.28916 -0.25273
108 8PY 0.00000 -0.03322 -0.79066 0.00000 0.00000
109 8PZ 0.00000 -0.48824 -1.14323 0.00000 0.00000
110 9PX -0.05979 0.00000 0.00000 -0.23784 -0.20098
111 9PY 0.00000 -1.09674 -0.33436 0.00000 0.00000
112 9PZ 0.00000 -0.09371 -1.03865 0.00000 0.00000
113 10D 0 0.00000 -0.01997 -0.01916 0.00000 0.00000
114 10D+1 -0.02616 0.00000 0.00000 -0.01233 0.01447
115 10D-1 0.00000 -0.01257 0.04204 0.00000 0.00000
116 10D+2 0.00000 0.00443 -0.01297 0.00000 0.00000
117 10D-2 -0.01385 0.00000 0.00000 -0.00771 0.04674
118 11D 0 0.00000 0.12915 0.13174 0.00000 0.00000
119 11D+1 0.14404 0.00000 0.00000 0.07719 -0.08025
120 11D-1 0.00000 0.05760 -0.29015 0.00000 0.00000
121 11D+2 0.00000 -0.01796 0.08120 0.00000 0.00000
122 11D-2 0.07440 0.00000 0.00000 0.03109 -0.27536
123 12D 0 0.00000 -0.47693 -0.67573 0.00000 0.00000
124 12D+1 -0.04569 0.00000 0.00000 -0.12889 -0.00652
125 12D-1 0.00000 0.23185 1.11816 0.00000 0.00000
126 12D+2 0.00000 -0.21490 -0.47544 0.00000 0.00000
127 12D-2 0.11576 0.00000 0.00000 0.32281 0.14895
128 13F 0 0.00000 -0.03764 -0.02438 0.00000 0.00000
129 13F+1 0.05786 0.00000 0.00000 0.01945 0.05456
130 13F-1 0.00000 -0.00353 -0.00456 0.00000 0.00000
131 13F+2 0.00000 0.01728 0.03208 0.00000 0.00000
132 13F-2 0.04724 0.00000 0.00000 0.01866 0.00323
133 13F+3 -0.03440 0.00000 0.00000 -0.03566 0.01552
134 13F-3 0.00000 -0.00296 0.01510 0.00000 0.00000
135 14F 0 0.00000 0.31537 0.21455 0.00000 0.00000
136 14F+1 -0.43014 0.00000 0.00000 -0.14820 -0.43997
137 14F-1 0.00000 0.07036 0.11060 0.00000 0.00000
138 14F+2 0.00000 -0.08308 -0.20061 0.00000 0.00000
139 14F-2 -0.37180 0.00000 0.00000 -0.13137 -0.03090
140 14F+3 0.29009 0.00000 0.00000 0.29536 -0.14657
141 14F-3 0.00000 0.01670 -0.06994 0.00000 0.00000
142 15G 0 0.00000 0.00611 0.00962 0.00000 0.00000
143 15G+1 0.00410 0.00000 0.00000 0.00137 -0.00107
144 15G-1 0.00000 0.00409 -0.00532 0.00000 0.00000
145 15G+2 0.00000 0.00690 0.01374 0.00000 0.00000
146 15G-2 -0.00167 0.00000 0.00000 0.00023 -0.00578
147 15G+3 0.00298 0.00000 0.00000 0.00718 -0.00013
148 15G-3 0.00000 -0.00530 -0.00825 0.00000 0.00000
149 15G+4 0.00000 -0.00386 0.00768 0.00000 0.00000
150 15G-4 -0.00009 0.00000 0.00000 0.00214 -0.00222
151 3 H 1S -0.00181 -0.00104 -0.00117 0.00203 0.00239
152 2S 0.35546 0.20522 0.03728 -0.06458 -0.80426
153 3S -0.38423 -0.22183 -0.41401 0.71709 -1.01876
154 4S -1.95811 -1.13052 0.10468 -0.18131 2.38483
155 5S -0.21884 -0.12635 -0.02159 0.03740 0.40488
156 6PX -0.00352 -0.00322 0.00488 -0.00756 0.01644
157 6PY 0.00322 -0.00020 -0.00192 0.00488 -0.01896
158 6PZ 0.01000 0.00577 0.01311 -0.02271 -0.00317
159 7PX 0.03811 0.02799 -0.03338 0.04834 -0.16656
160 7PY -0.02799 -0.00580 0.00980 -0.03338 0.14997
161 7PZ -0.07104 -0.04102 -0.07549 0.13076 0.04001
162 8PX 0.00197 0.05413 0.21716 -0.66529 0.72097
163 8PY -0.05413 0.06053 -0.41453 0.21716 -0.56216
164 8PZ 0.42283 0.24412 0.57162 -0.99007 -0.53261
165 9PX 0.80761 0.50079 0.04179 -0.31023 -1.42720
166 9PY -0.50079 -0.22934 -0.26197 0.04179 0.70796
167 9PZ 0.08116 0.04686 0.51932 -0.89950 0.00539
168 10D 0 0.01729 0.00998 0.00958 -0.01660 -0.00370
169 10D+1 0.00289 0.01677 -0.02354 0.02844 -0.01383
170 10D-1 -0.01677 0.01648 0.00126 -0.02354 0.01634
171 10D+2 -0.00408 0.01150 -0.00902 0.00228 0.03346
172 10D-2 -0.00678 0.00408 0.00228 -0.01165 -0.01122
173 11D 0 -0.11185 -0.06458 -0.06587 0.11409 0.03507
174 11D+1 -0.00719 -0.08731 0.15906 -0.19832 0.08699
175 11D-1 0.08731 -0.09363 -0.01465 0.15906 -0.09656
176 11D+2 0.02444 -0.06029 0.04362 -0.02170 -0.20789
177 11D-2 0.03207 -0.02444 -0.02170 0.06868 0.08472
178 12D 0 0.41304 0.23847 0.33787 -0.58520 -0.24966
179 12D+1 -0.18531 -0.08061 -0.53999 0.80640 0.09662
180 12D-1 0.08061 0.09223 0.18287 -0.53999 -0.05955
181 12D+2 -0.04293 -0.14054 0.12325 0.34565 0.23738
182 12D-2 0.19011 0.04293 0.34565 -0.27587 -0.26221
183 13F 0 0.03260 0.01882 0.01219 -0.02112 -0.00665
184 13F+1 0.01711 -0.02353 0.01039 0.00144 0.00221
185 13F-1 0.02353 -0.04428 0.01345 0.01039 0.03022
186 13F+2 0.02794 -0.03111 0.02201 -0.00581 0.00456
187 13F-2 -0.00115 -0.02794 -0.00581 0.02872 -0.00466
188 13F+3 0.01720 -0.02979 0.03088 0.01783 -0.00776
189 13F-3 0.00257 0.00148 -0.00755 0.01308 -0.00242
190 14F 0 -0.27312 -0.15768 -0.10728 0.18581 0.09939
191 14F+1 -0.16030 0.15579 -0.11206 0.04590 -0.04393
192 14F-1 -0.15579 0.34020 -0.08350 -0.11206 -0.22865
193 14F+2 -0.19697 0.25808 -0.14868 0.02998 -0.07767
194 14F-2 -0.03064 0.19697 0.02998 -0.18330 0.10363
195 14F+3 -0.14504 0.25122 -0.25579 -0.14768 0.07328
196 14F-3 -0.01446 -0.00835 0.03497 -0.06057 -0.05946
197 15G 0 -0.00529 -0.00305 -0.00481 0.00833 -0.00101
198 15G+1 -0.00205 -0.00355 0.00290 -0.00365 -0.00567
199 15G-1 0.00355 -0.00205 -0.00030 0.00290 0.00265
200 15G+2 0.00227 0.00298 0.00360 -0.00585 -0.00230
201 15G-2 -0.00560 -0.00227 -0.00585 0.01036 -0.00180
202 15G+3 -0.00149 0.00258 -0.00622 -0.00359 0.00006
203 15G-3 0.00459 0.00265 0.00413 -0.00715 -0.00579
204 15G+4 -0.00163 -0.00103 0.00031 -0.00425 0.00313
205 15G-4 -0.00292 -0.00163 0.00425 -0.00523 0.00321
206 4 H 1S 0.00181 -0.00104 -0.00117 -0.00203 -0.00239
207 2S -0.35546 0.20522 0.03728 0.06458 0.80426
208 3S 0.38423 -0.22183 -0.41401 -0.71709 1.01876
209 4S 1.95811 -1.13052 0.10468 0.18131 -2.38483
210 5S 0.21884 -0.12635 -0.02159 -0.03740 -0.40488
211 6PX -0.00352 0.00322 -0.00488 -0.00756 0.01644
212 6PY -0.00322 -0.00020 -0.00192 -0.00488 0.01896
213 6PZ -0.01000 0.00577 0.01311 0.02271 0.00317
214 7PX 0.03811 -0.02799 0.03338 0.04834 -0.16656
215 7PY 0.02799 -0.00580 0.00980 0.03338 -0.14997
216 7PZ 0.07104 -0.04102 -0.07549 -0.13076 -0.04001
217 8PX 0.00197 -0.05413 -0.21716 -0.66529 0.72097
218 8PY 0.05413 0.06053 -0.41453 -0.21716 0.56216
219 8PZ -0.42283 0.24412 0.57162 0.99007 0.53261
220 9PX 0.80761 -0.50079 -0.04179 -0.31023 -1.42720
221 9PY 0.50079 -0.22934 -0.26197 -0.04179 -0.70796
222 9PZ -0.08116 0.04686 0.51932 0.89950 -0.00539
223 10D 0 -0.01729 0.00998 0.00958 0.01660 0.00370
224 10D+1 0.00289 -0.01677 0.02354 0.02844 -0.01383
225 10D-1 0.01677 0.01648 0.00126 0.02354 -0.01634
226 10D+2 0.00408 0.01150 -0.00902 -0.00228 -0.03346
227 10D-2 -0.00678 -0.00408 -0.00228 -0.01165 -0.01122
228 11D 0 0.11185 -0.06458 -0.06587 -0.11409 -0.03507
229 11D+1 -0.00719 0.08731 -0.15906 -0.19832 0.08699
230 11D-1 -0.08731 -0.09363 -0.01465 -0.15906 0.09656
231 11D+2 -0.02444 -0.06029 0.04362 0.02170 0.20789
232 11D-2 0.03207 0.02444 0.02170 0.06868 0.08472
233 12D 0 -0.41304 0.23847 0.33787 0.58520 0.24966
234 12D+1 -0.18531 0.08061 0.53999 0.80640 0.09662
235 12D-1 -0.08061 0.09223 0.18287 0.53999 0.05955
236 12D+2 0.04293 -0.14054 0.12325 -0.34565 -0.23738
237 12D-2 0.19011 -0.04293 -0.34565 -0.27587 -0.26221
238 13F 0 -0.03260 0.01882 0.01219 0.02112 0.00665
239 13F+1 0.01711 0.02353 -0.01039 0.00144 0.00221
240 13F-1 -0.02353 -0.04428 0.01345 -0.01039 -0.03022
241 13F+2 -0.02794 -0.03111 0.02201 0.00581 -0.00456
242 13F-2 -0.00115 0.02794 0.00581 0.02872 -0.00466
243 13F+3 0.01720 0.02979 -0.03088 0.01783 -0.00776
244 13F-3 -0.00257 0.00148 -0.00755 -0.01308 0.00242
245 14F 0 0.27312 -0.15768 -0.10728 -0.18581 -0.09939
246 14F+1 -0.16030 -0.15579 0.11206 0.04590 -0.04393
247 14F-1 0.15579 0.34020 -0.08350 0.11206 0.22865
248 14F+2 0.19697 0.25808 -0.14868 -0.02998 0.07767
249 14F-2 -0.03064 -0.19697 -0.02998 -0.18330 0.10363
250 14F+3 -0.14504 -0.25122 0.25579 -0.14768 0.07328
251 14F-3 0.01446 -0.00835 0.03497 0.06057 0.05946
252 15G 0 0.00529 -0.00305 -0.00481 -0.00833 0.00101
253 15G+1 -0.00205 0.00355 -0.00290 -0.00365 -0.00567
254 15G-1 -0.00355 -0.00205 -0.00030 -0.00290 -0.00265
255 15G+2 -0.00227 0.00298 0.00360 0.00585 0.00230
256 15G-2 -0.00560 0.00227 0.00585 0.01036 -0.00180
257 15G+3 -0.00149 -0.00258 0.00622 -0.00359 0.00006
258 15G-3 -0.00459 0.00265 0.00413 0.00715 0.00579
259 15G+4 0.00163 -0.00103 0.00031 0.00425 -0.00313
260 15G-4 -0.00292 0.00163 -0.00425 -0.00523 0.00321
131 132 133 134 135
(E)--V (A1)--V (E)--V (E)--V (E)--V
Eigenvalues -- 4.35230 4.40835 4.49860 4.49860 4.76705
1 1 Si 1S 0.00000 -0.00503 0.00000 0.00000 0.00000
2 2S 0.00000 0.00260 0.00000 0.00000 0.00000
3 3S 0.00000 -0.05360 0.00000 0.00000 0.00000
4 4S 0.00000 0.05997 0.00000 0.00000 0.00000
5 5S 0.00000 -1.91975 0.00000 0.00000 0.00000
6 6S 0.00000 3.20062 0.00000 0.00000 0.00000
7 7S 0.00000 -0.27973 0.00000 0.00000 0.00000
8 8PX 0.00000 0.00000 0.02064 0.00000 0.00928
9 8PY 0.05318 0.00000 0.00000 -0.02064 0.00000
10 8PZ 0.00000 -0.06707 0.00000 0.00000 0.00000
11 9PX 0.00000 0.00000 -0.17926 0.00000 0.43519
12 9PY -0.27510 0.00000 0.00000 0.17926 0.00000
13 9PZ 0.00000 0.45001 0.00000 0.00000 0.00000
14 10PX 0.00000 0.00000 -0.75317 0.00000 2.41715
15 10PY -1.05269 0.00000 0.00000 0.75317 0.00000
16 10PZ 0.00000 1.71388 0.00000 0.00000 0.00000
17 11PX 0.00000 0.00000 1.83074 0.00000 -8.70039
18 11PY 0.75541 0.00000 0.00000 -1.83074 0.00000
19 11PZ 0.00000 -2.27815 0.00000 0.00000 0.00000
20 12PX 0.00000 0.00000 4.70525 0.00000 -10.46253
21 12PY -1.15226 0.00000 0.00000 -4.70525 0.00000
22 12PZ 0.00000 -2.26110 0.00000 0.00000 0.00000
23 13PX 0.00000 0.00000 0.08308 0.00000 -0.16768
24 13PY -0.39397 0.00000 0.00000 -0.08308 0.00000
25 13PZ 0.00000 0.23309 0.00000 0.00000 0.00000
26 14D 0 0.00000 0.10829 0.00000 0.00000 0.00000
27 14D+1 0.00000 0.00000 -1.11481 0.00000 1.68255
28 14D-1 0.50348 0.00000 0.00000 1.11481 0.00000
29 14D+2 0.71181 0.00000 0.00000 0.88874 0.00000
30 14D-2 0.00000 0.00000 -0.88874 0.00000 3.56758
31 15D 0 0.00000 1.09571 0.00000 0.00000 0.00000
32 15D+1 0.00000 0.00000 -1.41915 0.00000 1.96654
33 15D-1 0.01231 0.00000 0.00000 1.41915 0.00000
34 15D+2 -0.89649 0.00000 0.00000 -2.08405 0.00000
35 15D-2 0.00000 0.00000 2.08405 0.00000 8.94198
36 16D 0 0.00000 -0.16819 0.00000 0.00000 0.00000
37 16D+1 0.00000 0.00000 0.20845 0.00000 0.25323
38 16D-1 0.07674 0.00000 0.00000 -0.20845 0.00000
39 16D+2 0.20801 0.00000 0.00000 0.54300 0.00000
40 16D-2 0.00000 0.00000 -0.54300 0.00000 -0.60522
41 17D 0 0.00000 -0.04287 0.00000 0.00000 0.00000
42 17D+1 0.00000 0.00000 0.08558 0.00000 0.02970
43 17D-1 0.09548 0.00000 0.00000 -0.08558 0.00000
44 17D+2 -0.03424 0.00000 0.00000 0.13456 0.00000
45 17D-2 0.00000 0.00000 -0.13456 0.00000 0.25524
46 18F 0 0.00000 0.31298 0.00000 0.00000 0.00000
47 18F+1 0.00000 0.00000 -0.23708 0.00000 0.56667
48 18F-1 -0.06801 0.00000 0.00000 0.23708 0.00000
49 18F+2 -0.42619 0.00000 0.00000 -0.50517 0.00000
50 18F-2 0.00000 0.00000 0.50517 0.00000 -0.94524
51 18F+3 0.00000 0.00000 0.00000 0.00000 0.00000
52 18F-3 0.00000 -0.36238 0.00000 0.00000 0.00000
53 19F 0 0.00000 1.68768 0.00000 0.00000 0.00000
54 19F+1 0.00000 0.00000 0.30789 0.00000 1.18875
55 19F-1 -0.86799 0.00000 0.00000 -0.30789 0.00000
56 19F+2 0.61049 0.00000 0.00000 1.25606 0.00000
57 19F-2 0.00000 0.00000 -1.25606 0.00000 -1.32131
58 19F+3 0.00000 0.00000 0.00000 0.00000 0.00000
59 19F-3 0.00000 0.18737 0.00000 0.00000 0.00000
60 20F 0 0.00000 -0.33179 0.00000 0.00000 0.00000
61 20F+1 0.00000 0.00000 -0.15963 0.00000 0.46800
62 20F-1 0.06865 0.00000 0.00000 0.15963 0.00000
63 20F+2 -0.09947 0.00000 0.00000 -0.27420 0.00000
64 20F-2 0.00000 0.00000 0.27420 0.00000 -1.02177
65 20F+3 0.00000 0.00000 0.00000 0.00000 0.00000
66 20F-3 0.00000 0.08538 0.00000 0.00000 0.00000
67 21G 0 0.00000 -0.81463 0.00000 0.00000 0.00000
68 21G+1 0.00000 0.00000 0.21740 0.00000 -0.15855
69 21G-1 0.35671 0.00000 0.00000 -0.21740 0.00000
70 21G+2 0.46840 0.00000 0.00000 0.46387 0.00000
71 21G-2 0.00000 0.00000 -0.46387 0.00000 -0.52413
72 21G+3 0.00000 0.00000 0.00000 0.00000 0.00000
73 21G-3 0.00000 1.44227 0.00000 0.00000 0.00000
74 21G+4 0.84680 0.00000 0.00000 -0.85310 0.00000
75 21G-4 0.00000 0.00000 -0.85310 0.00000 0.02949
76 22G 0 0.00000 -0.25961 0.00000 0.00000 0.00000
77 22G+1 0.00000 0.00000 -0.12376 0.00000 -0.19634
78 22G-1 0.09658 0.00000 0.00000 0.12376 0.00000
79 22G+2 -0.05238 0.00000 0.00000 -0.12050 0.00000
80 22G-2 0.00000 0.00000 0.12050 0.00000 -0.31128
81 22G+3 0.00000 0.00000 0.00000 0.00000 0.00000
82 22G-3 0.00000 -0.00699 0.00000 0.00000 0.00000
83 22G+4 0.15951 0.00000 0.00000 -0.08804 0.00000
84 22G-4 0.00000 0.00000 -0.08804 0.00000 0.20497
85 23H 0 0.00000 -0.27904 0.00000 0.00000 0.00000
86 23H+1 0.00000 0.00000 -0.04754 0.00000 -0.35719
87 23H-1 0.17984 0.00000 0.00000 0.04754 0.00000
88 23H+2 -0.70541 0.00000 0.00000 -0.60079 0.00000
89 23H-2 0.00000 0.00000 0.60079 0.00000 0.33965
90 23H+3 0.00000 0.00000 0.00000 0.00000 0.00000
91 23H-3 0.00000 -1.14639 0.00000 0.00000 0.00000
92 23H+4 -0.57322 0.00000 0.00000 0.74979 0.00000
93 23H-4 0.00000 0.00000 0.74979 0.00000 0.47852
94 23H+5 0.00000 0.00000 0.97585 0.00000 0.83530
95 23H-5 0.27157 0.00000 0.00000 0.97585 0.00000
96 2 H 1S 0.00276 -0.00244 0.00000 0.00544 0.00000
97 2S -0.92868 -0.05396 0.00000 -0.37620 0.00000
98 3S -1.17636 -1.11495 0.00000 -0.25216 0.00000
99 4S 2.75377 -0.28742 0.00000 4.73309 0.00000
100 5S 0.46752 0.11178 0.00000 0.09192 0.00000
101 6PX 0.00000 0.00000 -0.03817 0.00000 0.01140
102 6PY 0.02739 0.01268 0.00000 -0.00214 0.00000
103 6PZ -0.00366 0.02092 0.00000 -0.01339 0.00000
104 7PX 0.00000 0.00000 0.24763 0.00000 -0.06885
105 7PY -0.25315 -0.09081 0.00000 -0.01177 0.00000
106 7PZ 0.04620 -0.12512 0.00000 0.10037 0.00000
107 8PX 0.00000 0.00000 -1.55970 0.00000 -0.90396
108 8PY 1.04554 0.67025 0.00000 0.20694 0.00000
109 8PZ -0.61501 0.94983 0.00000 -0.41212 0.00000
110 9PX 0.00000 0.00000 -1.11189 0.00000 -1.45026
111 9PY -1.83595 0.14127 0.00000 -1.88364 0.00000
112 9PZ 0.00622 0.96416 0.00000 0.30435 0.00000
113 10D 0 -0.00427 0.00308 0.00000 -0.01893 0.00000
114 10D+1 0.00000 0.00000 -0.01556 0.00000 -0.03952
115 10D-1 -0.02327 -0.03299 0.00000 -0.00098 0.00000
116 10D+2 -0.03053 0.00932 0.00000 -0.00893 0.00000
117 10D-2 0.00000 0.00000 0.04329 0.00000 -0.03811
118 11D 0 0.04049 -0.04187 0.00000 0.12522 0.00000
119 11D+1 0.00000 0.00000 0.11036 0.00000 0.24618
120 11D-1 0.14274 0.22982 0.00000 0.01734 0.00000
121 11D+2 0.20475 -0.06048 0.00000 0.08374 0.00000
122 11D-2 0.00000 0.00000 -0.31325 0.00000 0.18202
123 12D 0 -0.28828 0.55058 0.00000 -0.24493 0.00000
124 12D+1 0.00000 0.00000 -0.46579 0.00000 -0.46252
125 12D-1 0.13100 -0.94091 0.00000 0.01897 0.00000
126 12D+2 -0.39927 0.22960 0.00000 -0.43602 0.00000
127 12D-2 0.00000 0.00000 1.45680 0.00000 1.35827
128 13F 0 -0.00768 -0.03458 0.00000 0.02701 0.00000
129 13F+1 0.00000 0.00000 -0.02074 0.00000 -0.02650
130 13F-1 -0.01524 0.00414 0.00000 0.02167 0.00000
131 13F+2 -0.00730 0.01778 0.00000 -0.01670 0.00000
132 13F-2 0.00000 0.00000 0.01787 0.00000 0.00029
133 13F+3 0.00000 0.00000 0.00051 0.00000 -0.06347
134 13F-3 -0.00279 -0.00730 0.00000 -0.00835 0.00000
135 14F 0 0.11476 0.26222 0.00000 -0.18144 0.00000
136 14F+1 0.00000 0.00000 0.19746 0.00000 0.25157
137 14F-1 0.08808 -0.12008 0.00000 -0.13844 0.00000
138 14F+2 0.14848 -0.17943 0.00000 0.17144 0.00000
139 14F-2 0.00000 0.00000 -0.06716 0.00000 0.06624
140 14F+3 0.00000 0.00000 0.15596 0.00000 0.68263
141 14F-3 -0.06866 0.02391 0.00000 0.06246 0.00000
142 15G 0 -0.00117 -0.00868 0.00000 0.00635 0.00000
143 15G+1 0.00000 0.00000 0.00516 0.00000 0.00364
144 15G-1 -0.00720 0.00310 0.00000 -0.00028 0.00000
145 15G+2 -0.00048 -0.01345 0.00000 0.00364 0.00000
146 15G-2 0.00000 0.00000 -0.00218 0.00000 0.00255
147 15G+3 0.00000 0.00000 0.01419 0.00000 0.01054
148 15G-3 -0.00668 0.00400 0.00000 0.00057 0.00000
149 15G+4 -0.00501 -0.00418 0.00000 0.00159 0.00000
150 15G-4 0.00000 0.00000 -0.02086 0.00000 -0.01039
151 3 H 1S -0.00138 -0.00244 -0.00471 -0.00272 0.03949
152 2S 0.46434 -0.05396 0.32580 0.18810 -1.46169
153 3S 0.58818 -1.11495 0.21838 0.12608 5.21237
154 4S -1.37688 -0.28742 -4.09897 -2.36654 11.35611
155 5S -0.23376 0.11178 -0.07960 -0.04596 0.24674
156 6PX -0.01896 0.01098 -0.00794 0.01745 -0.01431
157 6PY -0.00545 -0.00634 -0.01745 0.02809 0.01485
158 6PZ 0.00183 0.02092 0.01159 0.00669 0.00967
159 7PX 0.14997 -0.07864 0.07074 -0.10213 0.10180
160 7PY 0.00661 0.04540 0.10213 -0.18866 -0.09852
161 7PZ -0.02310 -0.12512 -0.08693 -0.05019 -0.06784
162 8PX -0.56216 0.58046 -0.54513 0.58576 -2.29184
163 8PY 0.07184 -0.33513 -0.58576 1.22151 0.80129
164 8PZ 0.30750 0.94983 0.35690 0.20606 1.34641
165 9PX 0.70796 0.12234 1.13476 1.29710 -4.73786
166 9PY -0.60972 -0.07064 -1.29710 0.36301 1.89809
167 9PZ -0.00311 0.96416 -0.26357 -0.15217 2.33091
168 10D 0 0.00213 0.00308 0.01640 0.00947 -0.00765
169 10D+1 0.01634 -0.02857 -0.00315 0.00716 -0.01503
170 10D-1 0.00503 0.01649 -0.00716 0.01142 -0.01414
171 10D+2 0.02742 -0.00466 0.01488 -0.03470 -0.02053
172 10D-2 0.03346 0.00807 0.01752 -0.01488 -0.00256
173 11D 0 -0.02025 -0.04187 -0.10845 -0.06261 0.04751
174 11D+1 -0.09656 0.19903 0.01459 -0.05530 0.14910
175 11D-1 -0.02451 -0.11491 0.05530 -0.07843 0.05605
176 11D+2 -0.15533 0.03024 -0.09938 0.25587 0.07741
177 11D-2 -0.20789 -0.05238 -0.14111 0.09938 0.04795
178 12D 0 0.14414 0.55058 0.21212 0.12247 -0.35088
179 12D+1 -0.05955 -0.81485 -0.13068 0.19348 -1.56515
180 12D-1 0.02786 0.47046 -0.19348 0.35409 0.63660
181 12D+2 0.01189 -0.11480 0.44201 -1.20160 1.32617
182 12D-2 0.23738 0.19884 0.69121 -0.44201 -0.93872
183 13F 0 0.00384 -0.03458 -0.02339 -0.01350 0.01034
184 13F+1 0.03022 0.00358 -0.02144 -0.00040 -0.00189
185 13F-1 0.03711 -0.00207 0.00040 0.02097 -0.01421
186 13F+2 0.00060 -0.00889 0.00050 -0.01758 -0.01750
187 13F-2 0.00456 0.01540 0.01699 -0.00050 0.03061
188 13F+3 -0.01344 0.00000 -0.00026 0.00044 0.03173
189 13F-3 0.00140 -0.00730 0.00723 0.00417 -0.03207
190 14F 0 -0.05738 0.26222 0.15713 0.09072 -0.18042
191 14F+1 -0.22865 -0.10400 0.15320 -0.02556 0.00875
192 14F-1 -0.30795 0.06004 0.02556 -0.18271 0.14019
193 14F+2 0.01395 0.08972 0.04515 0.09323 0.24257
194 14F-2 -0.07767 -0.15539 -0.14537 -0.04515 -0.35390
195 14F+3 0.12693 0.00000 -0.07798 0.13506 -0.34132
196 14F-3 0.03433 0.02391 -0.05409 -0.03123 0.37881
197 15G 0 0.00058 -0.00868 -0.00550 -0.00317 -0.00734
198 15G+1 0.00265 0.00269 0.00150 -0.00211 0.00768
199 15G-1 -0.00260 -0.00155 0.00211 -0.00394 -0.00233
200 15G+2 -0.00446 0.00672 0.00063 0.00255 0.00381
201 15G-2 -0.00230 -0.01164 -0.00328 -0.00063 -0.00406
202 15G+3 0.00011 0.00000 -0.00710 0.01229 -0.00527
203 15G-3 0.00334 0.00400 -0.00049 -0.00028 0.01274
204 15G+4 0.00041 0.00209 0.00972 -0.01525 0.00092
205 15G-4 -0.00313 0.00362 -0.00402 0.00972 -0.00879
206 4 H 1S -0.00138 -0.00244 0.00471 -0.00272 -0.03949
207 2S 0.46434 -0.05396 -0.32580 0.18810 1.46169
208 3S 0.58818 -1.11495 -0.21838 0.12608 -5.21237
209 4S -1.37688 -0.28742 4.09897 -2.36654 -11.35611
210 5S -0.23376 0.11178 0.07960 -0.04596 -0.24674
211 6PX 0.01896 -0.01098 -0.00794 -0.01745 -0.01431
212 6PY -0.00545 -0.00634 0.01745 0.02809 -0.01485
213 6PZ 0.00183 0.02092 -0.01159 0.00669 -0.00967
214 7PX -0.14997 0.07864 0.07074 0.10213 0.10180
215 7PY 0.00661 0.04540 -0.10213 -0.18866 0.09852
216 7PZ -0.02310 -0.12512 0.08693 -0.05019 0.06784
217 8PX 0.56216 -0.58046 -0.54513 -0.58576 -2.29184
218 8PY 0.07184 -0.33513 0.58576 1.22151 -0.80129
219 8PZ 0.30750 0.94983 -0.35690 0.20606 -1.34641
220 9PX -0.70796 -0.12234 1.13476 -1.29710 -4.73786
221 9PY -0.60972 -0.07064 1.29710 0.36301 -1.89809
222 9PZ -0.00311 0.96416 0.26357 -0.15217 -2.33091
223 10D 0 0.00213 0.00308 -0.01640 0.00947 0.00765
224 10D+1 -0.01634 0.02857 -0.00315 -0.00716 -0.01503
225 10D-1 0.00503 0.01649 0.00716 0.01142 0.01414
226 10D+2 0.02742 -0.00466 -0.01488 -0.03470 0.02053
227 10D-2 -0.03346 -0.00807 0.01752 0.01488 -0.00256
228 11D 0 -0.02025 -0.04187 0.10845 -0.06261 -0.04751
229 11D+1 0.09656 -0.19903 0.01459 0.05530 0.14910
230 11D-1 -0.02451 -0.11491 -0.05530 -0.07843 -0.05605
231 11D+2 -0.15533 0.03024 0.09938 0.25587 -0.07741
232 11D-2 0.20789 0.05238 -0.14111 -0.09938 0.04795
233 12D 0 0.14414 0.55058 -0.21212 0.12247 0.35088
234 12D+1 0.05955 0.81485 -0.13068 -0.19348 -1.56515
235 12D-1 0.02786 0.47046 0.19348 0.35409 -0.63660
236 12D+2 0.01189 -0.11480 -0.44201 -1.20160 -1.32617
237 12D-2 -0.23738 -0.19884 0.69121 0.44201 -0.93872
238 13F 0 0.00384 -0.03458 0.02339 -0.01350 -0.01034
239 13F+1 -0.03022 -0.00358 -0.02144 0.00040 -0.00189
240 13F-1 0.03711 -0.00207 -0.00040 0.02097 0.01421
241 13F+2 0.00060 -0.00889 -0.00050 -0.01758 0.01750
242 13F-2 -0.00456 -0.01540 0.01699 0.00050 0.03061
243 13F+3 0.01344 0.00000 -0.00026 -0.00044 0.03173
244 13F-3 0.00140 -0.00730 -0.00723 0.00417 0.03207
245 14F 0 -0.05738 0.26222 -0.15713 0.09072 0.18042
246 14F+1 0.22865 0.10400 0.15320 0.02556 0.00875
247 14F-1 -0.30795 0.06004 -0.02556 -0.18271 -0.14019
248 14F+2 0.01395 0.08972 -0.04515 0.09323 -0.24257
249 14F-2 0.07767 0.15539 -0.14537 0.04515 -0.35390
250 14F+3 -0.12693 0.00000 -0.07798 -0.13506 -0.34132
251 14F-3 0.03433 0.02391 0.05409 -0.03123 -0.37881
252 15G 0 0.00058 -0.00868 0.00550 -0.00317 0.00734
253 15G+1 -0.00265 -0.00269 0.00150 0.00211 0.00768
254 15G-1 -0.00260 -0.00155 -0.00211 -0.00394 0.00233
255 15G+2 -0.00446 0.00672 -0.00063 0.00255 -0.00381
256 15G-2 0.00230 0.01164 -0.00328 0.00063 -0.00406
257 15G+3 -0.00011 0.00000 -0.00710 -0.01229 -0.00527
258 15G-3 0.00334 0.00400 0.00049 -0.00028 -0.01274
259 15G+4 0.00041 0.00209 -0.00972 -0.01525 -0.00092
260 15G-4 0.00313 -0.00362 -0.00402 -0.00972 -0.00879
136 137 138 139 140
(E)--V (A1)--V (E)--V (E)--V (A1)--V
Eigenvalues -- 4.76705 4.84714 4.95262 4.95262 4.99740
1 1 Si 1S 0.00000 -0.01066 0.00000 0.00000 0.08865
2 2S 0.00000 0.00494 0.00000 0.00000 -0.08693
3 3S 0.00000 -0.11886 0.00000 0.00000 0.87856
4 4S 0.00000 -0.16350 0.00000 0.00000 -0.04248
5 5S 0.00000 -0.38740 0.00000 0.00000 3.36433
6 6S 0.00000 2.28768 0.00000 0.00000 6.16252
7 7S 0.00000 0.24023 0.00000 0.00000 2.23467
8 8PX 0.00000 0.00000 0.05464 0.00000 0.00000
9 8PY 0.00928 0.00000 0.00000 -0.05464 0.00000
10 8PZ 0.00000 -0.02902 0.00000 0.00000 0.06141
11 9PX 0.00000 0.00000 -0.66763 0.00000 0.00000
12 9PY 0.43519 0.00000 0.00000 0.66763 0.00000
13 9PZ 0.00000 0.07713 0.00000 0.00000 -0.19250
14 10PX 0.00000 0.00000 -3.29418 0.00000 0.00000
15 10PY 2.41715 0.00000 0.00000 3.29418 0.00000
16 10PZ 0.00000 0.30911 0.00000 0.00000 -0.46818
17 11PX 0.00000 0.00000 8.77491 0.00000 0.00000
18 11PY -8.70039 0.00000 0.00000 -8.77491 0.00000
19 11PZ 0.00000 -0.38374 0.00000 0.00000 -1.29709
20 12PX 0.00000 0.00000 7.78829 0.00000 0.00000
21 12PY -10.46253 0.00000 0.00000 -7.78829 0.00000
22 12PZ 0.00000 -1.02968 0.00000 0.00000 -1.57379
23 13PX 0.00000 0.00000 -0.18263 0.00000 0.00000
24 13PY -0.16768 0.00000 0.00000 0.18263 0.00000
25 13PZ 0.00000 0.07935 0.00000 0.00000 -0.19824
26 14D 0 0.00000 -0.08382 0.00000 0.00000 -0.66750
27 14D+1 0.00000 0.00000 -1.47974 0.00000 0.00000
28 14D-1 1.68255 0.00000 0.00000 1.47974 0.00000
29 14D+2 3.56758 0.00000 0.00000 1.74190 0.00000
30 14D-2 0.00000 0.00000 -1.74190 0.00000 0.00000
31 15D 0 0.00000 0.73266 0.00000 0.00000 -0.86591
32 15D+1 0.00000 0.00000 -5.77159 0.00000 0.00000
33 15D-1 1.96654 0.00000 0.00000 5.77159 0.00000
34 15D+2 8.94198 0.00000 0.00000 4.77588 0.00000
35 15D-2 0.00000 0.00000 -4.77588 0.00000 0.00000
36 16D 0 0.00000 -0.16622 0.00000 0.00000 -0.42407
37 16D+1 0.00000 0.00000 0.63453 0.00000 0.00000
38 16D-1 0.25323 0.00000 0.00000 -0.63453 0.00000
39 16D+2 -0.60522 0.00000 0.00000 -0.25052 0.00000
40 16D-2 0.00000 0.00000 0.25052 0.00000 0.00000
41 17D 0 0.00000 -0.07429 0.00000 0.00000 -0.18504
42 17D+1 0.00000 0.00000 -0.23970 0.00000 0.00000
43 17D-1 0.02970 0.00000 0.00000 0.23970 0.00000
44 17D+2 0.25524 0.00000 0.00000 -0.01299 0.00000
45 17D-2 0.00000 0.00000 0.01299 0.00000 0.00000
46 18F 0 0.00000 0.25436 0.00000 0.00000 0.36204
47 18F+1 0.00000 0.00000 -0.07880 0.00000 0.00000
48 18F-1 0.56667 0.00000 0.00000 0.07880 0.00000
49 18F+2 -0.94524 0.00000 0.00000 -0.70431 0.00000
50 18F-2 0.00000 0.00000 0.70431 0.00000 0.00000
51 18F+3 0.00000 0.00000 0.00000 0.00000 0.00000
52 18F-3 0.00000 0.03303 0.00000 0.00000 -0.56128
53 19F 0 0.00000 -0.40395 0.00000 0.00000 -0.09189
54 19F+1 0.00000 0.00000 0.16031 0.00000 0.00000
55 19F-1 1.18875 0.00000 0.00000 -0.16031 0.00000
56 19F+2 -1.32131 0.00000 0.00000 -1.47554 0.00000
57 19F-2 0.00000 0.00000 1.47554 0.00000 0.00000
58 19F+3 0.00000 0.00000 0.00000 0.00000 0.00000
59 19F-3 0.00000 -0.43791 0.00000 0.00000 0.43161
60 20F 0 0.00000 -0.10517 0.00000 0.00000 0.64473
61 20F+1 0.00000 0.00000 0.17152 0.00000 0.00000
62 20F-1 0.46800 0.00000 0.00000 -0.17152 0.00000
63 20F+2 -1.02177 0.00000 0.00000 -0.82712 0.00000
64 20F-2 0.00000 0.00000 0.82712 0.00000 0.00000
65 20F+3 0.00000 0.00000 0.00000 0.00000 0.00000
66 20F-3 0.00000 -0.07415 0.00000 0.00000 -1.22758
67 21G 0 0.00000 -0.40794 0.00000 0.00000 0.00898
68 21G+1 0.00000 0.00000 0.50134 0.00000 0.00000
69 21G-1 -0.15855 0.00000 0.00000 -0.50134 0.00000
70 21G+2 -0.52413 0.00000 0.00000 0.04753 0.00000
71 21G-2 0.00000 0.00000 -0.04753 0.00000 0.00000
72 21G+3 0.00000 0.00000 0.00000 0.00000 0.00000
73 21G-3 0.00000 0.26611 0.00000 0.00000 0.09864
74 21G+4 -0.02949 0.00000 0.00000 -0.57338 0.00000
75 21G-4 0.00000 0.00000 -0.57338 0.00000 0.00000
76 22G 0 0.00000 -0.03141 0.00000 0.00000 0.10098
77 22G+1 0.00000 0.00000 0.83021 0.00000 0.00000
78 22G-1 -0.19634 0.00000 0.00000 -0.83021 0.00000
79 22G+2 -0.31128 0.00000 0.00000 0.20325 0.00000
80 22G-2 0.00000 0.00000 -0.20325 0.00000 0.00000
81 22G+3 0.00000 0.00000 0.00000 0.00000 0.00000
82 22G-3 0.00000 -0.14221 0.00000 0.00000 0.30335
83 22G+4 -0.20497 0.00000 0.00000 -0.26477 0.00000
84 22G-4 0.00000 0.00000 -0.26477 0.00000 0.00000
85 23H 0 0.00000 0.79556 0.00000 0.00000 -0.22881
86 23H+1 0.00000 0.00000 -0.56393 0.00000 0.00000
87 23H-1 -0.35719 0.00000 0.00000 0.56393 0.00000
88 23H+2 0.33965 0.00000 0.00000 0.27722 0.00000
89 23H-2 0.00000 0.00000 -0.27722 0.00000 0.00000
90 23H+3 0.00000 0.00000 0.00000 0.00000 0.00000
91 23H-3 0.00000 -0.39950 0.00000 0.00000 0.02815
92 23H+4 -0.47852 0.00000 0.00000 0.79005 0.00000
93 23H-4 0.00000 0.00000 0.79005 0.00000 0.00000
94 23H+5 0.00000 0.00000 -0.42062 0.00000 0.00000
95 23H-5 -0.83530 0.00000 0.00000 -0.42062 0.00000
96 2 H 1S 0.04560 -0.00537 0.00000 0.03561 -0.01187
97 2S -1.68782 0.23401 0.00000 -0.81618 0.57056
98 3S 6.01873 -0.18713 0.00000 5.35669 -1.03983
99 4S 13.11290 -0.83886 0.00000 9.08629 -3.30800
100 5S 0.28491 -0.04249 0.00000 -0.21141 -0.46858
101 6PX 0.00000 0.00000 0.00090 0.00000 0.00000
102 6PY -0.02289 0.00444 0.00000 -0.04688 -0.01179
103 6PZ 0.01116 0.02112 0.00000 0.04903 0.00756
104 7PX 0.00000 0.00000 -0.00389 0.00000 0.00000
105 7PY 0.15868 -0.00398 0.00000 0.38773 0.09364
106 7PZ -0.07834 -0.14957 0.00000 -0.36066 -0.05299
107 8PX 0.00000 0.00000 -0.14069 0.00000 0.00000
108 8PY -2.75447 -0.01216 0.00000 -3.36318 0.47323
109 8PZ 1.55471 0.35541 0.00000 0.54232 -0.12632
110 9PX 0.00000 0.00000 -0.27400 0.00000 0.00000
111 9PY -5.83372 0.52772 0.00000 -4.42170 1.98338
112 9PZ 2.69151 0.06492 0.00000 0.06816 -0.61982
113 10D 0 -0.00884 0.05001 0.00000 0.03808 0.01198
114 10D+1 0.00000 0.00000 -0.03613 0.00000 0.00000
115 10D-1 -0.00687 -0.00074 0.00000 0.00380 -0.01279
116 10D+2 0.00930 -0.00596 0.00000 -0.01548 -0.01769
117 10D-2 0.00000 0.00000 -0.01052 0.00000 0.00000
118 11D 0 0.05487 -0.30263 0.00000 -0.18003 -0.09499
119 11D+1 0.00000 0.00000 0.20862 0.00000 0.00000
120 11D-1 0.11674 0.01619 0.00000 -0.02989 0.05105
121 11D+2 0.00326 0.01185 0.00000 0.16826 0.06914
122 11D-2 0.00000 0.00000 0.03645 0.00000 0.00000
123 12D 0 -0.40516 -0.07044 0.00000 -1.17443 0.53474
124 12D+1 0.00000 0.00000 0.13542 0.00000 0.00000
125 12D-1 -1.93269 -0.23771 0.00000 0.19334 0.58316
126 12D+2 -1.70439 0.29644 0.00000 -1.97619 0.82787
127 12D-2 0.00000 0.00000 0.31225 0.00000 0.00000
128 13F 0 0.01194 0.03402 0.00000 -0.02981 -0.04304
129 13F+1 0.00000 0.00000 -0.02968 0.00000 0.00000
130 13F-1 0.00632 -0.05417 0.00000 -0.06046 0.02821
131 13F+2 0.04071 0.00995 0.00000 -0.02991 -0.04622
132 13F-2 0.00000 0.00000 0.03696 0.00000 0.00000
133 13F+3 0.00000 0.00000 -0.02349 0.00000 0.00000
134 13F-3 -0.03703 0.04363 0.00000 -0.02482 0.05788
135 14F 0 -0.20834 -0.33662 0.00000 0.18831 0.41028
136 14F+1 0.00000 0.00000 0.27090 0.00000 0.00000
137 14F-1 -0.07219 0.47514 0.00000 0.66596 -0.26805
138 14F+2 -0.49395 -0.12261 0.00000 0.15598 0.43538
139 14F-2 0.00000 0.00000 -0.34905 0.00000 0.00000
140 14F+3 0.00000 0.00000 0.25018 0.00000 0.00000
141 14F-3 0.43741 -0.38885 0.00000 0.43150 -0.54772
142 15G 0 -0.00847 -0.00465 0.00000 0.00539 -0.00070
143 15G+1 0.00000 0.00000 -0.00082 0.00000 0.00000
144 15G-1 0.00902 0.00195 0.00000 0.01111 -0.00024
145 15G+2 -0.00626 -0.00089 0.00000 0.00950 -0.00074
146 15G-2 0.00000 0.00000 -0.00305 0.00000 0.00000
147 15G+3 0.00000 0.00000 0.00029 0.00000 0.00000
148 15G-3 0.01471 0.00234 0.00000 0.00835 -0.00052
149 15G+4 0.00826 -0.00024 0.00000 0.02188 0.00340
150 15G-4 0.00000 0.00000 -0.01021 0.00000 0.00000
151 3 H 1S -0.02280 -0.00537 -0.03084 -0.01781 -0.01187
152 2S 0.84391 0.23401 0.70684 0.40809 0.57056
153 3S -3.00936 -0.18713 -4.63903 -2.67835 -1.03983
154 4S -6.55645 -0.83886 -7.86896 -4.54315 -3.30800
155 5S -0.14245 -0.04249 0.18308 0.10570 -0.46858
156 6PX 0.01485 0.00385 0.03538 0.01991 -0.01021
157 6PY 0.00283 -0.00222 -0.01991 -0.01239 0.00590
158 6PZ -0.00558 0.02112 -0.04246 -0.02451 0.00756
159 7PX -0.09852 -0.00345 -0.29177 -0.16621 0.08110
160 7PY -0.01196 0.00199 0.16621 0.09985 -0.04682
161 7PZ 0.03917 -0.14957 0.31234 0.18033 -0.05299
162 8PX 0.80129 -0.01053 2.48721 1.51722 0.40983
163 8PY -1.36658 0.00608 -1.51722 -0.73528 -0.23662
164 8PZ -0.77735 0.35541 -0.46967 -0.27116 -0.12632
165 9PX 1.89809 0.45702 3.24777 2.03330 1.71766
166 9PY -2.54613 -0.26386 -2.03330 -0.89992 -0.99169
167 9PZ -1.34575 0.06492 -0.05903 -0.03408 -0.61982
168 10D 0 0.00442 0.05001 -0.03298 -0.01904 0.01198
169 10D+1 -0.01414 -0.00064 -0.01189 0.01400 -0.01107
170 10D-1 -0.03136 0.00037 -0.01400 0.02805 0.00639
171 10D+2 -0.02626 0.00298 -0.01126 0.00402 0.00884
172 10D-2 -0.02053 -0.00516 0.00898 0.01126 -0.01532
173 11D 0 -0.02743 -0.30263 0.15591 0.09002 -0.09499
174 11D+1 0.05605 0.01402 0.07457 -0.07739 0.04421
175 11D-1 0.21382 -0.00810 0.07739 -0.16394 -0.02552
176 11D+2 0.13733 -0.00593 0.08864 0.01473 -0.03457
177 11D-2 0.07741 0.01026 -0.11708 -0.08864 0.05987
178 12D 0 0.20258 -0.07044 1.01708 0.58721 0.53474
179 12D+1 0.63660 -0.20586 -0.11115 -0.14236 0.50504
180 12D-1 -0.83006 0.11885 0.14236 -0.05323 -0.29158
181 12D+2 0.59261 -0.14822 -0.72051 -0.72823 -0.41394
182 12D-2 1.32617 0.25673 1.56021 0.72051 0.71696
183 13F 0 -0.00597 0.03402 0.02582 0.01491 -0.04304
184 13F+1 -0.01421 -0.04692 0.03793 0.03903 0.02443
185 13F-1 -0.01830 0.02709 -0.03903 0.00714 -0.01410
186 13F+2 0.01040 -0.00497 0.00305 -0.03520 0.02311
187 13F-2 -0.01750 0.00862 0.03167 -0.00305 -0.04003
188 13F+3 0.05496 0.00000 0.01175 -0.02035 0.00000
189 13F-3 0.01852 0.04363 0.02149 0.01241 0.05788
190 14F 0 0.10417 -0.33662 -0.16308 -0.09415 0.41028
191 14F+1 0.14019 0.41148 -0.43174 -0.40567 -0.23214
192 14F-1 0.17063 -0.23757 0.40567 -0.03669 0.13402
193 14F+2 -0.07381 0.06131 -0.08360 0.30078 -0.21769
194 14F-2 0.24257 -0.10618 -0.20425 0.08360 0.37705
195 14F+3 -0.59118 0.00000 -0.12509 0.21666 0.00000
196 14F-3 -0.21870 -0.38885 -0.37369 -0.21575 -0.54772
197 15G 0 0.00424 -0.00465 -0.00467 -0.00270 -0.00070
198 15G+1 -0.00233 0.00169 -0.00854 -0.00445 -0.00021
199 15G-1 0.00499 -0.00098 0.00445 0.00339 0.00012
200 15G+2 0.00034 0.00045 0.00280 0.00466 0.00037
201 15G-2 0.00381 -0.00077 -0.00789 -0.00280 -0.00064
202 15G+3 -0.00912 0.00000 -0.00014 0.00025 0.00000
203 15G-3 -0.00736 0.00234 -0.00723 -0.00417 -0.00052
204 15G+4 0.00985 0.00012 0.01390 -0.00219 -0.00170
205 15G-4 -0.00092 0.00021 0.01386 0.01390 -0.00295
206 4 H 1S -0.02280 -0.00537 0.03084 -0.01781 -0.01187
207 2S 0.84391 0.23401 -0.70684 0.40809 0.57056
208 3S -3.00936 -0.18713 4.63903 -2.67835 -1.03983
209 4S -6.55645 -0.83886 7.86896 -4.54315 -3.30800
210 5S -0.14245 -0.04249 -0.18308 0.10570 -0.46858
211 6PX -0.01485 -0.00385 0.03538 -0.01991 0.01021
212 6PY 0.00283 -0.00222 0.01991 -0.01239 0.00590
213 6PZ -0.00558 0.02112 0.04246 -0.02451 0.00756
214 7PX 0.09852 0.00345 -0.29177 0.16621 -0.08110
215 7PY -0.01196 0.00199 -0.16621 0.09985 -0.04682
216 7PZ 0.03917 -0.14957 -0.31234 0.18033 -0.05299
217 8PX -0.80129 0.01053 2.48721 -1.51722 -0.40983
218 8PY -1.36658 0.00608 1.51722 -0.73528 -0.23662
219 8PZ -0.77735 0.35541 0.46967 -0.27116 -0.12632
220 9PX -1.89809 -0.45702 3.24777 -2.03330 -1.71766
221 9PY -2.54613 -0.26386 2.03330 -0.89992 -0.99169
222 9PZ -1.34575 0.06492 0.05903 -0.03408 -0.61982
223 10D 0 0.00442 0.05001 0.03298 -0.01904 0.01198
224 10D+1 0.01414 0.00064 -0.01189 -0.01400 0.01107
225 10D-1 -0.03136 0.00037 0.01400 0.02805 0.00639
226 10D+2 -0.02626 0.00298 0.01126 0.00402 0.00884
227 10D-2 0.02053 0.00516 0.00898 -0.01126 0.01532
228 11D 0 -0.02743 -0.30263 -0.15591 0.09002 -0.09499
229 11D+1 -0.05605 -0.01402 0.07457 0.07739 -0.04421
230 11D-1 0.21382 -0.00810 -0.07739 -0.16394 -0.02552
231 11D+2 0.13733 -0.00593 -0.08864 0.01473 -0.03457
232 11D-2 -0.07741 -0.01026 -0.11708 0.08864 -0.05987
233 12D 0 0.20258 -0.07044 -1.01708 0.58721 0.53474
234 12D+1 -0.63660 0.20586 -0.11115 0.14236 -0.50504
235 12D-1 -0.83006 0.11885 -0.14236 -0.05323 -0.29158
236 12D+2 0.59261 -0.14822 0.72051 -0.72823 -0.41394
237 12D-2 -1.32617 -0.25673 1.56021 -0.72051 -0.71696
238 13F 0 -0.00597 0.03402 -0.02582 0.01491 -0.04304
239 13F+1 0.01421 0.04692 0.03793 -0.03903 -0.02443
240 13F-1 -0.01830 0.02709 0.03903 0.00714 -0.01410
241 13F+2 0.01040 -0.00497 -0.00305 -0.03520 0.02311
242 13F-2 0.01750 -0.00862 0.03167 0.00305 0.04003
243 13F+3 -0.05496 0.00000 0.01175 0.02035 0.00000
244 13F-3 0.01852 0.04363 -0.02149 0.01241 0.05788
245 14F 0 0.10417 -0.33662 0.16308 -0.09415 0.41028
246 14F+1 -0.14019 -0.41148 -0.43174 0.40567 0.23214
247 14F-1 0.17063 -0.23757 -0.40567 -0.03669 0.13402
248 14F+2 -0.07381 0.06131 0.08360 0.30078 -0.21769
249 14F-2 -0.24257 0.10618 -0.20425 -0.08360 -0.37705
250 14F+3 0.59118 0.00000 -0.12509 -0.21666 0.00000
251 14F-3 -0.21870 -0.38885 0.37369 -0.21575 -0.54772
252 15G 0 0.00424 -0.00465 0.00467 -0.00270 -0.00070
253 15G+1 0.00233 -0.00169 -0.00854 0.00445 0.00021
254 15G-1 0.00499 -0.00098 -0.00445 0.00339 0.00012
255 15G+2 0.00034 0.00045 -0.00280 0.00466 0.00037
256 15G-2 -0.00381 0.00077 -0.00789 0.00280 0.00064
257 15G+3 0.00912 0.00000 -0.00014 -0.00025 0.00000
258 15G-3 -0.00736 0.00234 0.00723 -0.00417 -0.00052
259 15G+4 0.00985 0.00012 -0.01390 -0.00219 -0.00170
260 15G-4 0.00092 -0.00021 0.01386 -0.01390 0.00295
141 142 143 144 145
(A2)--V (E)--V (E)--V (E)--V (E)--V
Eigenvalues -- 5.04416 5.06010 5.06010 5.08862 5.08862
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 6S 0.00000 0.00000 0.00000 0.00000 0.00000
7 7S 0.00000 0.00000 0.00000 0.00000 0.00000
8 8PX 0.00000 -0.12743 0.00000 0.00624 0.00000
9 8PY 0.00000 0.00000 0.12743 0.00000 0.00624
10 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
11 9PX 0.00000 0.24317 0.00000 0.00661 0.00000
12 9PY 0.00000 0.00000 -0.24317 0.00000 0.00661
13 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
14 10PX 0.00000 0.43851 0.00000 0.04639 0.00000
15 10PY 0.00000 0.00000 -0.43851 0.00000 0.04639
16 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000
17 11PX 0.00000 2.82260 0.00000 -0.20878 0.00000
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122 11D-2 -0.44258 -0.27665 0.00000 -0.03292 0.00000
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125 12D-1 0.00000 0.00000 -0.17948 0.00000 -0.79820
126 12D+2 0.00000 0.00000 -0.98151 0.00000 -0.12410
127 12D-2 0.67427 1.42510 0.00000 0.80448 0.00000
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129 13F+1 -0.03044 -0.00253 0.00000 0.03232 0.00000
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131 13F+2 0.00000 0.00000 0.05610 0.00000 0.03706
132 13F-2 0.03724 -0.01934 0.00000 -0.07458 0.00000
133 13F+3 -0.04477 -0.05521 0.00000 -0.00301 0.00000
134 13F-3 0.00000 0.00000 -0.06482 0.00000 -0.00850
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138 14F+2 0.00000 0.00000 -0.52246 0.00000 -0.37268
139 14F-2 -0.33926 0.20080 0.00000 0.73526 0.00000
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141 14F-3 0.00000 0.00000 0.63889 0.00000 0.12175
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145 15G+2 0.00000 0.00000 0.00204 0.00000 -0.00531
146 15G-2 -0.00054 -0.00515 0.00000 -0.00400 0.00000
147 15G+3 0.00034 0.00559 0.00000 0.00320 0.00000
148 15G-3 0.00000 0.00000 -0.00561 0.00000 0.00224
149 15G+4 0.00000 0.00000 0.00025 0.00000 0.00417
150 15G-4 -0.00032 -0.01110 0.00000 -0.01185 0.00000
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152 2S 0.00000 0.17042 0.09839 0.12497 -0.07215
153 3S 0.00000 -0.43936 -0.25367 0.36598 -0.21130
154 4S 0.00000 -3.15332 -1.82057 0.70746 -0.40845
155 5S 0.00000 -0.22866 -0.13202 -0.05782 0.03338
156 6PX 0.00012 -0.01007 -0.01748 -0.00892 0.00692
157 6PY 0.00021 0.01748 -0.01011 0.00692 -0.00092
158 6PZ 0.00000 0.00758 0.00437 -0.01932 0.01116
159 7PX 0.00382 0.05269 0.11638 0.08962 -0.06479
160 7PY 0.00661 -0.11638 0.08169 -0.06479 0.01480
161 7PZ 0.00000 -0.05000 -0.02887 0.13509 -0.07799
162 8PX 0.09411 0.19160 0.45032 -0.37405 -0.08730
163 8PY 0.16301 -0.45032 0.32839 -0.08730 -0.47486
164 8PZ 0.00000 0.06861 0.03961 0.40190 -0.23203
165 9PX 0.09575 1.14295 1.44696 -0.15493 -0.48541
166 9PY 0.16585 -1.44696 0.52786 -0.48541 -0.71544
167 9PZ 0.00000 -0.23614 -0.13634 1.01092 -0.58365
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171 10D+2 -0.05865 0.01696 -0.02531 0.01692 -0.01155
172 10D-2 -0.03386 0.00573 -0.01696 -0.03108 0.01692
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174 11D+1 0.36174 0.21581 0.08425 0.05662 0.21211
175 11D-1 0.62655 -0.08425 -0.11853 0.21211 0.30154
176 11D+2 0.38329 -0.12298 0.20565 -0.11153 0.03148
177 11D-2 0.22129 -0.06364 0.12298 0.16026 -0.11153
178 12D 0 0.00000 0.30113 0.17386 1.04780 -0.60495
179 12D+1 -0.36656 0.04553 0.23201 -0.84137 -0.07477
180 12D-1 -0.63490 -0.23201 0.22237 -0.07477 -0.92770
181 12D+2 -0.58393 0.19208 -1.31420 0.40208 0.57234
182 12D-2 -0.33713 1.09241 -0.19208 0.10805 0.40208
183 13F 0 0.00000 -0.03627 -0.02094 -0.01065 0.00615
184 13F+1 0.01522 0.03116 0.01946 0.06149 -0.01684
185 13F-1 0.02636 -0.01946 -0.00870 -0.01684 0.04205
186 13F+2 -0.03225 0.01592 0.02853 -0.04834 -0.04667
187 13F-2 -0.01862 -0.04691 -0.01592 0.00915 -0.04834
188 13F+3 -0.04477 0.02761 -0.04782 0.00150 0.00260
189 13F-3 0.00000 0.05614 0.03241 -0.00736 0.00425
190 14F 0 0.00000 0.33172 0.19152 0.08873 -0.05123
191 14F+1 -0.14580 -0.32067 -0.20311 -0.56934 0.17224
192 14F-1 -0.25253 0.20311 0.08614 0.17224 -0.37046
193 14F+2 0.29380 -0.13928 -0.28121 0.47975 0.45828
194 14F-2 0.16963 0.44204 0.13928 -0.09569 0.47975
195 14F+3 0.40172 -0.28531 0.49417 -0.04674 -0.08096
196 14F-3 0.00000 -0.55329 -0.31944 0.10544 -0.06088
197 15G 0 0.00000 -0.00234 -0.00135 -0.00483 0.00279
198 15G+1 -0.00022 0.00230 0.00013 0.00168 0.00085
199 15G-1 -0.00037 -0.00013 -0.00214 0.00085 0.00266
200 15G+2 0.00047 -0.00134 0.00437 0.00057 -0.00432
201 15G-2 0.00027 -0.00282 0.00134 -0.00498 0.00057
202 15G+3 0.00034 -0.00280 0.00485 -0.00160 -0.00278
203 15G-3 0.00000 0.00486 0.00280 0.00194 -0.00112
204 15G+4 -0.00028 0.00491 -0.00826 0.00333 0.00993
205 15G-4 0.00016 -0.00259 0.00491 -0.00609 -0.00333
206 4 H 1S 0.00000 0.00286 -0.00165 0.00443 0.00256
207 2S 0.00000 -0.17042 0.09839 -0.12497 -0.07215
208 3S 0.00000 0.43936 -0.25367 -0.36598 -0.21130
209 4S 0.00000 3.15332 -1.82057 -0.70746 -0.40845
210 5S 0.00000 0.22866 -0.13202 0.05782 0.03338
211 6PX 0.00012 -0.01007 0.01748 -0.00892 -0.00692
212 6PY -0.00021 -0.01748 -0.01011 -0.00692 -0.00092
213 6PZ 0.00000 -0.00758 0.00437 0.01932 0.01116
214 7PX 0.00382 0.05269 -0.11638 0.08962 0.06479
215 7PY -0.00661 0.11638 0.08169 0.06479 0.01480
216 7PZ 0.00000 0.05000 -0.02887 -0.13509 -0.07799
217 8PX 0.09411 0.19160 -0.45032 -0.37405 0.08730
218 8PY -0.16301 0.45032 0.32839 0.08730 -0.47486
219 8PZ 0.00000 -0.06861 0.03961 -0.40190 -0.23203
220 9PX 0.09575 1.14295 -1.44696 -0.15493 0.48541
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223 10D 0 0.00000 0.06445 -0.03721 -0.09296 -0.05367
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226 10D+2 0.05865 -0.01696 -0.02531 -0.01692 -0.01155
227 10D-2 -0.03386 0.00573 0.01696 -0.03108 -0.01692
228 11D 0 0.00000 -0.37987 0.21932 0.60947 0.35188
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230 11D-1 -0.62655 0.08425 -0.11853 -0.21211 0.30154
231 11D+2 -0.38329 0.12298 0.20565 0.11153 0.03148
232 11D-2 0.22129 -0.06364 -0.12298 0.16026 0.11153
233 12D 0 0.00000 -0.30113 0.17386 -1.04780 -0.60495
234 12D+1 -0.36656 0.04553 -0.23201 -0.84137 0.07477
235 12D-1 0.63490 0.23201 0.22237 0.07477 -0.92770
236 12D+2 0.58393 -0.19208 -1.31420 -0.40208 0.57234
237 12D-2 -0.33713 1.09241 0.19208 0.10805 -0.40208
238 13F 0 0.00000 0.03627 -0.02094 0.01065 0.00615
239 13F+1 0.01522 0.03116 -0.01946 0.06149 0.01684
240 13F-1 -0.02636 0.01946 -0.00870 0.01684 0.04205
241 13F+2 0.03225 -0.01592 0.02853 0.04834 -0.04667
242 13F-2 -0.01862 -0.04691 0.01592 0.00915 0.04834
243 13F+3 -0.04477 0.02761 0.04782 0.00150 -0.00260
244 13F-3 0.00000 -0.05614 0.03241 0.00736 0.00425
245 14F 0 0.00000 -0.33172 0.19152 -0.08873 -0.05123
246 14F+1 -0.14580 -0.32067 0.20311 -0.56934 -0.17224
247 14F-1 0.25253 -0.20311 0.08614 -0.17224 -0.37046
248 14F+2 -0.29380 0.13928 -0.28121 -0.47975 0.45828
249 14F-2 0.16963 0.44204 -0.13928 -0.09569 -0.47975
250 14F+3 0.40172 -0.28531 -0.49417 -0.04674 0.08096
251 14F-3 0.00000 0.55329 -0.31944 -0.10544 -0.06088
252 15G 0 0.00000 0.00234 -0.00135 0.00483 0.00279
253 15G+1 -0.00022 0.00230 -0.00013 0.00168 -0.00085
254 15G-1 0.00037 0.00013 -0.00214 -0.00085 0.00266
255 15G+2 -0.00047 0.00134 0.00437 -0.00057 -0.00432
256 15G-2 0.00027 -0.00282 -0.00134 -0.00498 -0.00057
257 15G+3 0.00034 -0.00280 -0.00485 -0.00160 0.00278
258 15G-3 0.00000 -0.00486 0.00280 -0.00194 -0.00112
259 15G+4 0.00028 -0.00491 -0.00826 -0.00333 0.00993
260 15G-4 0.00016 -0.00259 -0.00491 -0.00609 0.00333
146 147 148 149 150
(E)--V (E)--V (A1)--V (E)--V (E)--V
Eigenvalues -- 5.14784 5.14784 5.19858 5.25483 5.25483
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5 5S 0.00000 0.00000 0.56408 0.00000 0.00000
6 6S 0.00000 0.00000 11.09844 0.00000 0.00000
7 7S 0.00000 0.00000 0.25866 0.00000 0.00000
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9 8PY 0.00000 0.01723 0.00000 0.04833 0.00000
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11 9PX 0.02647 0.00000 0.00000 0.00000 -0.27326
12 9PY 0.00000 0.02647 0.00000 -0.27326 0.00000
13 9PZ 0.00000 0.00000 -0.08885 0.00000 0.00000
14 10PX 0.30646 0.00000 0.00000 0.00000 -1.40781
15 10PY 0.00000 0.30646 0.00000 -1.40781 0.00000
16 10PZ 0.00000 0.00000 -0.42300 0.00000 0.00000
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18 11PY 0.00000 -1.78241 0.00000 4.10216 0.00000
19 11PZ 0.00000 0.00000 0.97018 0.00000 0.00000
20 12PX -2.03399 0.00000 0.00000 0.00000 1.54251
21 12PY 0.00000 -2.03399 0.00000 1.54251 0.00000
22 12PZ 0.00000 0.00000 -1.10062 0.00000 0.00000
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24 13PY 0.00000 -0.08856 0.00000 0.00556 0.00000
25 13PZ 0.00000 0.00000 0.13941 0.00000 0.00000
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28 14D-1 0.00000 0.22801 0.00000 -0.04410 0.00000
29 14D+2 0.00000 1.18347 0.00000 -0.04579 0.00000
30 14D-2 1.18347 0.00000 0.00000 0.00000 -0.04579
31 15D 0 0.00000 0.00000 -4.11459 0.00000 0.00000
32 15D+1 0.28240 0.00000 0.00000 0.00000 -0.14984
33 15D-1 0.00000 0.28240 0.00000 -0.14984 0.00000
34 15D+2 0.00000 3.00864 0.00000 -0.51478 0.00000
35 15D-2 3.00864 0.00000 0.00000 0.00000 -0.51478
36 16D 0 0.00000 0.00000 0.53359 0.00000 0.00000
37 16D+1 0.06640 0.00000 0.00000 0.00000 -0.14590
38 16D-1 0.00000 0.06640 0.00000 -0.14590 0.00000
39 16D+2 0.00000 -0.16472 0.00000 -0.08736 0.00000
40 16D-2 -0.16472 0.00000 0.00000 0.00000 -0.08736
41 17D 0 0.00000 0.00000 -0.13219 0.00000 0.00000
42 17D+1 -0.07555 0.00000 0.00000 0.00000 0.15934
43 17D-1 0.00000 -0.07555 0.00000 0.15934 0.00000
44 17D+2 0.00000 0.09113 0.00000 0.12889 0.00000
45 17D-2 0.09113 0.00000 0.00000 0.00000 0.12889
46 18F 0 0.00000 0.00000 0.19356 0.00000 0.00000
47 18F+1 0.27192 0.00000 0.00000 0.00000 -0.00765
48 18F-1 0.00000 0.27192 0.00000 -0.00765 0.00000
49 18F+2 0.00000 -0.38870 0.00000 -0.11431 0.00000
50 18F-2 -0.38870 0.00000 0.00000 0.00000 -0.11431
51 18F+3 0.00000 0.00000 0.00000 0.00000 0.00000
52 18F-3 0.00000 0.00000 -0.63847 0.00000 0.00000
53 19F 0 0.00000 0.00000 0.48679 0.00000 0.00000
54 19F+1 0.60958 0.00000 0.00000 0.00000 -0.59243
55 19F-1 0.00000 0.60958 0.00000 -0.59243 0.00000
56 19F+2 0.00000 -0.47551 0.00000 0.38419 0.00000
57 19F-2 -0.47551 0.00000 0.00000 0.00000 0.38419
58 19F+3 0.00000 0.00000 0.00000 0.00000 0.00000
59 19F-3 0.00000 0.00000 -1.66114 0.00000 0.00000
60 20F 0 0.00000 0.00000 -0.33414 0.00000 0.00000
61 20F+1 0.29118 0.00000 0.00000 0.00000 -0.46375
62 20F-1 0.00000 0.29118 0.00000 -0.46375 0.00000
63 20F+2 0.00000 -0.12159 0.00000 -0.48787 0.00000
64 20F-2 -0.12159 0.00000 0.00000 0.00000 -0.48787
65 20F+3 0.00000 0.00000 0.00000 0.00000 0.00000
66 20F-3 0.00000 0.00000 -0.38898 0.00000 0.00000
67 21G 0 0.00000 0.00000 0.41734 0.00000 0.00000
68 21G+1 -0.48750 0.00000 0.00000 0.00000 -0.16912
69 21G-1 0.00000 -0.48750 0.00000 -0.16912 0.00000
70 21G+2 0.00000 -0.37877 0.00000 -0.38610 0.00000
71 21G-2 -0.37877 0.00000 0.00000 0.00000 -0.38610
72 21G+3 0.00000 0.00000 0.00000 0.00000 0.00000
73 21G-3 0.00000 0.00000 0.19531 0.00000 0.00000
74 21G+4 0.00000 0.56077 0.00000 0.08117 0.00000
75 21G-4 -0.56077 0.00000 0.00000 0.00000 -0.08117
76 22G 0 0.00000 0.00000 0.86590 0.00000 0.00000
77 22G+1 -0.37697 0.00000 0.00000 0.00000 0.23184
78 22G-1 0.00000 -0.37697 0.00000 0.23184 0.00000
79 22G+2 0.00000 -0.61023 0.00000 0.36299 0.00000
80 22G-2 -0.61023 0.00000 0.00000 0.00000 0.36299
81 22G+3 0.00000 0.00000 0.00000 0.00000 0.00000
82 22G-3 0.00000 0.00000 -0.35421 0.00000 0.00000
83 22G+4 0.00000 0.32469 0.00000 0.46609 0.00000
84 22G-4 -0.32469 0.00000 0.00000 0.00000 -0.46609
85 23H 0 0.00000 0.00000 -0.36724 0.00000 0.00000
86 23H+1 0.03496 0.00000 0.00000 0.00000 0.12959
87 23H-1 0.00000 0.03496 0.00000 0.12959 0.00000
88 23H+2 0.00000 0.67554 0.00000 -0.07149 0.00000
89 23H-2 0.67554 0.00000 0.00000 0.00000 -0.07149
90 23H+3 0.00000 0.00000 0.00000 0.00000 0.00000
91 23H-3 0.00000 0.00000 0.44258 0.00000 0.00000
92 23H+4 0.00000 -0.02490 0.00000 0.28233 0.00000
93 23H-4 0.02490 0.00000 0.00000 0.00000 -0.28233
94 23H+5 0.02574 0.00000 0.00000 0.00000 0.37566
95 23H-5 0.00000 -0.02574 0.00000 -0.37566 0.00000
96 2 H 1S 0.00000 0.00912 -0.00709 -0.01766 0.00000
97 2S 0.00000 -0.25776 0.36327 0.54894 0.00000
98 3S 0.00000 1.73012 -1.97116 -1.03042 0.00000
99 4S 0.00000 2.92205 -3.58839 -2.43179 0.00000
100 5S 0.00000 0.08091 0.07748 0.00994 0.00000
101 6PX 0.01027 0.00000 0.00000 0.00000 0.01889
102 6PY 0.00000 -0.01545 0.01884 0.03091 0.00000
103 6PZ 0.00000 -0.02088 0.03854 0.01707 0.00000
104 7PX -0.08372 0.00000 0.00000 0.00000 -0.14119
105 7PY 0.00000 0.12653 -0.13091 -0.19751 0.00000
106 7PZ 0.00000 0.14684 -0.27969 -0.13425 0.00000
107 8PX -0.36662 0.00000 0.00000 0.00000 -0.02785
108 8PY 0.00000 -0.93344 0.67034 0.66590 0.00000
109 8PZ 0.00000 0.30570 -0.48158 -0.16488 0.00000
110 9PX -1.11283 0.00000 0.00000 0.00000 -0.67881
111 9PY 0.00000 -1.07243 1.28494 1.43888 0.00000
112 9PZ 0.00000 0.98957 -1.79510 -1.05562 0.00000
113 10D 0 0.00000 -0.05993 0.03355 -0.05038 0.00000
114 10D+1 0.02942 0.00000 0.00000 0.00000 -0.09734
115 10D-1 0.00000 -0.02868 0.06009 0.02460 0.00000
116 10D+2 0.00000 0.05247 -0.02627 0.09898 0.00000
117 10D-2 0.05429 0.00000 0.00000 0.00000 0.01495
118 11D 0 0.00000 0.37231 -0.19176 0.29437 0.00000
119 11D+1 -0.17097 0.00000 0.00000 0.00000 0.62877
120 11D-1 0.00000 0.20093 -0.43649 -0.23122 0.00000
121 11D+2 0.00000 -0.32137 0.16671 -0.68609 0.00000
122 11D-2 -0.37581 0.00000 0.00000 0.00000 -0.12571
123 12D 0 0.00000 -0.73424 -0.20323 -0.20321 0.00000
124 12D+1 -0.36188 0.00000 0.00000 0.00000 -0.95297
125 12D-1 0.00000 -1.07660 1.60456 1.01549 0.00000
126 12D+2 0.00000 0.21145 -0.19587 0.69442 0.00000
127 12D-2 0.98427 0.00000 0.00000 0.00000 0.58713
128 13F 0 0.00000 0.07328 -0.03943 -0.02543 0.00000
129 13F+1 0.00655 0.00000 0.00000 0.00000 0.01791
130 13F-1 0.00000 -0.03435 -0.04166 -0.03873 0.00000
131 13F+2 0.00000 0.04501 -0.04549 -0.02674 0.00000
132 13F-2 -0.04990 0.00000 0.00000 0.00000 -0.05637
133 13F+3 -0.01594 0.00000 0.00000 0.00000 -0.03773
134 13F-3 0.00000 0.05631 -0.03789 -0.03281 0.00000
135 14F 0 0.00000 -0.70641 0.40048 0.25591 0.00000
136 14F+1 -0.07999 0.00000 0.00000 0.00000 -0.17416
137 14F-1 0.00000 0.34516 0.40343 0.36502 0.00000
138 14F+2 0.00000 -0.44702 0.46288 0.25671 0.00000
139 14F-2 0.46023 0.00000 0.00000 0.00000 0.57725
140 14F+3 0.18103 0.00000 0.00000 0.00000 0.35186
141 14F-3 0.00000 -0.47462 0.36318 0.27222 0.00000
142 15G 0 0.00000 -0.00110 0.00497 0.00046 0.00000
143 15G+1 -0.00142 0.00000 0.00000 0.00000 0.00312
144 15G-1 0.00000 -0.00255 -0.00447 -0.00696 0.00000
145 15G+2 0.00000 -0.00457 0.00452 -0.00225 0.00000
146 15G-2 -0.00236 0.00000 0.00000 0.00000 -0.00068
147 15G+3 -0.00078 0.00000 0.00000 0.00000 0.00317
148 15G-3 0.00000 0.00087 -0.00745 -0.00720 0.00000
149 15G+4 0.00000 0.00715 -0.00039 -0.00772 0.00000
150 15G-4 -0.00772 0.00000 0.00000 0.00000 0.00056
151 3 H 1S 0.00790 -0.00456 -0.00709 0.00883 -0.01529
152 2S -0.22323 0.12888 0.36327 -0.27447 0.47539
153 3S 1.49832 -0.86506 -1.97116 0.51521 -0.89237
154 4S 2.53057 -1.46102 -3.58839 1.21590 -2.10599
155 5S 0.07007 -0.04046 0.07748 -0.00497 0.00860
156 6PX -0.00902 0.01114 0.01631 -0.00521 0.02791
157 6PY 0.01114 0.00384 -0.00942 0.02189 -0.00521
158 6PZ -0.01808 0.01044 0.03854 -0.00854 0.01479
159 7PX 0.07397 -0.09104 -0.11337 0.02439 -0.18343
160 7PY -0.09104 -0.03115 0.06546 -0.15527 0.02439
161 7PZ 0.12717 -0.07342 -0.27969 0.06713 -0.11627
162 8PX -0.79173 0.24544 0.58053 -0.30040 0.49246
163 8PY 0.24544 -0.50832 -0.33517 0.14559 -0.30040
164 8PZ 0.26474 -0.15285 -0.48158 0.08244 -0.14279
165 9PX -1.08253 -0.01749 1.11279 -0.91699 0.90946
166 9PY -0.01749 -1.10273 -0.64247 -0.14939 -0.91699
167 9PZ 0.85699 -0.49478 -1.79510 0.52781 -0.91419
168 10D 0 -0.05190 0.02996 0.03355 0.02519 -0.04363
169 10D+1 -0.01415 0.02516 0.05204 -0.05280 -0.00588
170 10D-1 0.02516 0.01490 -0.03004 -0.06685 -0.05280
171 10D+2 0.00079 0.05384 0.01313 0.03596 -0.03639
172 10D-2 0.05293 0.00079 -0.02275 -0.03639 0.07798
173 11D 0 0.32243 -0.18615 -0.19176 -0.14719 0.25493
174 11D+1 0.10796 -0.16104 -0.37801 0.37239 -0.01622
175 11D-1 -0.16104 -0.07799 0.21824 0.41377 0.37239
176 11D+2 -0.02358 -0.36220 -0.08335 -0.26581 0.24265
177 11D-2 -0.33498 -0.02358 0.14437 0.24265 -0.54600
178 12D 0 -0.63587 0.36712 -0.20323 0.10161 -0.17599
179 12D+1 -0.89792 0.30948 1.38959 -0.85237 0.52338
180 12D-1 0.30948 -0.54056 -0.80228 -0.46085 -0.85237
181 12D+2 0.33464 0.79107 0.09794 0.61395 -0.04646
182 12D-2 0.40466 0.33464 -0.16963 -0.04646 0.66760
183 13F 0 0.06347 -0.03664 -0.03943 0.01271 -0.02202
184 13F+1 -0.02412 0.01771 -0.03608 0.02453 -0.02457
185 13F-1 0.01771 -0.00367 0.02083 0.00375 0.02453
186 13F+2 -0.04109 -0.02617 0.02275 -0.04896 -0.01283
187 13F-2 0.02128 -0.04109 -0.03940 -0.01283 -0.03415
188 13F+3 0.00797 0.01380 0.00000 0.03267 0.01886
189 13F-3 0.04876 -0.02815 -0.03789 0.01640 -0.02841
190 14F 0 -0.61177 0.35320 0.40048 -0.12795 0.22162
191 14F+1 0.23888 -0.18410 0.34938 -0.23347 0.23023
192 14F-1 -0.18410 0.02630 -0.20171 -0.03936 -0.23347
193 14F+2 0.39285 0.23342 -0.23144 0.49711 0.13880
194 14F-2 -0.22021 0.39285 0.40087 0.13880 0.33684
195 14F+3 -0.09052 -0.15678 0.00000 -0.30472 -0.17593
196 14F-3 -0.41103 0.23731 0.36318 -0.13611 0.23575
197 15G 0 -0.00095 0.00055 0.00497 -0.00023 0.00040
198 15G+1 -0.00227 0.00049 -0.00387 0.00436 -0.00444
199 15G-1 0.00049 -0.00170 0.00224 0.00060 0.00436
200 15G+2 0.00096 -0.00291 -0.00226 -0.00107 0.00068
201 15G-2 -0.00401 0.00096 0.00392 0.00068 -0.00186
202 15G+3 0.00039 0.00067 0.00000 -0.00274 -0.00158
203 15G-3 0.00075 -0.00044 -0.00745 0.00360 -0.00624
204 15G+4 0.00024 0.00758 0.00019 -0.00235 0.00310
205 15G-4 -0.00729 -0.00024 0.00034 -0.00310 0.00593
206 4 H 1S -0.00790 -0.00456 -0.00709 0.00883 0.01529
207 2S 0.22323 0.12888 0.36327 -0.27447 -0.47539
208 3S -1.49832 -0.86506 -1.97116 0.51521 0.89237
209 4S -2.53057 -1.46102 -3.58839 1.21590 2.10599
210 5S -0.07007 -0.04046 0.07748 -0.00497 -0.00860
211 6PX -0.00902 -0.01114 -0.01631 0.00521 0.02791
212 6PY -0.01114 0.00384 -0.00942 0.02189 0.00521
213 6PZ 0.01808 0.01044 0.03854 -0.00854 -0.01479
214 7PX 0.07397 0.09104 0.11337 -0.02439 -0.18343
215 7PY 0.09104 -0.03115 0.06546 -0.15527 -0.02439
216 7PZ -0.12717 -0.07342 -0.27969 0.06713 0.11627
217 8PX -0.79173 -0.24544 -0.58053 0.30040 0.49246
218 8PY -0.24544 -0.50832 -0.33517 0.14559 0.30040
219 8PZ -0.26474 -0.15285 -0.48158 0.08244 0.14279
220 9PX -1.08253 0.01749 -1.11279 0.91699 0.90946
221 9PY 0.01749 -1.10273 -0.64247 -0.14939 0.91699
222 9PZ -0.85699 -0.49478 -1.79510 0.52781 0.91419
223 10D 0 0.05190 0.02996 0.03355 0.02519 0.04363
224 10D+1 -0.01415 -0.02516 -0.05204 0.05280 -0.00588
225 10D-1 -0.02516 0.01490 -0.03004 -0.06685 0.05280
226 10D+2 -0.00079 0.05384 0.01313 0.03596 0.03639
227 10D-2 0.05293 -0.00079 0.02275 0.03639 0.07798
228 11D 0 -0.32243 -0.18615 -0.19176 -0.14719 -0.25493
229 11D+1 0.10796 0.16104 0.37801 -0.37239 -0.01622
230 11D-1 0.16104 -0.07799 0.21824 0.41377 -0.37239
231 11D+2 0.02358 -0.36220 -0.08335 -0.26581 -0.24265
232 11D-2 -0.33498 0.02358 -0.14437 -0.24265 -0.54600
233 12D 0 0.63587 0.36712 -0.20323 0.10161 0.17599
234 12D+1 -0.89792 -0.30948 -1.38959 0.85237 0.52338
235 12D-1 -0.30948 -0.54056 -0.80228 -0.46085 0.85237
236 12D+2 -0.33464 0.79107 0.09794 0.61395 0.04646
237 12D-2 0.40466 -0.33464 0.16963 0.04646 0.66760
238 13F 0 -0.06347 -0.03664 -0.03943 0.01271 0.02202
239 13F+1 -0.02412 -0.01771 0.03608 -0.02453 -0.02457
240 13F-1 -0.01771 -0.00367 0.02083 0.00375 -0.02453
241 13F+2 0.04109 -0.02617 0.02275 -0.04896 0.01283
242 13F-2 0.02128 0.04109 0.03940 0.01283 -0.03415
243 13F+3 0.00797 -0.01380 0.00000 -0.03267 0.01886
244 13F-3 -0.04876 -0.02815 -0.03789 0.01640 0.02841
245 14F 0 0.61177 0.35320 0.40048 -0.12795 -0.22162
246 14F+1 0.23888 0.18410 -0.34938 0.23347 0.23023
247 14F-1 0.18410 0.02630 -0.20171 -0.03936 0.23347
248 14F+2 -0.39285 0.23342 -0.23144 0.49711 -0.13880
249 14F-2 -0.22021 -0.39285 -0.40087 -0.13880 0.33684
250 14F+3 -0.09052 0.15678 0.00000 0.30472 -0.17593
251 14F-3 0.41103 0.23731 0.36318 -0.13611 -0.23575
252 15G 0 0.00095 0.00055 0.00497 -0.00023 -0.00040
253 15G+1 -0.00227 -0.00049 0.00387 -0.00436 -0.00444
254 15G-1 -0.00049 -0.00170 0.00224 0.00060 -0.00436
255 15G+2 -0.00096 -0.00291 -0.00226 -0.00107 -0.00068
256 15G-2 -0.00401 -0.00096 -0.00392 -0.00068 -0.00186
257 15G+3 0.00039 -0.00067 0.00000 0.00274 -0.00158
258 15G-3 -0.00075 -0.00044 -0.00745 0.00360 0.00624
259 15G+4 -0.00024 0.00758 0.00019 -0.00235 -0.00310
260 15G-4 -0.00729 0.00024 -0.00034 0.00310 0.00593
151 152 153 154 155
(A2)--V (A1)--V (A1)--V (E)--V (E)--V
Eigenvalues -- 5.30050 5.30216 5.36972 5.37484 5.37484
1 1 Si 1S 0.00000 -0.13674 -0.04050 0.00000 0.00000
2 2S 0.00000 -0.00745 -0.00355 0.00000 0.00000
3 3S 0.00000 -2.11037 -0.64439 0.00000 0.00000
4 4S 0.00000 -6.42959 -2.18257 0.00000 0.00000
5 5S 0.00000 6.72027 4.30877 0.00000 0.00000
6 6S 0.00000 17.07534 2.21368 0.00000 0.00000
7 7S 0.00000 1.11684 0.21922 0.00000 0.00000
8 8PX 0.00000 0.00000 0.00000 -0.01226 0.00000
9 8PY 0.00000 0.00000 0.00000 0.00000 -0.01226
10 8PZ 0.00000 -0.02708 0.00409 0.00000 0.00000
11 9PX 0.00000 0.00000 0.00000 -0.19356 0.00000
12 9PY 0.00000 0.00000 0.00000 0.00000 -0.19356
13 9PZ 0.00000 0.17161 0.13527 0.00000 0.00000
14 10PX 0.00000 0.00000 0.00000 -1.28888 0.00000
15 10PY 0.00000 0.00000 0.00000 0.00000 -1.28888
16 10PZ 0.00000 1.11724 0.77118 0.00000 0.00000
17 11PX 0.00000 0.00000 0.00000 4.90628 0.00000
18 11PY 0.00000 0.00000 0.00000 0.00000 4.90628
19 11PZ 0.00000 -4.35715 -2.73737 0.00000 0.00000
20 12PX 0.00000 0.00000 0.00000 3.07825 0.00000
21 12PY 0.00000 0.00000 0.00000 0.00000 3.07825
22 12PZ 0.00000 -3.39888 -1.26571 0.00000 0.00000
23 13PX 0.00000 0.00000 0.00000 -0.07516 0.00000
24 13PY 0.00000 0.00000 0.00000 0.00000 -0.07516
25 13PZ 0.00000 0.03099 -0.05335 0.00000 0.00000
26 14D 0 0.00000 -0.93629 0.36918 0.00000 0.00000
27 14D+1 0.00000 0.00000 0.00000 -0.14251 0.00000
28 14D-1 0.00000 0.00000 0.00000 0.00000 -0.14251
29 14D+2 0.00000 0.00000 0.00000 0.00000 -0.18491
30 14D-2 0.00000 0.00000 0.00000 -0.18491 0.00000
31 15D 0 0.00000 -2.69430 0.59060 0.00000 0.00000
32 15D+1 0.00000 0.00000 0.00000 -1.07014 0.00000
33 15D-1 0.00000 0.00000 0.00000 0.00000 -1.07014
34 15D+2 0.00000 0.00000 0.00000 0.00000 -1.63739
35 15D-2 0.00000 0.00000 0.00000 -1.63739 0.00000
36 16D 0 0.00000 -0.13529 -0.26313 0.00000 0.00000
37 16D+1 0.00000 0.00000 0.00000 0.02443 0.00000
38 16D-1 0.00000 0.00000 0.00000 0.00000 0.02443
39 16D+2 0.00000 0.00000 0.00000 0.00000 -0.09220
40 16D-2 0.00000 0.00000 0.00000 -0.09220 0.00000
41 17D 0 0.00000 0.10631 0.06145 0.00000 0.00000
42 17D+1 0.00000 0.00000 0.00000 -0.07823 0.00000
43 17D-1 0.00000 0.00000 0.00000 0.00000 -0.07823
44 17D+2 0.00000 0.00000 0.00000 0.00000 0.01055
45 17D-2 0.00000 0.00000 0.00000 0.01055 0.00000
46 18F 0 0.00000 0.21823 0.12062 0.00000 0.00000
47 18F+1 0.00000 0.00000 0.00000 -0.43039 0.00000
48 18F-1 0.00000 0.00000 0.00000 0.00000 -0.43039
49 18F+2 0.00000 0.00000 0.00000 0.00000 -0.23097
50 18F-2 0.00000 0.00000 0.00000 -0.23097 0.00000
51 18F+3 0.51763 0.00000 0.00000 0.00000 0.00000
52 18F-3 0.00000 -0.50731 0.86746 0.00000 0.00000
53 19F 0 0.00000 0.97403 0.40892 0.00000 0.00000
54 19F+1 0.00000 0.00000 0.00000 -0.28540 0.00000
55 19F-1 0.00000 0.00000 0.00000 0.00000 -0.28540
56 19F+2 0.00000 0.00000 0.00000 0.00000 -0.12502
57 19F-2 0.00000 0.00000 0.00000 -0.12502 0.00000
58 19F+3 0.87337 0.00000 0.00000 0.00000 0.00000
59 19F-3 0.00000 -1.93507 0.79223 0.00000 0.00000
60 20F 0 0.00000 0.46812 0.41135 0.00000 0.00000
61 20F+1 0.00000 0.00000 0.00000 -0.45834 0.00000
62 20F-1 0.00000 0.00000 0.00000 0.00000 -0.45834
63 20F+2 0.00000 0.00000 0.00000 0.00000 -0.02854
64 20F-2 0.00000 0.00000 0.00000 -0.02854 0.00000
65 20F+3 1.22743 0.00000 0.00000 0.00000 0.00000
66 20F-3 0.00000 -0.57041 -0.20243 0.00000 0.00000
67 21G 0 0.00000 0.01785 -0.23274 0.00000 0.00000
68 21G+1 0.00000 0.00000 0.00000 0.20658 0.00000
69 21G-1 0.00000 0.00000 0.00000 0.00000 0.20658
70 21G+2 0.00000 0.00000 0.00000 0.00000 0.28828
71 21G-2 0.00000 0.00000 0.00000 0.28828 0.00000
72 21G+3 0.17372 0.00000 0.00000 0.00000 0.00000
73 21G-3 0.00000 0.26675 -0.47672 0.00000 0.00000
74 21G+4 0.00000 0.00000 0.00000 0.00000 0.21186
75 21G-4 0.00000 0.00000 0.00000 -0.21186 0.00000
76 22G 0 0.00000 -0.01608 -0.38044 0.00000 0.00000
77 22G+1 0.00000 0.00000 0.00000 0.01127 0.00000
78 22G-1 0.00000 0.00000 0.00000 0.00000 0.01127
79 22G+2 0.00000 0.00000 0.00000 0.00000 0.13777
80 22G-2 0.00000 0.00000 0.00000 0.13777 0.00000
81 22G+3 -0.76079 0.00000 0.00000 0.00000 0.00000
82 22G-3 0.00000 0.61115 0.58174 0.00000 0.00000
83 22G+4 0.00000 0.00000 0.00000 0.00000 0.81264
84 22G-4 0.00000 0.00000 0.00000 -0.81264 0.00000
85 23H 0 0.00000 -0.15229 -0.00682 0.00000 0.00000
86 23H+1 0.00000 0.00000 0.00000 -0.15714 0.00000
87 23H-1 0.00000 0.00000 0.00000 0.00000 -0.15714
88 23H+2 0.00000 0.00000 0.00000 0.00000 0.16410
89 23H-2 0.00000 0.00000 0.00000 0.16410 0.00000
90 23H+3 -0.07861 0.00000 0.00000 0.00000 0.00000
91 23H-3 0.00000 0.08063 -0.17289 0.00000 0.00000
92 23H+4 0.00000 0.00000 0.00000 0.00000 -0.47259
93 23H-4 0.00000 0.00000 0.00000 0.47259 0.00000
94 23H+5 0.00000 0.00000 0.00000 -0.67037 0.00000
95 23H-5 0.00000 0.00000 0.00000 0.00000 0.67037
96 2 H 1S 0.00000 -0.02401 -0.00410 0.00000 -0.01102
97 2S 0.00000 0.88650 0.18566 0.00000 0.22784
98 3S 0.00000 -2.87333 0.52741 0.00000 -1.81367
99 4S 0.00000 -6.86282 -2.00255 0.00000 -3.50036
100 5S 0.00000 -0.07515 -0.00875 0.00000 0.12482
101 6PX -0.03454 0.00000 0.00000 0.03594 0.00000
102 6PY 0.00000 0.01974 -0.00364 0.00000 0.03132
103 6PZ 0.00000 -0.00845 -0.03805 0.00000 0.00838
104 7PX 0.26453 0.00000 0.00000 -0.26930 0.00000
105 7PY 0.00000 -0.11597 0.03311 0.00000 -0.27054
106 7PZ 0.00000 0.05674 0.27601 0.00000 -0.05957
107 8PX -0.03735 0.00000 0.00000 0.17285 0.00000
108 8PY 0.00000 1.40090 0.11317 0.00000 1.37994
109 8PZ 0.00000 -0.49631 -0.08508 0.00000 -0.40485
110 9PX 1.17280 0.00000 0.00000 -1.03402 0.00000
111 9PY 0.00000 3.97350 1.81230 0.00000 1.57306
112 9PZ 0.00000 -1.08259 0.56798 0.00000 -1.51224
113 10D 0 0.00000 -0.01310 0.12898 0.00000 0.06656
114 10D+1 0.07424 0.00000 0.00000 -0.03003 0.00000
115 10D-1 0.00000 0.01137 0.03340 0.00000 0.10028
116 10D+2 0.00000 0.10731 -0.04166 0.00000 -0.09664
117 10D-2 -0.05241 0.00000 0.00000 0.03104 0.00000
118 11D 0 0.00000 0.02739 -0.86448 0.00000 -0.41934
119 11D+1 -0.48292 0.00000 0.00000 0.19063 0.00000
120 11D-1 0.00000 -0.13103 -0.21865 0.00000 -0.68971
121 11D+2 0.00000 -0.78651 0.21017 0.00000 0.58424
122 11D-2 0.38613 0.00000 0.00000 -0.23288 0.00000
123 12D 0 0.00000 0.58675 1.35304 0.00000 0.14074
124 12D+1 0.73092 0.00000 0.00000 -0.04687 0.00000
125 12D-1 0.00000 0.76124 -0.11771 0.00000 1.40289
126 12D+2 0.00000 1.83763 0.43604 0.00000 0.43374
127 12D-2 -1.19495 0.00000 0.00000 0.89022 0.00000
128 13F 0 0.00000 -0.00698 0.00232 0.00000 0.00551
129 13F+1 0.00814 0.00000 0.00000 -0.03670 0.00000
130 13F-1 0.00000 0.02019 0.04994 0.00000 -0.04730
131 13F+2 0.00000 -0.00941 0.01328 0.00000 -0.04326
132 13F-2 0.04571 0.00000 0.00000 -0.00821 0.00000
133 13F+3 0.07999 0.00000 0.00000 -0.04992 0.00000
134 13F-3 0.00000 0.03690 0.00472 0.00000 0.03346
135 14F 0 0.00000 0.09044 -0.01005 0.00000 0.00378
136 14F+1 -0.05455 0.00000 0.00000 0.37073 0.00000
137 14F-1 0.00000 -0.20131 -0.50546 0.00000 0.37726
138 14F+2 0.00000 0.12693 -0.11920 0.00000 0.48463
139 14F-2 -0.42808 0.00000 0.00000 0.05838 0.00000
140 14F+3 -0.72920 0.00000 0.00000 0.45607 0.00000
141 14F-3 0.00000 -0.41327 -0.03121 0.00000 -0.39125
142 15G 0 0.00000 -0.00217 -0.00129 0.00000 0.00053
143 15G+1 0.00061 0.00000 0.00000 -0.00449 0.00000
144 15G-1 0.00000 -0.00971 -0.00116 0.00000 -0.00796
145 15G+2 0.00000 -0.00345 -0.00366 0.00000 -0.00452
146 15G-2 -0.00057 0.00000 0.00000 0.00037 0.00000
147 15G+3 0.00224 0.00000 0.00000 -0.00344 0.00000
148 15G-3 0.00000 -0.01007 -0.00254 0.00000 -0.00087
149 15G+4 0.00000 -0.00913 -0.00832 0.00000 -0.00684
150 15G-4 -0.00275 0.00000 0.00000 -0.00504 0.00000
151 3 H 1S 0.00000 -0.02401 -0.00410 -0.00954 0.00551
152 2S 0.00000 0.88650 0.18566 0.19731 -0.11392
153 3S 0.00000 -2.87333 0.52741 -1.57068 0.90684
154 4S 0.00000 -6.86282 -2.00255 -3.03140 1.75018
155 5S 0.00000 -0.07515 -0.00875 0.10810 -0.06241
156 6PX 0.01727 0.01709 -0.00315 0.03248 0.00200
157 6PY 0.02991 -0.00987 0.00182 0.00200 0.03479
158 6PZ 0.00000 -0.00845 -0.03805 0.00726 -0.00419
159 7PX -0.13226 -0.10043 0.02867 -0.27023 0.00054
160 7PY -0.22909 0.05799 -0.01655 0.00054 -0.26961
161 7PZ 0.00000 0.05674 0.27601 -0.05159 0.02979
162 8PX 0.01867 1.21322 0.09800 1.07817 -0.52269
163 8PY 0.03234 -0.70045 -0.05658 -0.52269 0.47462
164 8PZ 0.00000 -0.49631 -0.08508 -0.35061 0.20242
165 9PX -0.58640 3.44115 1.56950 0.92129 -1.12890
166 9PY -1.01568 -1.98675 -0.90615 -1.12890 -0.38225
167 9PZ 0.00000 -1.08259 0.56798 -1.30963 0.75612
168 10D 0 0.00000 -0.01310 0.12898 0.05764 -0.03328
169 10D+1 -0.03712 0.00985 0.02893 0.06770 -0.05643
170 10D-1 -0.06429 -0.00569 -0.01670 -0.05643 0.00254
171 10D+2 0.04539 -0.05365 0.02083 0.05529 -0.00088
172 10D-2 0.02621 0.09293 -0.03608 -0.06472 0.05529
173 11D 0 0.00000 0.02739 -0.86448 -0.36316 0.20967
174 11D+1 0.24146 -0.11348 -0.18935 -0.46962 0.38120
175 11D-1 0.41822 0.06552 0.10932 0.38120 -0.02945
176 11D+2 -0.33440 0.39326 -0.10509 -0.35382 -0.02860
177 11D-2 -0.19306 -0.68114 0.18201 0.37996 -0.35382
178 12D 0 0.00000 0.58675 1.35304 0.12188 -0.07037
179 12D+1 -0.36546 0.65925 -0.10194 1.04045 -0.62776
180 12D-1 -0.63300 -0.38062 0.05886 -0.62776 0.31557
181 12D+2 1.03485 -0.91882 -0.21802 0.19767 0.77610
182 12D-2 0.59747 1.59144 0.37762 0.54786 0.19767
183 13F 0 0.00000 -0.00698 0.00232 0.00477 -0.00275
184 13F+1 -0.00407 0.01749 0.04325 -0.04465 0.00459
185 13F-1 -0.00705 -0.01010 -0.02497 0.00459 -0.03935
186 13F+2 -0.03958 0.00470 -0.00664 0.01518 -0.01698
187 13F-2 -0.02285 -0.00815 0.01150 -0.03450 0.01518
188 13F+3 0.07999 0.00000 0.00000 0.02496 0.04324
189 13F-3 0.00000 0.03690 0.00472 0.02897 -0.01673
190 14F 0 0.00000 0.09044 -0.01005 0.00328 -0.00189
191 14F+1 0.02727 -0.17434 -0.43774 0.37563 -0.00283
192 14F-1 0.04724 0.10066 0.25273 -0.00283 0.37236
193 14F+2 0.37072 -0.06346 0.05960 -0.18457 0.16494
194 14F-2 0.21404 0.10992 -0.10323 0.37807 -0.18457
195 14F+3 -0.72920 0.00000 0.00000 -0.22804 -0.39497
196 14F-3 0.00000 -0.41327 -0.03121 -0.33883 0.19562
197 15G 0 0.00000 -0.00217 -0.00129 0.00046 -0.00026
198 15G+1 -0.00030 -0.00841 -0.00100 -0.00709 0.00150
199 15G-1 -0.00052 0.00485 0.00058 0.00150 -0.00535
200 15G+2 0.00049 0.00173 0.00183 0.00212 -0.00085
201 15G-2 0.00028 -0.00299 -0.00317 -0.00330 0.00212
202 15G+3 0.00224 0.00000 0.00000 0.00172 0.00297
203 15G-3 0.00000 -0.01007 -0.00254 -0.00076 0.00044
204 15G+4 -0.00238 0.00456 0.00416 0.00514 0.00207
205 15G-4 0.00137 0.00790 0.00721 0.00387 -0.00514
206 4 H 1S 0.00000 -0.02401 -0.00410 0.00954 0.00551
207 2S 0.00000 0.88650 0.18566 -0.19731 -0.11392
208 3S 0.00000 -2.87333 0.52741 1.57068 0.90684
209 4S 0.00000 -6.86282 -2.00255 3.03140 1.75018
210 5S 0.00000 -0.07515 -0.00875 -0.10810 -0.06241
211 6PX 0.01727 -0.01709 0.00315 0.03248 -0.00200
212 6PY -0.02991 -0.00987 0.00182 -0.00200 0.03479
213 6PZ 0.00000 -0.00845 -0.03805 -0.00726 -0.00419
214 7PX -0.13226 0.10043 -0.02867 -0.27023 -0.00054
215 7PY 0.22909 0.05799 -0.01655 -0.00054 -0.26961
216 7PZ 0.00000 0.05674 0.27601 0.05159 0.02979
217 8PX 0.01867 -1.21322 -0.09800 1.07817 0.52269
218 8PY -0.03234 -0.70045 -0.05658 0.52269 0.47462
219 8PZ 0.00000 -0.49631 -0.08508 0.35061 0.20242
220 9PX -0.58640 -3.44115 -1.56950 0.92129 1.12890
221 9PY 1.01568 -1.98675 -0.90615 1.12890 -0.38225
222 9PZ 0.00000 -1.08259 0.56798 1.30963 0.75612
223 10D 0 0.00000 -0.01310 0.12898 -0.05764 -0.03328
224 10D+1 -0.03712 -0.00985 -0.02893 0.06770 0.05643
225 10D-1 0.06429 -0.00569 -0.01670 0.05643 0.00254
226 10D+2 -0.04539 -0.05365 0.02083 -0.05529 -0.00088
227 10D-2 0.02621 -0.09293 0.03608 -0.06472 -0.05529
228 11D 0 0.00000 0.02739 -0.86448 0.36316 0.20967
229 11D+1 0.24146 0.11348 0.18935 -0.46962 -0.38120
230 11D-1 -0.41822 0.06552 0.10932 -0.38120 -0.02945
231 11D+2 0.33440 0.39326 -0.10509 0.35382 -0.02860
232 11D-2 -0.19306 0.68114 -0.18201 0.37996 0.35382
233 12D 0 0.00000 0.58675 1.35304 -0.12188 -0.07037
234 12D+1 -0.36546 -0.65925 0.10194 1.04045 0.62776
235 12D-1 0.63300 -0.38062 0.05886 0.62776 0.31557
236 12D+2 -1.03485 -0.91882 -0.21802 -0.19767 0.77610
237 12D-2 0.59747 -1.59144 -0.37762 0.54786 -0.19767
238 13F 0 0.00000 -0.00698 0.00232 -0.00477 -0.00275
239 13F+1 -0.00407 -0.01749 -0.04325 -0.04465 -0.00459
240 13F-1 0.00705 -0.01010 -0.02497 -0.00459 -0.03935
241 13F+2 0.03958 0.00470 -0.00664 -0.01518 -0.01698
242 13F-2 -0.02285 0.00815 -0.01150 -0.03450 -0.01518
243 13F+3 0.07999 0.00000 0.00000 0.02496 -0.04324
244 13F-3 0.00000 0.03690 0.00472 -0.02897 -0.01673
245 14F 0 0.00000 0.09044 -0.01005 -0.00328 -0.00189
246 14F+1 0.02727 0.17434 0.43774 0.37563 0.00283
247 14F-1 -0.04724 0.10066 0.25273 0.00283 0.37236
248 14F+2 -0.37072 -0.06346 0.05960 0.18457 0.16494
249 14F-2 0.21404 -0.10992 0.10323 0.37807 0.18457
250 14F+3 -0.72920 0.00000 0.00000 -0.22804 0.39497
251 14F-3 0.00000 -0.41327 -0.03121 0.33883 0.19562
252 15G 0 0.00000 -0.00217 -0.00129 -0.00046 -0.00026
253 15G+1 -0.00030 0.00841 0.00100 -0.00709 -0.00150
254 15G-1 0.00052 0.00485 0.00058 -0.00150 -0.00535
255 15G+2 -0.00049 0.00173 0.00183 -0.00212 -0.00085
256 15G-2 0.00028 0.00299 0.00317 -0.00330 -0.00212
257 15G+3 0.00224 0.00000 0.00000 0.00172 -0.00297
258 15G-3 0.00000 -0.01007 -0.00254 0.00076 0.00044
259 15G+4 0.00238 0.00456 0.00416 -0.00514 0.00207
260 15G-4 0.00137 -0.00790 -0.00721 0.00387 0.00514
156 157 158 159 160
(E)--V (E)--V (A2)--V (E)--V (E)--V
Eigenvalues -- 5.46262 5.46262 5.54254 5.75557 5.75557
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 6S 0.00000 0.00000 0.00000 0.00000 0.00000
7 7S 0.00000 0.00000 0.00000 0.00000 0.00000
8 8PX 0.00000 0.02075 0.00000 0.01016 0.00000
9 8PY 0.02075 0.00000 0.00000 0.00000 0.01016
10 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
11 9PX 0.00000 -0.09122 0.00000 -0.10140 0.00000
12 9PY -0.09122 0.00000 0.00000 0.00000 -0.10140
13 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
14 10PX 0.00000 -0.50623 0.00000 -0.20748 0.00000
15 10PY -0.50623 0.00000 0.00000 0.00000 -0.20748
16 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000
17 11PX 0.00000 2.08809 0.00000 -1.97922 0.00000
18 11PY 2.08809 0.00000 0.00000 0.00000 -1.97922
19 11PZ 0.00000 0.00000 0.00000 0.00000 0.00000
20 12PX 0.00000 0.00241 0.00000 -1.90848 0.00000
21 12PY 0.00241 0.00000 0.00000 0.00000 -1.90848
22 12PZ 0.00000 0.00000 0.00000 0.00000 0.00000
23 13PX 0.00000 0.01159 0.00000 -0.20731 0.00000
24 13PY 0.01159 0.00000 0.00000 0.00000 -0.20731
25 13PZ 0.00000 0.00000 0.00000 0.00000 0.00000
26 14D 0 0.00000 0.00000 0.00000 0.00000 0.00000
27 14D+1 0.00000 -0.03505 0.00000 0.79506 0.00000
28 14D-1 -0.03505 0.00000 0.00000 0.00000 0.79506
29 14D+2 0.76593 0.00000 0.00000 0.00000 0.52213
30 14D-2 0.00000 0.76593 0.00000 0.52213 0.00000
31 15D 0 0.00000 0.00000 0.00000 0.00000 0.00000
32 15D+1 0.00000 -1.04034 0.00000 0.73403 0.00000
33 15D-1 -1.04034 0.00000 0.00000 0.00000 0.73403
34 15D+2 1.93654 0.00000 0.00000 0.00000 1.00481
35 15D-2 0.00000 1.93654 0.00000 1.00481 0.00000
36 16D 0 0.00000 0.00000 0.00000 0.00000 0.00000
37 16D+1 0.00000 0.14522 0.00000 0.61356 0.00000
38 16D-1 0.14522 0.00000 0.00000 0.00000 0.61356
39 16D+2 -0.56219 0.00000 0.00000 0.00000 0.28082
40 16D-2 0.00000 -0.56219 0.00000 0.28082 0.00000
41 17D 0 0.00000 0.00000 0.00000 0.00000 0.00000
42 17D+1 0.00000 -0.07107 0.00000 -0.33906 0.00000
43 17D-1 -0.07107 0.00000 0.00000 0.00000 -0.33906
44 17D+2 0.23294 0.00000 0.00000 0.00000 -0.06753
45 17D-2 0.00000 0.23294 0.00000 -0.06753 0.00000
46 18F 0 0.00000 0.00000 0.00000 0.00000 0.00000
47 18F+1 0.00000 0.25236 0.00000 -0.20256 0.00000
48 18F-1 0.25236 0.00000 0.00000 0.00000 -0.20256
49 18F+2 -0.62992 0.00000 0.00000 0.00000 -0.29000
50 18F-2 0.00000 -0.62992 0.00000 -0.29000 0.00000
51 18F+3 0.00000 0.00000 -1.08668 0.00000 0.00000
52 18F-3 0.00000 0.00000 0.00000 0.00000 0.00000
53 19F 0 0.00000 0.00000 0.00000 0.00000 0.00000
54 19F+1 0.00000 0.12775 0.00000 -0.41516 0.00000
55 19F-1 0.12775 0.00000 0.00000 0.00000 -0.41516
56 19F+2 -0.44154 0.00000 0.00000 0.00000 -0.13910
57 19F-2 0.00000 -0.44154 0.00000 -0.13910 0.00000
58 19F+3 0.00000 0.00000 -0.57753 0.00000 0.00000
59 19F-3 0.00000 0.00000 0.00000 0.00000 0.00000
60 20F 0 0.00000 0.00000 0.00000 0.00000 0.00000
61 20F+1 0.00000 -0.07618 0.00000 0.13377 0.00000
62 20F-1 -0.07618 0.00000 0.00000 0.00000 0.13377
63 20F+2 -0.20417 0.00000 0.00000 0.00000 -0.10718
64 20F-2 0.00000 -0.20417 0.00000 -0.10718 0.00000
65 20F+3 0.00000 0.00000 0.70486 0.00000 0.00000
66 20F-3 0.00000 0.00000 0.00000 0.00000 0.00000
67 21G 0 0.00000 0.00000 0.00000 0.00000 0.00000
68 21G+1 0.00000 0.04793 0.00000 0.14947 0.00000
69 21G-1 0.04793 0.00000 0.00000 0.00000 0.14947
70 21G+2 0.20841 0.00000 0.00000 0.00000 0.17267
71 21G-2 0.00000 0.20841 0.00000 0.17267 0.00000
72 21G+3 0.00000 0.00000 1.45983 0.00000 0.00000
73 21G-3 0.00000 0.00000 0.00000 0.00000 0.00000
74 21G+4 -0.66784 0.00000 0.00000 0.00000 0.25214
75 21G-4 0.00000 0.66784 0.00000 -0.25214 0.00000
76 22G 0 0.00000 0.00000 0.00000 0.00000 0.00000
77 22G+1 0.00000 0.27997 0.00000 0.11240 0.00000
78 22G-1 0.27997 0.00000 0.00000 0.00000 0.11240
79 22G+2 -0.24282 0.00000 0.00000 0.00000 -0.33006
80 22G-2 0.00000 -0.24282 0.00000 -0.33006 0.00000
81 22G+3 0.00000 0.00000 -0.10254 0.00000 0.00000
82 22G-3 0.00000 0.00000 0.00000 0.00000 0.00000
83 22G+4 0.51337 0.00000 0.00000 0.00000 -0.27591
84 22G-4 0.00000 -0.51337 0.00000 0.27591 0.00000
85 23H 0 0.00000 0.00000 0.00000 0.00000 0.00000
86 23H+1 0.00000 -0.11245 0.00000 -0.26684 0.00000
87 23H-1 -0.11245 0.00000 0.00000 0.00000 -0.26684
88 23H+2 -0.03546 0.00000 0.00000 0.00000 -0.10963
89 23H-2 0.00000 -0.03546 0.00000 -0.10963 0.00000
90 23H+3 0.00000 0.00000 -1.20291 0.00000 0.00000
91 23H-3 0.00000 0.00000 0.00000 0.00000 0.00000
92 23H+4 0.00962 0.00000 0.00000 0.00000 0.01762
93 23H-4 0.00000 -0.00962 0.00000 -0.01762 0.00000
94 23H+5 0.00000 0.76699 0.00000 0.38236 0.00000
95 23H-5 -0.76699 0.00000 0.00000 0.00000 -0.38236
96 2 H 1S -0.00385 0.00000 0.00000 0.00000 0.00253
97 2S 0.20884 0.00000 0.00000 0.00000 -0.13315
98 3S 1.00486 0.00000 0.00000 0.00000 -0.26066
99 4S -1.03385 0.00000 0.00000 0.00000 4.25582
100 5S 0.04736 0.00000 0.00000 0.00000 0.07764
101 6PX 0.00000 0.02956 -0.00355 -0.03652 0.00000
102 6PY 0.00820 0.00000 0.00000 0.00000 -0.01657
103 6PZ 0.00215 0.00000 0.00000 0.00000 -0.01978
104 7PX 0.00000 -0.21334 0.02232 0.27563 0.00000
105 7PY -0.03406 0.00000 0.00000 0.00000 0.10444
106 7PZ -0.02534 0.00000 0.00000 0.00000 0.15236
107 8PX 0.00000 -0.14348 -0.23275 -0.41688 0.00000
108 8PY -0.17972 0.00000 0.00000 0.00000 -0.09931
109 8PZ 0.28087 0.00000 0.00000 0.00000 0.21127
110 9PX 0.00000 -1.24685 -0.96809 -0.09797 0.00000
111 9PY 1.20745 0.00000 0.00000 0.00000 -2.65885
112 9PZ -0.13516 0.00000 0.00000 0.00000 -0.19479
113 10D 0 0.03194 0.00000 0.00000 0.00000 -0.14159
114 10D+1 0.00000 0.18390 -0.08258 -0.00501 0.00000
115 10D-1 0.04167 0.00000 0.00000 0.00000 0.11225
116 10D+2 0.02911 0.00000 0.00000 0.00000 -0.11335
117 10D-2 0.00000 0.03673 0.03212 0.02612 0.00000
118 11D 0 -0.25039 0.00000 0.00000 0.00000 0.98713
119 11D+1 0.00000 -1.17632 0.54125 0.03756 0.00000
120 11D-1 -0.29496 0.00000 0.00000 0.00000 -0.72464
121 11D+2 -0.24819 0.00000 0.00000 0.00000 0.82729
122 11D-2 0.00000 -0.29170 -0.22466 -0.20778 0.00000
123 12D 0 0.79847 0.00000 0.00000 0.00000 -0.99061
124 12D+1 0.00000 0.71087 0.21651 -0.18017 0.00000
125 12D-1 0.29527 0.00000 0.00000 0.00000 0.31230
126 12D+2 0.25200 0.00000 0.00000 0.00000 -1.51891
127 12D-2 0.00000 1.28515 0.50667 0.26970 0.00000
128 13F 0 -0.02501 0.00000 0.00000 0.00000 -0.00090
129 13F+1 0.00000 -0.00418 -0.02031 0.00938 0.00000
130 13F-1 0.02192 0.00000 0.00000 0.00000 -0.00975
131 13F+2 -0.00248 0.00000 0.00000 0.00000 0.00900
132 13F-2 0.00000 -0.00929 0.07084 -0.00837 0.00000
133 13F+3 0.00000 -0.04969 -0.00557 0.00746 0.00000
134 13F-3 -0.02997 0.00000 0.00000 0.00000 -0.04947
135 14F 0 0.23675 0.00000 0.00000 0.00000 0.02712
136 14F+1 0.00000 0.09114 0.21907 -0.07063 0.00000
137 14F-1 -0.24518 0.00000 0.00000 0.00000 0.14075
138 14F+2 -0.01449 0.00000 0.00000 0.00000 -0.05277
139 14F-2 0.00000 0.06364 -0.70310 0.10176 0.00000
140 14F+3 0.00000 0.56433 0.05341 -0.03434 0.00000
141 14F-3 0.33511 0.00000 0.00000 0.00000 0.49980
142 15G 0 -0.00591 0.00000 0.00000 0.00000 -0.00546
143 15G+1 0.00000 0.00655 0.00410 0.00296 0.00000
144 15G-1 -0.00414 0.00000 0.00000 0.00000 0.00289
145 15G+2 -0.00436 0.00000 0.00000 0.00000 -0.00562
146 15G-2 0.00000 -0.00179 -0.00283 -0.00256 0.00000
147 15G+3 0.00000 0.00816 0.00451 -0.00360 0.00000
148 15G-3 -0.00014 0.00000 0.00000 0.00000 0.00338
149 15G+4 -0.00473 0.00000 0.00000 0.00000 -0.00655
150 15G-4 0.00000 -0.00764 -0.00053 -0.00588 0.00000
151 3 H 1S 0.00192 -0.00333 0.00000 0.00219 -0.00127
152 2S -0.10442 0.18086 0.00000 -0.11531 0.06657
153 3S -0.50243 0.87024 0.00000 -0.22574 0.13033
154 4S 0.51693 -0.89534 0.00000 3.68565 -2.12791
155 5S -0.02368 0.04101 0.00000 0.06724 -0.03882
156 6PX 0.00925 0.01354 0.00177 -0.02156 -0.00864
157 6PY 0.02422 0.00925 0.00307 -0.00864 -0.03153
158 6PZ -0.00107 0.00186 0.00000 -0.01713 0.00989
159 7PX -0.07763 -0.07888 -0.01116 0.14724 0.07412
160 7PY -0.16852 -0.07763 -0.01933 0.07412 0.23283
161 7PZ 0.01267 -0.02194 0.00000 0.13195 -0.07618
162 8PX 0.01569 -0.17066 0.11638 -0.17870 -0.13751
163 8PY -0.15254 0.01569 0.20157 -0.13751 -0.33749
164 8PZ -0.14043 0.24324 0.00000 0.18296 -0.10563
165 9PX -1.06274 0.59387 0.48404 -2.01863 1.10889
166 9PY -0.63328 -1.06274 0.83839 1.10889 -0.73819
167 9PZ 0.06758 -0.11706 0.00000 -0.16869 0.09739
168 10D 0 -0.01597 0.02766 0.00000 -0.12262 0.07079
169 10D+1 0.06158 0.07723 0.04129 0.08294 -0.05078
170 10D-1 0.14834 0.06158 0.07151 -0.05078 0.02431
171 10D+2 0.03483 0.00330 -0.02782 0.06039 -0.00874
172 10D-2 0.00330 0.03102 -0.01606 -0.07848 0.06039
173 11D 0 0.12519 -0.21684 0.00000 0.85488 -0.49356
174 11D+1 -0.38164 -0.51530 -0.27063 -0.53409 0.33004
175 11D-1 -0.95598 -0.38164 -0.46874 0.33004 -0.15299
176 11D+2 -0.28083 -0.01884 0.19456 -0.44820 0.05099
177 11D-2 -0.01884 -0.25907 0.11233 0.56852 -0.44820
178 12D 0 -0.39924 0.69150 0.00000 -0.85789 0.49531
179 12D+1 0.17996 0.39917 -0.10826 0.18918 -0.21324
180 12D-1 0.60697 0.17996 -0.18750 -0.21324 -0.05705
181 12D+2 1.02686 0.44737 -0.43879 0.77449 -0.17745
182 12D-2 0.44737 0.51029 -0.25334 -1.07176 0.77449
183 13F 0 0.01251 -0.02166 0.00000 -0.00078 0.00045
184 13F+1 -0.01130 0.01539 0.01016 -0.00497 0.00828
185 13F-1 0.00234 -0.01130 0.01759 0.00828 0.00460
186 13F+2 -0.00759 -0.00295 -0.06135 -0.00752 -0.00403
187 13F-2 -0.00295 -0.00418 -0.03542 0.00466 -0.00752
188 13F+3 0.04304 0.02485 -0.00557 -0.00373 -0.00646
189 13F-3 0.01499 -0.02596 0.00000 -0.04284 0.02473
190 14F 0 -0.11837 0.20503 0.00000 0.02348 -0.01356
191 14F+1 0.14563 -0.16110 -0.10953 0.08791 -0.09153
192 14F-1 0.00706 0.14563 -0.18972 -0.09153 -0.01778
193 14F+2 0.04411 0.03383 0.60890 0.06692 0.06313
194 14F-2 0.03383 0.00504 0.35155 -0.01414 0.06692
195 14F+3 -0.48873 -0.28217 0.05341 0.01717 0.02974
196 14F-3 -0.16755 0.29021 0.00000 0.43284 -0.24990
197 15G 0 0.00296 -0.00512 0.00000 -0.00473 0.00273
198 15G+1 0.00463 -0.00147 -0.00205 0.00291 0.00003
199 15G-1 0.00388 0.00463 -0.00355 0.00003 0.00294
200 15G+2 -0.00243 0.00112 0.00245 0.00133 -0.00333
201 15G-2 0.00112 -0.00372 0.00141 -0.00486 0.00133
202 15G+3 -0.00707 -0.00408 0.00451 0.00180 0.00312
203 15G-3 0.00007 -0.00012 0.00000 0.00293 -0.00169
204 15G+4 0.00455 0.00536 -0.00046 0.00538 0.00277
205 15G-4 -0.00536 0.00164 0.00027 0.00345 -0.00538
206 4 H 1S 0.00192 0.00333 0.00000 -0.00219 -0.00127
207 2S -0.10442 -0.18086 0.00000 0.11531 0.06657
208 3S -0.50243 -0.87024 0.00000 0.22574 0.13033
209 4S 0.51693 0.89534 0.00000 -3.68565 -2.12791
210 5S -0.02368 -0.04101 0.00000 -0.06724 -0.03882
211 6PX -0.00925 0.01354 0.00177 -0.02156 0.00864
212 6PY 0.02422 -0.00925 -0.00307 0.00864 -0.03153
213 6PZ -0.00107 -0.00186 0.00000 0.01713 0.00989
214 7PX 0.07763 -0.07888 -0.01116 0.14724 -0.07412
215 7PY -0.16852 0.07763 0.01933 -0.07412 0.23283
216 7PZ 0.01267 0.02194 0.00000 -0.13195 -0.07618
217 8PX -0.01569 -0.17066 0.11638 -0.17870 0.13751
218 8PY -0.15254 -0.01569 -0.20157 0.13751 -0.33749
219 8PZ -0.14043 -0.24324 0.00000 -0.18296 -0.10563
220 9PX 1.06274 0.59387 0.48404 -2.01863 -1.10889
221 9PY -0.63328 1.06274 -0.83839 -1.10889 -0.73819
222 9PZ 0.06758 0.11706 0.00000 0.16869 0.09739
223 10D 0 -0.01597 -0.02766 0.00000 0.12262 0.07079
224 10D+1 -0.06158 0.07723 0.04129 0.08294 0.05078
225 10D-1 0.14834 -0.06158 -0.07151 0.05078 0.02431
226 10D+2 0.03483 -0.00330 0.02782 -0.06039 -0.00874
227 10D-2 -0.00330 0.03102 -0.01606 -0.07848 -0.06039
228 11D 0 0.12519 0.21684 0.00000 -0.85488 -0.49356
229 11D+1 0.38164 -0.51530 -0.27063 -0.53409 -0.33004
230 11D-1 -0.95598 0.38164 0.46874 -0.33004 -0.15299
231 11D+2 -0.28083 0.01884 -0.19456 0.44820 0.05099
232 11D-2 0.01884 -0.25907 0.11233 0.56852 0.44820
233 12D 0 -0.39924 -0.69150 0.00000 0.85789 0.49531
234 12D+1 -0.17996 0.39917 -0.10826 0.18918 0.21324
235 12D-1 0.60697 -0.17996 0.18750 0.21324 -0.05705
236 12D+2 1.02686 -0.44737 0.43879 -0.77449 -0.17745
237 12D-2 -0.44737 0.51029 -0.25334 -1.07176 -0.77449
238 13F 0 0.01251 0.02166 0.00000 0.00078 0.00045
239 13F+1 0.01130 0.01539 0.01016 -0.00497 -0.00828
240 13F-1 0.00234 0.01130 -0.01759 -0.00828 0.00460
241 13F+2 -0.00759 0.00295 0.06135 0.00752 -0.00403
242 13F-2 0.00295 -0.00418 -0.03542 0.00466 0.00752
243 13F+3 -0.04304 0.02485 -0.00557 -0.00373 0.00646
244 13F-3 0.01499 0.02596 0.00000 0.04284 0.02473
245 14F 0 -0.11837 -0.20503 0.00000 -0.02348 -0.01356
246 14F+1 -0.14563 -0.16110 -0.10953 0.08791 0.09153
247 14F-1 0.00706 -0.14563 0.18972 0.09153 -0.01778
248 14F+2 0.04411 -0.03383 -0.60890 -0.06692 0.06313
249 14F-2 -0.03383 0.00504 0.35155 -0.01414 -0.06692
250 14F+3 0.48873 -0.28217 0.05341 0.01717 -0.02974
251 14F-3 -0.16755 -0.29021 0.00000 -0.43284 -0.24990
252 15G 0 0.00296 0.00512 0.00000 0.00473 0.00273
253 15G+1 -0.00463 -0.00147 -0.00205 0.00291 -0.00003
254 15G-1 0.00388 -0.00463 0.00355 -0.00003 0.00294
255 15G+2 -0.00243 -0.00112 -0.00245 -0.00133 -0.00333
256 15G-2 -0.00112 -0.00372 0.00141 -0.00486 -0.00133
257 15G+3 0.00707 -0.00408 0.00451 0.00180 -0.00312
258 15G-3 0.00007 0.00012 0.00000 -0.00293 -0.00169
259 15G+4 0.00455 -0.00536 0.00046 -0.00538 0.00277
260 15G-4 0.00536 0.00164 0.00027 0.00345 0.00538
161 162 163 164 165
(A2)--V (A1)--V (E)--V (E)--V (E)--V
Eigenvalues -- 5.92490 6.00396 6.05998 6.05998 6.29999
1 1 Si 1S 0.00000 -0.04459 0.00000 0.00000 0.00000
2 2S 0.00000 -0.00075 0.00000 0.00000 0.00000
3 3S 0.00000 -0.65421 0.00000 0.00000 0.00000
4 4S 0.00000 -1.28009 0.00000 0.00000 0.00000
5 5S 0.00000 -1.30095 0.00000 0.00000 0.00000
6 6S 0.00000 5.13565 0.00000 0.00000 0.00000
7 7S 0.00000 -0.48524 0.00000 0.00000 0.00000
8 8PX 0.00000 0.00000 -0.02009 0.00000 -0.03518
9 8PY 0.00000 0.00000 0.00000 -0.02009 0.00000
10 8PZ 0.00000 -0.00957 0.00000 0.00000 0.00000
11 9PX 0.00000 0.00000 0.39187 0.00000 0.34894
12 9PY 0.00000 0.00000 0.00000 0.39187 0.00000
13 9PZ 0.00000 0.05284 0.00000 0.00000 0.00000
14 10PX 0.00000 0.00000 1.79825 0.00000 1.85394
15 10PY 0.00000 0.00000 0.00000 1.79825 0.00000
16 10PZ 0.00000 0.37550 0.00000 0.00000 0.00000
17 11PX 0.00000 0.00000 -1.73077 0.00000 -3.10570
18 11PY 0.00000 0.00000 0.00000 -1.73077 0.00000
19 11PZ 0.00000 -0.84448 0.00000 0.00000 0.00000
20 12PX 0.00000 0.00000 0.96453 0.00000 -0.98489
21 12PY 0.00000 0.00000 0.00000 0.96453 0.00000
22 12PZ 0.00000 -1.63898 0.00000 0.00000 0.00000
23 13PX 0.00000 0.00000 0.33187 0.00000 0.09585
24 13PY 0.00000 0.00000 0.00000 0.33187 0.00000
25 13PZ 0.00000 0.20506 0.00000 0.00000 0.00000
26 14D 0 0.00000 -0.03886 0.00000 0.00000 0.00000
27 14D+1 0.00000 0.00000 -0.13385 0.00000 0.24549
28 14D-1 0.00000 0.00000 0.00000 -0.13385 0.00000
29 14D+2 0.00000 0.00000 0.00000 -0.77063 0.00000
30 14D-2 0.00000 0.00000 -0.77063 0.00000 0.74654
31 15D 0 0.00000 -1.22588 0.00000 0.00000 0.00000
32 15D+1 0.00000 0.00000 1.30918 0.00000 2.53013
33 15D-1 0.00000 0.00000 0.00000 1.30918 0.00000
34 15D+2 0.00000 0.00000 0.00000 2.55911 0.00000
35 15D-2 0.00000 0.00000 2.55911 0.00000 3.10959
36 16D 0 0.00000 0.80902 0.00000 0.00000 0.00000
37 16D+1 0.00000 0.00000 -0.46059 0.00000 -1.30003
38 16D-1 0.00000 0.00000 0.00000 -0.46059 0.00000
39 16D+2 0.00000 0.00000 0.00000 -1.51696 0.00000
40 16D-2 0.00000 0.00000 -1.51696 0.00000 -0.70624
41 17D 0 0.00000 -0.36991 0.00000 0.00000 0.00000
42 17D+1 0.00000 0.00000 0.14073 0.00000 0.79107
43 17D-1 0.00000 0.00000 0.00000 0.14073 0.00000
44 17D+2 0.00000 0.00000 0.00000 0.56265 0.00000
45 17D-2 0.00000 0.00000 0.56265 0.00000 0.33718
46 18F 0 0.00000 0.28463 0.00000 0.00000 0.00000
47 18F+1 0.00000 0.00000 -0.19445 0.00000 -0.14653
48 18F-1 0.00000 0.00000 0.00000 -0.19445 0.00000
49 18F+2 0.00000 0.00000 0.00000 0.08852 0.00000
50 18F-2 0.00000 0.00000 0.08852 0.00000 -0.61522
51 18F+3 0.69302 0.00000 0.00000 0.00000 0.00000
52 18F-3 0.00000 -0.19476 0.00000 0.00000 0.00000
53 19F 0 0.00000 0.65373 0.00000 0.00000 0.00000
54 19F+1 0.00000 0.00000 0.49393 0.00000 0.04631
55 19F-1 0.00000 0.00000 0.00000 0.49393 0.00000
56 19F+2 0.00000 0.00000 0.00000 -1.09508 0.00000
57 19F-2 0.00000 0.00000 -1.09508 0.00000 -1.64379
58 19F+3 1.35355 0.00000 0.00000 0.00000 0.00000
59 19F-3 0.00000 -0.77195 0.00000 0.00000 0.00000
60 20F 0 0.00000 0.01002 0.00000 0.00000 0.00000
61 20F+1 0.00000 0.00000 0.14678 0.00000 0.35497
62 20F-1 0.00000 0.00000 0.00000 0.14678 0.00000
63 20F+2 0.00000 0.00000 0.00000 0.15641 0.00000
64 20F-2 0.00000 0.00000 0.15641 0.00000 0.12488
65 20F+3 -0.60011 0.00000 0.00000 0.00000 0.00000
66 20F-3 0.00000 -0.05417 0.00000 0.00000 0.00000
67 21G 0 0.00000 0.04186 0.00000 0.00000 0.00000
68 21G+1 0.00000 0.00000 -0.33638 0.00000 -0.37112
69 21G-1 0.00000 0.00000 0.00000 -0.33638 0.00000
70 21G+2 0.00000 0.00000 0.00000 -0.25237 0.00000
71 21G-2 0.00000 0.00000 -0.25237 0.00000 0.53049
72 21G+3 -0.48800 0.00000 0.00000 0.00000 0.00000
73 21G-3 0.00000 0.20841 0.00000 0.00000 0.00000
74 21G+4 0.00000 0.00000 0.00000 0.34237 0.00000
75 21G-4 0.00000 0.00000 -0.34237 0.00000 0.19679
76 22G 0 0.00000 0.44900 0.00000 0.00000 0.00000
77 22G+1 0.00000 0.00000 -0.21531 0.00000 -0.29325
78 22G-1 0.00000 0.00000 0.00000 -0.21531 0.00000
79 22G+2 0.00000 0.00000 0.00000 -0.39591 0.00000
80 22G-2 0.00000 0.00000 -0.39591 0.00000 -0.17931
81 22G+3 0.81605 0.00000 0.00000 0.00000 0.00000
82 22G-3 0.00000 -0.06644 0.00000 0.00000 0.00000
83 22G+4 0.00000 0.00000 0.00000 -0.26461 0.00000
84 22G-4 0.00000 0.00000 0.26461 0.00000 0.78272
85 23H 0 0.00000 -0.32261 0.00000 0.00000 0.00000
86 23H+1 0.00000 0.00000 -0.13305 0.00000 0.10049
87 23H-1 0.00000 0.00000 0.00000 -0.13305 0.00000
88 23H+2 0.00000 0.00000 0.00000 0.38690 0.00000
89 23H-2 0.00000 0.00000 0.38690 0.00000 -0.00352
90 23H+3 -0.50560 0.00000 0.00000 0.00000 0.00000
91 23H-3 0.00000 0.70523 0.00000 0.00000 0.00000
92 23H+4 0.00000 0.00000 0.00000 -0.38048 0.00000
93 23H-4 0.00000 0.00000 0.38048 0.00000 -0.44495
94 23H+5 0.00000 0.00000 0.69194 0.00000 -0.29193
95 23H-5 0.00000 0.00000 0.00000 -0.69194 0.00000
96 2 H 1S 0.00000 -0.00210 0.00000 0.01103 0.00000
97 2S 0.00000 0.11504 0.00000 -0.33582 0.00000
98 3S 0.00000 -1.26874 0.00000 3.51236 0.00000
99 4S 0.00000 -1.00496 0.00000 -3.21986 0.00000
100 5S 0.00000 0.17877 0.00000 -0.19626 0.00000
101 6PX 0.04092 0.00000 0.00003 0.00000 -0.03418
102 6PY 0.00000 0.00968 0.00000 -0.02523 0.00000
103 6PZ 0.00000 0.04070 0.00000 0.00054 0.00000
104 7PX -0.32424 0.00000 -0.00237 0.00000 0.29761
105 7PY 0.00000 -0.09269 0.00000 0.27239 0.00000
106 7PZ 0.00000 -0.31222 0.00000 -0.02002 0.00000
107 8PX 0.31707 0.00000 -0.85894 0.00000 0.20281
108 8PY 0.00000 0.44413 0.00000 -1.74788 0.00000
109 8PZ 0.00000 -0.32444 0.00000 0.84707 0.00000
110 9PX 0.92859 0.00000 0.33292 0.00000 -1.00320
111 9PY 0.00000 0.38796 0.00000 1.70049 0.00000
112 9PZ 0.00000 0.39459 0.00000 -0.97173 0.00000
113 10D 0 0.00000 0.05578 0.00000 -0.01159 0.00000
114 10D+1 0.02470 0.00000 0.01855 0.00000 -0.02211
115 10D-1 0.00000 -0.14214 0.00000 0.14786 0.00000
116 10D+2 0.00000 0.00762 0.00000 0.10176 0.00000
117 10D-2 -0.12947 0.00000 -0.13621 0.00000 0.16020
118 11D 0 0.00000 -0.37871 0.00000 0.04052 0.00000
119 11D+1 -0.17677 0.00000 -0.11389 0.00000 0.16165
120 11D-1 0.00000 0.98882 0.00000 -1.05786 0.00000
121 11D+2 0.00000 -0.03510 0.00000 -0.76628 0.00000
122 11D-2 0.92759 0.00000 0.91802 0.00000 -1.15390
123 12D 0 0.00000 0.39662 0.00000 0.02244 0.00000
124 12D+1 0.46934 0.00000 -0.13379 0.00000 0.10328
125 12D-1 0.00000 -0.67503 0.00000 0.84021 0.00000
126 12D+2 0.00000 -0.06797 0.00000 0.99598 0.00000
127 12D-2 -0.83048 0.00000 -0.53648 0.00000 1.04515
128 13F 0 0.00000 0.00264 0.00000 -0.02007 0.00000
129 13F+1 -0.01683 0.00000 0.00907 0.00000 -0.00491
130 13F-1 0.00000 0.01117 0.00000 0.01542 0.00000
131 13F+2 0.00000 0.00460 0.00000 -0.01718 0.00000
132 13F-2 0.02261 0.00000 0.00371 0.00000 0.01833
133 13F+3 -0.02997 0.00000 0.03015 0.00000 0.00883
134 13F-3 0.00000 -0.01769 0.00000 0.04824 0.00000
135 14F 0 0.00000 -0.05020 0.00000 0.13190 0.00000
136 14F+1 0.15096 0.00000 -0.12964 0.00000 0.08484
137 14F-1 0.00000 -0.17581 0.00000 -0.07337 0.00000
138 14F+2 0.00000 -0.05446 0.00000 0.13905 0.00000
139 14F-2 -0.25932 0.00000 -0.00421 0.00000 -0.17823
140 14F+3 0.19985 0.00000 -0.32531 0.00000 0.06231
141 14F-3 0.00000 0.17503 0.00000 -0.41179 0.00000
142 15G 0 0.00000 0.00811 0.00000 -0.00963 0.00000
143 15G+1 0.00149 0.00000 0.00300 0.00000 -0.00202
144 15G-1 0.00000 -0.00624 0.00000 0.00751 0.00000
145 15G+2 0.00000 0.00863 0.00000 -0.00010 0.00000
146 15G-2 0.00737 0.00000 -0.00400 0.00000 0.00854
147 15G+3 0.00468 0.00000 0.00937 0.00000 0.00458
148 15G-3 0.00000 -0.00351 0.00000 0.00466 0.00000
149 15G+4 0.00000 -0.00300 0.00000 0.01403 0.00000
150 15G-4 0.00790 0.00000 -0.02031 0.00000 0.00627
151 3 H 1S 0.00000 -0.00210 0.00955 -0.00551 0.01378
152 2S 0.00000 0.11504 -0.29083 0.16791 -0.52529
153 3S 0.00000 -1.26874 3.04179 -1.75618 3.60150
154 4S 0.00000 -1.00496 -2.78848 1.60993 0.33490
155 5S 0.00000 0.17877 -0.16996 0.09813 -0.04752
156 6PX -0.02046 0.00838 -0.01892 0.01094 -0.05781
157 6PY -0.03544 -0.00484 0.01094 -0.00628 0.01364
158 6PZ 0.00000 0.04070 0.00046 -0.00027 -0.00300
159 7PX 0.16212 -0.08028 0.20370 -0.11897 0.50687
160 7PY 0.28080 0.04635 -0.11897 0.06632 -0.12082
161 7PZ 0.00000 -0.31222 -0.01734 0.01001 0.01827
162 8PX -0.15854 0.38462 -1.52565 0.38492 -1.83054
163 8PY -0.27459 -0.22206 0.38492 -1.08118 1.17396
164 8PZ 0.00000 -0.32444 0.73358 -0.42353 0.19705
165 9PX -0.46430 0.33598 1.35860 -0.59218 -0.15886
166 9PY -0.80419 -0.19398 -0.59218 0.67481 -0.48748
167 9PZ 0.00000 0.39459 -0.84154 0.48586 -0.57059
168 10D 0 0.00000 0.05578 -0.01004 0.00580 0.03308
169 10D+1 -0.01235 -0.12309 0.11553 -0.05599 0.04347
170 10D-1 -0.02139 0.07107 -0.05599 0.05088 -0.03786
171 10D+2 0.11213 -0.00381 -0.10304 -0.07672 0.04170
172 10D-2 0.06474 0.00660 0.04227 -0.10304 0.08798
173 11D 0 0.00000 -0.37871 0.03509 -0.02026 -0.21609
174 11D+1 0.08838 0.85635 -0.82187 0.40875 -0.35353
175 11D-1 0.15308 -0.49441 0.40875 -0.34988 0.29744
176 11D+2 -0.80332 0.01755 0.72932 0.49695 -0.30407
177 11D-2 -0.46379 -0.03040 -0.34520 0.72932 -0.62725
178 12D 0 0.00000 0.39662 0.01943 -0.01122 -0.01018
179 12D+1 -0.23467 -0.58459 0.59671 -0.42175 0.40265
180 12D-1 -0.40646 0.33751 -0.42175 0.10971 -0.17284
181 12D+2 0.71922 0.03398 -0.66357 -0.15336 0.45347
182 12D-2 0.41524 -0.05886 0.61286 -0.66357 0.25973
183 13F 0 0.00000 0.00264 -0.01738 0.01004 -0.00160
184 13F+1 0.00842 0.00967 0.01383 -0.00275 0.02143
185 13F-1 0.01458 -0.00558 -0.00275 0.01066 -0.01521
186 13F+2 -0.01958 -0.00230 0.00905 -0.00152 0.01076
187 13F-2 -0.01130 0.00398 -0.01196 0.00905 -0.00031
188 13F+3 -0.02997 0.00000 -0.01507 -0.02611 -0.00442
189 13F-3 0.00000 -0.01769 0.04178 -0.02412 0.01718
190 14F 0 0.00000 -0.05020 0.11423 -0.06595 -0.05795
191 14F+1 -0.07548 -0.15225 -0.08744 -0.02436 -0.16540
192 14F-1 -0.13073 0.08790 -0.02436 -0.11557 0.14448
193 14F+2 0.22457 0.02723 -0.06204 0.03160 -0.09576
194 14F-2 0.12966 -0.04716 0.10324 -0.06204 -0.01237
195 14F+3 0.19985 0.00000 0.16265 0.28172 -0.03116
196 14F-3 0.00000 0.17503 -0.35662 0.20590 -0.03146
197 15G 0 0.00000 0.00811 -0.00834 0.00481 0.01389
198 15G+1 -0.00074 -0.00540 0.00638 -0.00195 0.00094
199 15G-1 -0.00129 0.00312 -0.00195 0.00412 -0.00171
200 15G+2 -0.00638 -0.00431 -0.00169 -0.00302 -0.00255
201 15G-2 -0.00368 0.00747 -0.00108 -0.00169 0.01295
202 15G+3 0.00468 0.00000 -0.00469 -0.00812 -0.00229
203 15G-3 0.00000 -0.00351 0.00403 -0.00233 0.00115
204 15G+4 0.00684 0.00150 0.00272 0.01874 -0.00379
205 15G-4 -0.00395 0.00260 -0.01560 -0.00272 -0.00029
206 4 H 1S 0.00000 -0.00210 -0.00955 -0.00551 -0.01378
207 2S 0.00000 0.11504 0.29083 0.16791 0.52529
208 3S 0.00000 -1.26874 -3.04179 -1.75618 -3.60150
209 4S 0.00000 -1.00496 2.78848 1.60993 -0.33490
210 5S 0.00000 0.17877 0.16996 0.09813 0.04752
211 6PX -0.02046 -0.00838 -0.01892 -0.01094 -0.05781
212 6PY 0.03544 -0.00484 -0.01094 -0.00628 -0.01364
213 6PZ 0.00000 0.04070 -0.00046 -0.00027 0.00300
214 7PX 0.16212 0.08028 0.20370 0.11897 0.50687
215 7PY -0.28080 0.04635 0.11897 0.06632 0.12082
216 7PZ 0.00000 -0.31222 0.01734 0.01001 -0.01827
217 8PX -0.15854 -0.38462 -1.52565 -0.38492 -1.83054
218 8PY 0.27459 -0.22206 -0.38492 -1.08118 -1.17396
219 8PZ 0.00000 -0.32444 -0.73358 -0.42353 -0.19705
220 9PX -0.46430 -0.33598 1.35860 0.59218 -0.15886
221 9PY 0.80419 -0.19398 0.59218 0.67481 0.48748
222 9PZ 0.00000 0.39459 0.84154 0.48586 0.57059
223 10D 0 0.00000 0.05578 0.01004 0.00580 -0.03308
224 10D+1 -0.01235 0.12309 0.11553 0.05599 0.04347
225 10D-1 0.02139 0.07107 0.05599 0.05088 0.03786
226 10D+2 -0.11213 -0.00381 0.10304 -0.07672 -0.04170
227 10D-2 0.06474 -0.00660 0.04227 0.10304 0.08798
228 11D 0 0.00000 -0.37871 -0.03509 -0.02026 0.21609
229 11D+1 0.08838 -0.85635 -0.82187 -0.40875 -0.35353
230 11D-1 -0.15308 -0.49441 -0.40875 -0.34988 -0.29744
231 11D+2 0.80332 0.01755 -0.72932 0.49695 0.30407
232 11D-2 -0.46379 0.03040 -0.34520 -0.72932 -0.62725
233 12D 0 0.00000 0.39662 -0.01943 -0.01122 0.01018
234 12D+1 -0.23467 0.58459 0.59671 0.42175 0.40265
235 12D-1 0.40646 0.33751 0.42175 0.10971 0.17284
236 12D+2 -0.71922 0.03398 0.66357 -0.15336 -0.45347
237 12D-2 0.41524 0.05886 0.61286 0.66357 0.25973
238 13F 0 0.00000 0.00264 0.01738 0.01004 0.00160
239 13F+1 0.00842 -0.00967 0.01383 0.00275 0.02143
240 13F-1 -0.01458 -0.00558 0.00275 0.01066 0.01521
241 13F+2 0.01958 -0.00230 -0.00905 -0.00152 -0.01076
242 13F-2 -0.01130 -0.00398 -0.01196 -0.00905 -0.00031
243 13F+3 -0.02997 0.00000 -0.01507 0.02611 -0.00442
244 13F-3 0.00000 -0.01769 -0.04178 -0.02412 -0.01718
245 14F 0 0.00000 -0.05020 -0.11423 -0.06595 0.05795
246 14F+1 -0.07548 0.15225 -0.08744 0.02436 -0.16540
247 14F-1 0.13073 0.08790 0.02436 -0.11557 -0.14448
248 14F+2 -0.22457 0.02723 0.06204 0.03160 0.09576
249 14F-2 0.12966 0.04716 0.10324 0.06204 -0.01237
250 14F+3 0.19985 0.00000 0.16265 -0.28172 -0.03116
251 14F-3 0.00000 0.17503 0.35662 0.20590 0.03146
252 15G 0 0.00000 0.00811 0.00834 0.00481 -0.01389
253 15G+1 -0.00074 0.00540 0.00638 0.00195 0.00094
254 15G-1 0.00129 0.00312 0.00195 0.00412 0.00171
255 15G+2 0.00638 -0.00431 0.00169 -0.00302 0.00255
256 15G-2 -0.00368 -0.00747 -0.00108 0.00169 0.01295
257 15G+3 0.00468 0.00000 -0.00469 0.00812 -0.00229
258 15G-3 0.00000 -0.00351 -0.00403 -0.00233 -0.00115
259 15G+4 -0.00684 0.00150 -0.00272 0.01874 0.00379
260 15G-4 -0.00395 -0.00260 -0.01560 0.00272 -0.00029
166 167 168 169 170
(E)--V (A1)--V (E)--V (E)--V (A1)--V
Eigenvalues -- 6.29999 6.44812 6.46101 6.46101 6.62809
1 1 Si 1S 0.00000 -0.11273 0.00000 0.00000 0.01349
2 2S 0.00000 0.02772 0.00000 0.00000 -0.02131
3 3S 0.00000 -1.76814 0.00000 0.00000 0.07693
4 4S 0.00000 -3.96692 0.00000 0.00000 -0.72903
5 5S 0.00000 -2.07634 0.00000 0.00000 0.71597
6 6S 0.00000 13.33749 0.00000 0.00000 8.99268
7 7S 0.00000 -0.58718 0.00000 0.00000 -0.40368
8 8PX 0.00000 0.00000 -0.01631 0.00000 0.00000
9 8PY -0.03518 0.00000 0.00000 -0.01631 0.00000
10 8PZ 0.00000 -0.02121 0.00000 0.00000 -0.00548
11 9PX 0.00000 0.00000 0.07435 0.00000 0.00000
12 9PY 0.34894 0.00000 0.00000 0.07435 0.00000
13 9PZ 0.00000 0.15313 0.00000 0.00000 -0.01771
14 10PX 0.00000 0.00000 0.34950 0.00000 0.00000
15 10PY 1.85394 0.00000 0.00000 0.34950 0.00000
16 10PZ 0.00000 0.75198 0.00000 0.00000 0.17894
17 11PX 0.00000 0.00000 -0.16144 0.00000 0.00000
18 11PY -3.10570 0.00000 0.00000 -0.16144 0.00000
19 11PZ 0.00000 -0.89344 0.00000 0.00000 -1.51736
20 12PX 0.00000 0.00000 1.04808 0.00000 0.00000
21 12PY -0.98489 0.00000 0.00000 1.04808 0.00000
22 12PZ 0.00000 -1.61849 0.00000 0.00000 -1.58189
23 13PX 0.00000 0.00000 0.07480 0.00000 0.00000
24 13PY 0.09585 0.00000 0.00000 0.07480 0.00000
25 13PZ 0.00000 0.15481 0.00000 0.00000 0.14092
26 14D 0 0.00000 -0.96973 0.00000 0.00000 -0.49676
27 14D+1 0.00000 0.00000 -0.35227 0.00000 0.00000
28 14D-1 0.24549 0.00000 0.00000 -0.35227 0.00000
29 14D+2 0.74654 0.00000 0.00000 -0.17879 0.00000
30 14D-2 0.00000 0.00000 -0.17879 0.00000 0.00000
31 15D 0 0.00000 -4.72704 0.00000 0.00000 -1.60429
32 15D+1 0.00000 0.00000 -1.99255 0.00000 0.00000
33 15D-1 2.53013 0.00000 0.00000 -1.99255 0.00000
34 15D+2 3.10959 0.00000 0.00000 3.63987 0.00000
35 15D-2 0.00000 0.00000 3.63987 0.00000 0.00000
36 16D 0 0.00000 2.01073 0.00000 0.00000 0.90220
37 16D+1 0.00000 0.00000 1.29013 0.00000 0.00000
38 16D-1 -1.30003 0.00000 0.00000 1.29013 0.00000
39 16D+2 -0.70624 0.00000 0.00000 -1.52645 0.00000
40 16D-2 0.00000 0.00000 -1.52645 0.00000 0.00000
41 17D 0 0.00000 -1.07348 0.00000 0.00000 -0.86210
42 17D+1 0.00000 0.00000 -0.96669 0.00000 0.00000
43 17D-1 0.79107 0.00000 0.00000 -0.96669 0.00000
44 17D+2 0.33718 0.00000 0.00000 0.82249 0.00000
45 17D-2 0.00000 0.00000 0.82249 0.00000 0.00000
46 18F 0 0.00000 0.35788 0.00000 0.00000 0.23972
47 18F+1 0.00000 0.00000 0.06068 0.00000 0.00000
48 18F-1 -0.14653 0.00000 0.00000 0.06068 0.00000
49 18F+2 -0.61522 0.00000 0.00000 0.19502 0.00000
50 18F-2 0.00000 0.00000 0.19502 0.00000 0.00000
51 18F+3 0.00000 0.00000 0.00000 0.00000 0.00000
52 18F-3 0.00000 -1.04047 0.00000 0.00000 -0.47920
53 19F 0 0.00000 1.04229 0.00000 0.00000 0.25605
54 19F+1 0.00000 0.00000 1.05118 0.00000 0.00000
55 19F-1 0.04631 0.00000 0.00000 1.05118 0.00000
56 19F+2 -1.64379 0.00000 0.00000 -0.43501 0.00000
57 19F-2 0.00000 0.00000 -0.43501 0.00000 0.00000
58 19F+3 0.00000 0.00000 0.00000 0.00000 0.00000
59 19F-3 0.00000 -3.36240 0.00000 0.00000 -0.63651
60 20F 0 0.00000 0.13934 0.00000 0.00000 0.13417
61 20F+1 0.00000 0.00000 -0.08099 0.00000 0.00000
62 20F-1 0.35497 0.00000 0.00000 -0.08099 0.00000
63 20F+2 0.12488 0.00000 0.00000 -0.01544 0.00000
64 20F-2 0.00000 0.00000 -0.01544 0.00000 0.00000
65 20F+3 0.00000 0.00000 0.00000 0.00000 0.00000
66 20F-3 0.00000 -0.12021 0.00000 0.00000 -0.03783
67 21G 0 0.00000 0.66302 0.00000 0.00000 0.08049
68 21G+1 0.00000 0.00000 0.12614 0.00000 0.00000
69 21G-1 -0.37112 0.00000 0.00000 0.12614 0.00000
70 21G+2 0.53049 0.00000 0.00000 -0.68822 0.00000
71 21G-2 0.00000 0.00000 -0.68822 0.00000 0.00000
72 21G+3 0.00000 0.00000 0.00000 0.00000 0.00000
73 21G-3 0.00000 0.68498 0.00000 0.00000 0.21946
74 21G+4 -0.19679 0.00000 0.00000 0.41092 0.00000
75 21G-4 0.00000 0.00000 -0.41092 0.00000 0.00000
76 22G 0 0.00000 0.11423 0.00000 0.00000 -0.14155
77 22G+1 0.00000 0.00000 -0.05191 0.00000 0.00000
78 22G-1 -0.29325 0.00000 0.00000 -0.05191 0.00000
79 22G+2 -0.17931 0.00000 0.00000 -0.13452 0.00000
80 22G-2 0.00000 0.00000 -0.13452 0.00000 0.00000
81 22G+3 0.00000 0.00000 0.00000 0.00000 0.00000
82 22G-3 0.00000 0.51105 0.00000 0.00000 -0.16688
83 22G+4 -0.78272 0.00000 0.00000 0.01532 0.00000
84 22G-4 0.00000 0.00000 -0.01532 0.00000 0.00000
85 23H 0 0.00000 -0.32690 0.00000 0.00000 0.13066
86 23H+1 0.00000 0.00000 -0.22600 0.00000 0.00000
87 23H-1 0.10049 0.00000 0.00000 -0.22600 0.00000
88 23H+2 -0.00352 0.00000 0.00000 0.19919 0.00000
89 23H-2 0.00000 0.00000 0.19919 0.00000 0.00000
90 23H+3 0.00000 0.00000 0.00000 0.00000 0.00000
91 23H-3 0.00000 0.24076 0.00000 0.00000 -0.03776
92 23H+4 0.44495 0.00000 0.00000 -0.24088 0.00000
93 23H-4 0.00000 0.00000 0.24088 0.00000 0.00000
94 23H+5 0.00000 0.00000 0.34710 0.00000 0.00000
95 23H-5 0.29193 0.00000 0.00000 -0.34710 0.00000
96 2 H 1S 0.01591 -0.02923 0.00000 0.00665 0.04645
97 2S -0.60656 0.47724 0.00000 -0.15481 0.36147
98 3S 4.15866 -4.26513 0.00000 1.41777 -0.93703
99 4S 0.38671 -2.34657 0.00000 -1.31719 -3.60662
100 5S -0.05487 0.17778 0.00000 -0.02197 0.40963
101 6PX 0.00000 0.00000 -0.11691 0.00000 0.00000
102 6PY -0.06569 -0.03328 0.00000 0.02365 0.12169
103 6PZ -0.00346 -0.05804 0.00000 0.09127 -0.02702
104 7PX 0.00000 0.00000 0.95761 0.00000 0.00000
105 7PY 0.57662 0.26579 0.00000 -0.17885 -1.03265
106 7PZ 0.02110 0.47843 0.00000 -0.75131 0.23744
107 8PX 0.00000 0.00000 -1.60413 0.00000 0.00000
108 8PY -2.50833 1.28511 0.00000 -0.28420 1.30095
109 8PZ 0.22754 -1.27862 0.00000 1.46444 -0.30576
110 9PX 0.00000 0.00000 -0.74869 0.00000 0.00000
111 9PY 0.12259 0.46795 0.00000 0.72728 1.41784
112 9PZ -0.65886 -0.82287 0.00000 0.57564 -0.54073
113 10D 0 0.03820 -0.06211 0.00000 0.01962 0.01579
114 10D+1 0.00000 0.00000 -0.00990 0.00000 0.00000
115 10D-1 0.06533 -0.02564 0.00000 -0.00343 0.03033
116 10D+2 0.06390 -0.07586 0.00000 0.03390 0.03930
117 10D-2 0.00000 0.00000 0.02298 0.00000 0.00000
118 11D 0 -0.24952 0.48002 0.00000 -0.20020 -0.10359
119 11D+1 0.00000 0.00000 0.10884 0.00000 0.00000
120 11D-1 -0.52525 0.14823 0.00000 0.09192 -0.24844
121 11D+2 -0.45169 0.57079 0.00000 -0.28644 -0.28440
122 11D-2 0.00000 0.00000 -0.26346 0.00000 0.00000
123 12D 0 -0.01175 -0.62635 0.00000 0.55430 0.27922
124 12D+1 0.00000 0.00000 -0.44760 0.00000 0.00000
125 12D-1 0.50244 0.47614 0.00000 -0.78888 0.44222
126 12D+2 -0.00208 -0.42304 0.00000 0.56698 0.71235
127 12D-2 0.00000 0.00000 1.21402 0.00000 0.00000
128 13F 0 -0.00185 0.00395 0.00000 -0.00375 0.00335
129 13F+1 0.00000 0.00000 -0.00160 0.00000 0.00000
130 13F-1 0.03022 -0.00422 0.00000 0.00215 0.00716
131 13F+2 -0.00652 0.01054 0.00000 -0.00604 0.00273
132 13F-2 0.00000 0.00000 -0.00223 0.00000 0.00000
133 13F+3 0.00000 0.00000 -0.00251 0.00000 0.00000
134 13F-3 0.01984 -0.00993 0.00000 0.01211 0.00799
135 14F 0 -0.06692 0.02794 0.00000 -0.04805 0.02159
136 14F+1 0.00000 0.00000 0.06054 0.00000 0.00000
137 14F-1 -0.24881 0.15051 0.00000 -0.13776 -0.11310
138 14F+2 0.04292 -0.02746 0.00000 -0.01190 0.04044
139 14F-2 0.00000 0.00000 0.10451 0.00000 0.00000
140 14F+3 0.00000 0.00000 0.21209 0.00000 0.00000
141 14F-3 -0.03633 0.08651 0.00000 -0.14018 -0.18078
142 15G 0 0.01604 0.00297 0.00000 -0.01130 0.00630
143 15G+1 0.00000 0.00000 0.00409 0.00000 0.00000
144 15G-1 0.00192 -0.00874 0.00000 0.00265 -0.00206
145 15G+2 0.01442 0.00440 0.00000 -0.01535 0.00755
146 15G-2 0.00000 0.00000 -0.00197 0.00000 0.00000
147 15G+3 0.00000 0.00000 0.01058 0.00000 0.00000
148 15G-3 0.00133 -0.01231 0.00000 0.00968 0.00217
149 15G+4 0.00248 0.00231 0.00000 -0.00060 0.00717
150 15G-4 0.00000 0.00000 -0.01916 0.00000 0.00000
151 3 H 1S -0.00795 -0.02923 0.00576 -0.00332 0.04645
152 2S 0.30328 0.47724 -0.13407 0.07740 0.36147
153 3S -2.07933 -4.26513 1.22782 -0.70888 -0.93703
154 4S -0.19336 -2.34657 -1.14072 0.65860 -3.60662
155 5S 0.02744 0.17778 -0.01903 0.01099 0.40963
156 6PX 0.01364 -0.02882 -0.01149 -0.06086 0.10539
157 6PY -0.04206 0.01664 -0.06086 -0.08177 -0.06084
158 6PZ 0.00173 -0.05804 0.07904 -0.04563 -0.02702
159 7PX -0.12082 0.23018 0.10526 0.49210 -0.89430
160 7PY 0.36736 -0.13290 0.49210 0.67349 0.51633
161 7PZ -0.01055 0.47843 -0.65065 0.37565 0.23744
162 8PX 1.17396 1.11294 -0.61418 -0.57154 1.12666
163 8PY -0.47497 -0.64256 -0.57154 -1.27415 -0.65048
164 8PZ -0.11377 -1.27862 1.26824 -0.73222 -0.30576
165 9PX -0.48748 0.40526 0.35829 -0.63911 1.22788
166 9PY -0.72175 -0.23398 -0.63911 -0.37969 -0.70892
167 9PZ 0.32943 -0.82287 0.49852 -0.28782 -0.54073
168 10D 0 -0.01910 -0.06211 0.01699 -0.00981 0.01579
169 10D+1 -0.03786 -0.02220 -0.00505 -0.00280 0.02627
170 10D-1 -0.00025 0.01282 -0.00280 -0.00828 -0.01517
171 10D+2 0.13613 0.03793 -0.00473 0.02571 -0.01965
172 10D-2 0.04170 -0.06570 0.03117 -0.00473 0.03404
173 11D 0 0.12476 0.48002 -0.17338 0.10010 -0.10359
174 11D+1 0.29744 0.12837 0.09615 0.00733 -0.21515
175 11D-1 -0.01008 -0.07412 0.00733 0.10461 0.12422
176 11D+2 -0.97835 -0.28539 0.00995 -0.26920 0.14220
177 11D-2 -0.30407 0.49432 -0.28069 0.00995 -0.24629
178 12D 0 0.00588 -0.62635 0.48004 -0.27715 0.27922
179 12D+1 -0.17284 0.41235 -0.70356 0.14778 0.38297
180 12D-1 0.20307 -0.23807 0.14778 -0.53292 -0.22111
181 12D+2 0.78334 0.21152 0.28018 1.05226 -0.35617
182 12D-2 0.45347 -0.36636 0.72874 0.28018 0.61691
183 13F 0 0.00093 0.00395 -0.00325 0.00188 0.00335
184 13F+1 -0.01521 -0.00365 0.00121 -0.00162 0.00620
185 13F-1 0.00387 0.00211 -0.00162 -0.00066 -0.00358
186 13F+2 0.01212 -0.00527 0.00165 -0.00318 -0.00137
187 13F-2 0.01076 0.00913 -0.00509 0.00165 0.00237
188 13F+3 -0.00765 0.00000 0.00125 0.00217 0.00000
189 13F-3 -0.00992 -0.00993 0.01049 -0.00606 0.00799
190 14F 0 0.03346 0.02794 -0.04161 0.02402 0.02159
191 14F+1 0.14448 0.13035 -0.08819 0.08587 -0.09794
192 14F-1 0.00143 -0.07526 0.08587 0.01097 0.05655
193 14F+2 -0.12295 0.01373 0.05041 0.07541 -0.02022
194 14F-2 -0.09576 -0.02378 0.01720 0.05041 0.03502
195 14F+3 -0.05396 0.00000 -0.10605 -0.18368 0.00000
196 14F-3 0.01817 0.08651 -0.12140 0.07009 -0.18078
197 15G 0 -0.00802 0.00297 -0.00979 0.00565 0.00630
198 15G+1 -0.00171 -0.00757 0.00301 0.00062 -0.00178
199 15G-1 -0.00104 0.00437 0.00062 0.00373 0.00103
200 15G+2 0.01001 -0.00220 0.00579 -0.00532 -0.00377
201 15G-2 -0.00255 0.00381 -0.01200 0.00579 0.00654
202 15G+3 -0.00397 0.00000 -0.00529 -0.00916 0.00000
203 15G-3 -0.00066 -0.01231 0.00838 -0.00484 0.00217
204 15G+4 -0.00408 -0.00115 0.00856 0.01422 -0.00359
205 15G-4 0.00379 -0.00200 -0.00434 -0.00856 -0.00621
206 4 H 1S -0.00795 -0.02923 -0.00576 -0.00332 0.04645
207 2S 0.30328 0.47724 0.13407 0.07740 0.36147
208 3S -2.07933 -4.26513 -1.22782 -0.70888 -0.93703
209 4S -0.19336 -2.34657 1.14072 0.65860 -3.60662
210 5S 0.02744 0.17778 0.01903 0.01099 0.40963
211 6PX -0.01364 0.02882 -0.01149 0.06086 -0.10539
212 6PY -0.04206 0.01664 0.06086 -0.08177 -0.06084
213 6PZ 0.00173 -0.05804 -0.07904 -0.04563 -0.02702
214 7PX 0.12082 -0.23018 0.10526 -0.49210 0.89430
215 7PY 0.36736 -0.13290 -0.49210 0.67349 0.51633
216 7PZ -0.01055 0.47843 0.65065 0.37565 0.23744
217 8PX -1.17396 -1.11294 -0.61418 0.57154 -1.12666
218 8PY -0.47497 -0.64256 0.57154 -1.27415 -0.65048
219 8PZ -0.11377 -1.27862 -1.26824 -0.73222 -0.30576
220 9PX 0.48748 -0.40526 0.35829 0.63911 -1.22788
221 9PY -0.72175 -0.23398 0.63911 -0.37969 -0.70892
222 9PZ 0.32943 -0.82287 -0.49852 -0.28782 -0.54073
223 10D 0 -0.01910 -0.06211 -0.01699 -0.00981 0.01579
224 10D+1 0.03786 0.02220 -0.00505 0.00280 -0.02627
225 10D-1 -0.00025 0.01282 0.00280 -0.00828 -0.01517
226 10D+2 0.13613 0.03793 0.00473 0.02571 -0.01965
227 10D-2 -0.04170 0.06570 0.03117 0.00473 -0.03404
228 11D 0 0.12476 0.48002 0.17338 0.10010 -0.10359
229 11D+1 -0.29744 -0.12837 0.09615 -0.00733 0.21515
230 11D-1 -0.01008 -0.07412 -0.00733 0.10461 0.12422
231 11D+2 -0.97835 -0.28539 -0.00995 -0.26920 0.14220
232 11D-2 0.30407 -0.49432 -0.28069 -0.00995 0.24629
233 12D 0 0.00588 -0.62635 -0.48004 -0.27715 0.27922
234 12D+1 0.17284 -0.41235 -0.70356 -0.14778 -0.38297
235 12D-1 0.20307 -0.23807 -0.14778 -0.53292 -0.22111
236 12D+2 0.78334 0.21152 -0.28018 1.05226 -0.35617
237 12D-2 -0.45347 0.36636 0.72874 -0.28018 -0.61691
238 13F 0 0.00093 0.00395 0.00325 0.00188 0.00335
239 13F+1 0.01521 0.00365 0.00121 0.00162 -0.00620
240 13F-1 0.00387 0.00211 0.00162 -0.00066 -0.00358
241 13F+2 0.01212 -0.00527 -0.00165 -0.00318 -0.00137
242 13F-2 -0.01076 -0.00913 -0.00509 -0.00165 -0.00237
243 13F+3 0.00765 0.00000 0.00125 -0.00217 0.00000
244 13F-3 -0.00992 -0.00993 -0.01049 -0.00606 0.00799
245 14F 0 0.03346 0.02794 0.04161 0.02402 0.02159
246 14F+1 -0.14448 -0.13035 -0.08819 -0.08587 0.09794
247 14F-1 0.00143 -0.07526 -0.08587 0.01097 0.05655
248 14F+2 -0.12295 0.01373 -0.05041 0.07541 -0.02022
249 14F-2 0.09576 0.02378 0.01720 -0.05041 -0.03502
250 14F+3 0.05396 0.00000 -0.10605 0.18368 0.00000
251 14F-3 0.01817 0.08651 0.12140 0.07009 -0.18078
252 15G 0 -0.00802 0.00297 0.00979 0.00565 0.00630
253 15G+1 0.00171 0.00757 0.00301 -0.00062 0.00178
254 15G-1 -0.00104 0.00437 -0.00062 0.00373 0.00103
255 15G+2 0.01001 -0.00220 -0.00579 -0.00532 -0.00377
256 15G-2 0.00255 -0.00381 -0.01200 -0.00579 -0.00654
257 15G+3 0.00397 0.00000 -0.00529 0.00916 0.00000
258 15G-3 -0.00066 -0.01231 -0.00838 -0.00484 0.00217
259 15G+4 -0.00408 -0.00115 -0.00856 0.01422 -0.00359
260 15G-4 -0.00379 0.00200 -0.00434 0.00856 0.00621
171 172 173 174 175
(E)--V (E)--V (A1)--V (E)--V (E)--V
Eigenvalues -- 6.84296 6.84296 6.98381 7.06602 7.06602
1 1 Si 1S 0.00000 0.00000 0.00587 0.00000 0.00000
2 2S 0.00000 0.00000 0.01023 0.00000 0.00000
3 3S 0.00000 0.00000 0.08631 0.00000 0.00000
4 4S 0.00000 0.00000 0.17956 0.00000 0.00000
5 5S 0.00000 0.00000 -1.20783 0.00000 0.00000
6 6S 0.00000 0.00000 4.86700 0.00000 0.00000
7 7S 0.00000 0.00000 -0.29827 0.00000 0.00000
8 8PX 0.04560 0.00000 0.00000 -0.00935 0.00000
9 8PY 0.00000 0.04560 0.00000 0.00000 -0.00935
10 8PZ 0.00000 0.00000 0.06846 0.00000 0.00000
11 9PX -0.12553 0.00000 0.00000 0.01456 0.00000
12 9PY 0.00000 -0.12553 0.00000 0.00000 0.01456
13 9PZ 0.00000 0.00000 -0.25381 0.00000 0.00000
14 10PX -0.26986 0.00000 0.00000 0.09804 0.00000
15 10PY 0.00000 -0.26986 0.00000 0.00000 0.09804
16 10PZ 0.00000 0.00000 -1.67641 0.00000 0.00000
17 11PX -2.49965 0.00000 0.00000 -0.04632 0.00000
18 11PY 0.00000 -2.49965 0.00000 0.00000 -0.04632
19 11PZ 0.00000 0.00000 3.43669 0.00000 0.00000
20 12PX -3.80210 0.00000 0.00000 0.35500 0.00000
21 12PY 0.00000 -3.80210 0.00000 0.00000 0.35500
22 12PZ 0.00000 0.00000 0.18982 0.00000 0.00000
23 13PX 0.05765 0.00000 0.00000 -0.00817 0.00000
24 13PY 0.00000 0.05765 0.00000 0.00000 -0.00817
25 13PZ 0.00000 0.00000 -0.02713 0.00000 0.00000
26 14D 0 0.00000 0.00000 -0.39369 0.00000 0.00000
27 14D+1 0.65150 0.00000 0.00000 0.22711 0.00000
28 14D-1 0.00000 0.65150 0.00000 0.00000 0.22711
29 14D+2 0.00000 0.90738 0.00000 0.00000 -0.13502
30 14D-2 0.90738 0.00000 0.00000 -0.13502 0.00000
31 15D 0 0.00000 0.00000 -3.35881 0.00000 0.00000
32 15D+1 -0.10793 0.00000 0.00000 3.59924 0.00000
33 15D-1 0.00000 -0.10793 0.00000 0.00000 3.59924
34 15D+2 0.00000 -1.40677 0.00000 0.00000 -1.40321
35 15D-2 -1.40677 0.00000 0.00000 -1.40321 0.00000
36 16D 0 0.00000 0.00000 0.24298 0.00000 0.00000
37 16D+1 0.44734 0.00000 0.00000 -0.06159 0.00000
38 16D-1 0.00000 0.44734 0.00000 0.00000 -0.06159
39 16D+2 0.00000 0.19059 0.00000 0.00000 -0.32707
40 16D-2 0.19059 0.00000 0.00000 -0.32707 0.00000
41 17D 0 0.00000 0.00000 0.16950 0.00000 0.00000
42 17D+1 -0.02641 0.00000 0.00000 -0.36109 0.00000
43 17D-1 0.00000 -0.02641 0.00000 0.00000 -0.36109
44 17D+2 0.00000 0.49552 0.00000 0.00000 0.40535
45 17D-2 0.49552 0.00000 0.00000 0.40535 0.00000
46 18F 0 0.00000 0.00000 0.11343 0.00000 0.00000
47 18F+1 0.20183 0.00000 0.00000 -0.08849 0.00000
48 18F-1 0.00000 0.20183 0.00000 0.00000 -0.08849
49 18F+2 0.00000 -0.25346 0.00000 0.00000 -0.09750
50 18F-2 -0.25346 0.00000 0.00000 -0.09750 0.00000
51 18F+3 0.00000 0.00000 0.00000 0.00000 0.00000
52 18F-3 0.00000 0.00000 -0.18407 0.00000 0.00000
53 19F 0 0.00000 0.00000 -1.06340 0.00000 0.00000
54 19F+1 0.37891 0.00000 0.00000 -2.18240 0.00000
55 19F-1 0.00000 0.37891 0.00000 0.00000 -2.18240
56 19F+2 0.00000 1.48820 0.00000 0.00000 -1.75936
57 19F-2 1.48820 0.00000 0.00000 -1.75936 0.00000
58 19F+3 0.00000 0.00000 0.00000 0.00000 0.00000
59 19F-3 0.00000 0.00000 -1.50329 0.00000 0.00000
60 20F 0 0.00000 0.00000 -0.36899 0.00000 0.00000
61 20F+1 0.08933 0.00000 0.00000 -0.30586 0.00000
62 20F-1 0.00000 0.08933 0.00000 0.00000 -0.30586
63 20F+2 0.00000 -0.04531 0.00000 0.00000 -0.10102
64 20F-2 -0.04531 0.00000 0.00000 -0.10102 0.00000
65 20F+3 0.00000 0.00000 0.00000 0.00000 0.00000
66 20F-3 0.00000 0.00000 -0.06638 0.00000 0.00000
67 21G 0 0.00000 0.00000 0.89348 0.00000 0.00000
68 21G+1 0.12961 0.00000 0.00000 -0.28054 0.00000
69 21G-1 0.00000 0.12961 0.00000 0.00000 -0.28054
70 21G+2 0.00000 -0.07678 0.00000 0.00000 1.06644
71 21G-2 -0.07678 0.00000 0.00000 1.06644 0.00000
72 21G+3 0.00000 0.00000 0.00000 0.00000 0.00000
73 21G-3 0.00000 0.00000 -0.51831 0.00000 0.00000
74 21G+4 0.00000 -0.40536 0.00000 0.00000 0.17986
75 21G-4 0.40536 0.00000 0.00000 -0.17986 0.00000
76 22G 0 0.00000 0.00000 1.12051 0.00000 0.00000
77 22G+1 0.20562 0.00000 0.00000 -0.31040 0.00000
78 22G-1 0.00000 0.20562 0.00000 0.00000 -0.31040
79 22G+2 0.00000 0.11807 0.00000 0.00000 0.87925
80 22G-2 0.11807 0.00000 0.00000 0.87925 0.00000
81 22G+3 0.00000 0.00000 0.00000 0.00000 0.00000
82 22G-3 0.00000 0.00000 -0.87061 0.00000 0.00000
83 22G+4 0.00000 -0.13803 0.00000 0.00000 -0.02620
84 22G-4 0.13803 0.00000 0.00000 0.02620 0.00000
85 23H 0 0.00000 0.00000 -0.11160 0.00000 0.00000
86 23H+1 -0.17043 0.00000 0.00000 0.71529 0.00000
87 23H-1 0.00000 -0.17043 0.00000 0.00000 0.71529
88 23H+2 0.00000 -0.37046 0.00000 0.00000 -0.08027
89 23H-2 -0.37046 0.00000 0.00000 -0.08027 0.00000
90 23H+3 0.00000 0.00000 0.00000 0.00000 0.00000
91 23H-3 0.00000 0.00000 1.04135 0.00000 0.00000
92 23H+4 0.00000 -0.11973 0.00000 0.00000 0.38188
93 23H-4 0.11973 0.00000 0.00000 -0.38188 0.00000
94 23H+5 -0.63186 0.00000 0.00000 -0.49798 0.00000
95 23H-5 0.00000 0.63186 0.00000 0.00000 0.49798
96 2 H 1S 0.00000 -0.07669 0.02082 0.00000 -0.00616
97 2S 0.00000 -0.32011 0.04757 0.00000 -0.11693
98 3S 0.00000 -1.47523 -0.25261 0.00000 0.54335
99 4S 0.00000 6.03198 -1.62780 0.00000 -0.28340
100 5S 0.00000 -0.47217 0.17107 0.00000 -0.00692
101 6PX 0.10852 0.00000 0.00000 0.01771 0.00000
102 6PY 0.00000 -0.13055 -0.02054 0.00000 -0.07850
103 6PZ 0.00000 0.09193 -0.14301 0.00000 -0.19669
104 7PX -0.92353 0.00000 0.00000 -0.14203 0.00000
105 7PY 0.00000 1.12074 0.16667 0.00000 0.69036
106 7PZ 0.00000 -0.78871 1.20652 0.00000 1.70566
107 8PX 1.65563 0.00000 0.00000 0.50448 0.00000
108 8PY 0.00000 -0.35428 -0.55247 0.00000 -1.42264
109 8PZ 0.00000 0.84331 -2.39027 0.00000 -3.27674
110 9PX 0.58285 0.00000 0.00000 0.10773 0.00000
111 9PY 0.00000 -2.30407 0.43690 0.00000 -0.25127
112 9PZ 0.00000 1.01615 -0.92429 0.00000 -1.33375
113 10D 0 0.00000 -0.03130 0.02912 0.00000 0.01755
114 10D+1 -0.00949 0.00000 0.00000 -0.00490 0.00000
115 10D-1 0.00000 -0.05758 -0.02857 0.00000 -0.01465
116 10D+2 0.00000 -0.08138 0.03826 0.00000 0.00579
117 10D-2 -0.00042 0.00000 0.00000 0.03030 0.00000
118 11D 0 0.00000 0.23481 -0.21740 0.00000 -0.15821
119 11D+1 0.07662 0.00000 0.00000 0.04494 0.00000
120 11D-1 0.00000 0.45777 0.24005 0.00000 0.12479
121 11D+2 0.00000 0.62953 -0.28479 0.00000 -0.05823
122 11D-2 0.00723 0.00000 0.00000 -0.24410 0.00000
123 12D 0 0.00000 -0.27245 -0.71088 0.00000 -1.17865
124 12D+1 0.38147 0.00000 0.00000 0.25468 0.00000
125 12D-1 0.00000 -1.10017 1.32371 0.00000 2.01006
126 12D+2 0.00000 -1.01080 -0.28995 0.00000 -0.67619
127 12D-2 -1.09134 0.00000 0.00000 -0.24207 0.00000
128 13F 0 0.00000 0.01075 -0.02055 0.00000 -0.02429
129 13F+1 -0.00226 0.00000 0.00000 -0.00071 0.00000
130 13F-1 0.00000 -0.00065 -0.04290 0.00000 -0.05519
131 13F+2 0.00000 0.00800 -0.03677 0.00000 -0.04178
132 13F-2 0.02354 0.00000 0.00000 0.01689 0.00000
133 13F+3 0.02332 0.00000 0.00000 0.01570 0.00000
134 13F-3 0.00000 -0.00926 -0.02488 0.00000 -0.01163
135 14F 0 0.00000 -0.17917 0.25812 0.00000 0.32303
136 14F+1 0.00020 0.00000 0.00000 -0.03280 0.00000
137 14F-1 0.00000 0.03287 0.60061 0.00000 0.77622
138 14F+2 0.00000 -0.22251 0.46859 0.00000 0.63222
139 14F-2 -0.30970 0.00000 0.00000 -0.21674 0.00000
140 14F+3 -0.42077 0.00000 0.00000 -0.21133 0.00000
141 14F-3 0.00000 0.16688 0.27413 0.00000 0.24517
142 15G 0 0.00000 0.00089 -0.00471 0.00000 -0.01246
143 15G+1 -0.00133 0.00000 0.00000 0.00076 0.00000
144 15G-1 0.00000 -0.00910 0.00525 0.00000 0.00358
145 15G+2 0.00000 -0.00468 -0.00895 0.00000 -0.01722
146 15G-2 0.00260 0.00000 0.00000 -0.00041 0.00000
147 15G+3 0.00969 0.00000 0.00000 0.01364 0.00000
148 15G-3 0.00000 -0.00316 0.01135 0.00000 0.01135
149 15G+4 0.00000 -0.01048 -0.00772 0.00000 -0.00420
150 15G-4 -0.00629 0.00000 0.00000 -0.00190 0.00000
151 3 H 1S -0.06641 0.03834 0.02082 -0.00533 0.00308
152 2S -0.27723 0.16006 0.04757 -0.10126 0.05847
153 3S -1.27759 0.73762 -0.25261 0.47056 -0.27168
154 4S 5.22385 -3.01599 -1.62780 -0.24544 0.14170
155 5S -0.40891 0.23608 0.17107 -0.00600 0.00346
156 6PX -0.07079 0.10352 -0.01779 -0.05445 0.04166
157 6PY 0.10352 0.04875 0.01027 0.04166 -0.00634
158 6PZ 0.07962 -0.04597 -0.14301 -0.17034 0.09835
159 7PX 0.60967 -0.88519 0.14434 0.48226 -0.36044
160 7PY -0.88519 -0.41246 -0.08334 -0.36044 0.06606
161 7PZ -0.68304 0.39435 1.20652 1.47715 -0.85283
162 8PX 0.14819 0.87032 -0.47846 -0.94086 0.83447
163 8PY 0.87032 1.15315 0.27624 0.83447 0.02270
164 8PZ 0.73033 -0.42166 -2.39027 -2.83774 1.63837
165 9PX -1.58234 1.25007 0.37837 -0.16152 0.15545
166 9PY 1.25007 -0.13888 -0.21845 0.15545 0.01798
167 9PZ 0.88001 -0.50808 -0.92429 -1.15506 0.66687
168 10D 0 -0.02711 0.01565 0.02912 0.01520 -0.00877
169 10D+1 -0.04555 0.02082 -0.02474 -0.01221 0.00422
170 10D-1 0.02082 -0.02151 0.01429 0.00422 -0.00734
171 10D+2 0.03506 -0.02066 -0.01913 0.01061 0.02418
172 10D-2 -0.06114 0.03506 0.03313 0.01192 0.01061
173 11D 0 0.20335 -0.11741 -0.21740 -0.13702 0.07911
174 11D+1 0.36248 -0.16504 0.20789 0.10483 -0.03458
175 11D-1 -0.16504 0.17191 -0.12002 -0.03458 0.06490
176 11D+2 -0.26946 0.16281 0.14239 -0.08048 -0.19763
177 11D-2 0.47395 -0.26946 -0.24663 -0.10470 -0.08048
178 12D 0 -0.23595 0.13622 -0.71088 -1.02074 0.58933
179 12D+1 -0.72976 0.64157 1.14636 1.57121 -0.76010
180 12D-1 0.64157 0.01106 -0.66185 -0.76010 0.69352
181 12D+2 -0.03487 -1.07121 0.14497 0.18798 -0.35060
182 12D-2 -1.03094 -0.03487 -0.25110 -0.56766 0.18798
183 13F 0 0.00931 -0.00537 -0.02055 -0.02104 0.01215
184 13F+1 -0.00105 -0.00070 -0.03715 -0.04157 0.02359
185 13F-1 -0.00070 -0.00186 0.02145 0.02359 -0.01433
186 13F+2 0.00673 0.01966 0.01838 0.02541 0.00222
187 13F-2 0.01189 0.00673 -0.03184 -0.02712 0.02541
188 13F+3 -0.01166 -0.02019 0.00000 -0.00785 -0.01360
189 13F-3 -0.00802 0.00463 -0.02488 -0.01007 0.00582
190 14F 0 -0.15516 0.08958 0.25812 0.27976 -0.16152
191 14F+1 0.02470 -0.01414 0.52014 0.57396 -0.35031
192 14F-1 -0.01414 0.00837 -0.30030 -0.35031 0.16946
193 14F+2 -0.03776 -0.28790 -0.23429 -0.36761 -0.00450
194 14F-2 -0.24431 -0.03776 0.40581 0.41998 -0.36761
195 14F+3 0.21038 0.36439 0.00000 0.10566 0.18302
196 14F-3 0.14452 -0.08344 0.27413 0.21233 -0.12259
197 15G 0 0.00077 -0.00044 -0.00471 -0.01079 0.00623
198 15G+1 -0.00716 0.00337 0.00455 0.00288 -0.00122
199 15G-1 0.00337 -0.00327 -0.00263 -0.00122 0.00147
200 15G+2 0.00316 0.00078 0.00448 0.00728 -0.00461
201 15G-2 -0.00286 0.00316 -0.00775 -0.01302 0.00728
202 15G+3 -0.00484 -0.00839 0.00000 -0.00682 -0.01181
203 15G-3 -0.00274 0.00158 0.01135 0.00983 -0.00567
204 15G+4 0.00726 0.00210 0.00386 0.00264 0.00038
205 15G-4 0.00629 -0.00726 0.00669 0.00267 -0.00264
206 4 H 1S 0.06641 0.03834 0.02082 0.00533 0.00308
207 2S 0.27723 0.16006 0.04757 0.10126 0.05847
208 3S 1.27759 0.73762 -0.25261 -0.47056 -0.27168
209 4S -5.22385 -3.01599 -1.62780 0.24544 0.14170
210 5S 0.40891 0.23608 0.17107 0.00600 0.00346
211 6PX -0.07079 -0.10352 0.01779 -0.05445 -0.04166
212 6PY -0.10352 0.04875 0.01027 -0.04166 -0.00634
213 6PZ -0.07962 -0.04597 -0.14301 0.17034 0.09835
214 7PX 0.60967 0.88519 -0.14434 0.48226 0.36044
215 7PY 0.88519 -0.41246 -0.08334 0.36044 0.06606
216 7PZ 0.68304 0.39435 1.20652 -1.47715 -0.85283
217 8PX 0.14819 -0.87032 0.47846 -0.94086 -0.83447
218 8PY -0.87032 1.15315 0.27624 -0.83447 0.02270
219 8PZ -0.73033 -0.42166 -2.39027 2.83774 1.63837
220 9PX -1.58234 -1.25007 -0.37837 -0.16152 -0.15545
221 9PY -1.25007 -0.13888 -0.21845 -0.15545 0.01798
222 9PZ -0.88001 -0.50808 -0.92429 1.15506 0.66687
223 10D 0 0.02711 0.01565 0.02912 -0.01520 -0.00877
224 10D+1 -0.04555 -0.02082 0.02474 -0.01221 -0.00422
225 10D-1 -0.02082 -0.02151 0.01429 -0.00422 -0.00734
226 10D+2 -0.03506 -0.02066 -0.01913 -0.01061 0.02418
227 10D-2 -0.06114 -0.03506 -0.03313 0.01192 -0.01061
228 11D 0 -0.20335 -0.11741 -0.21740 0.13702 0.07911
229 11D+1 0.36248 0.16504 -0.20789 0.10483 0.03458
230 11D-1 0.16504 0.17191 -0.12002 0.03458 0.06490
231 11D+2 0.26946 0.16281 0.14239 0.08048 -0.19763
232 11D-2 0.47395 0.26946 0.24663 -0.10470 0.08048
233 12D 0 0.23595 0.13622 -0.71088 1.02074 0.58933
234 12D+1 -0.72976 -0.64157 -1.14636 1.57121 0.76010
235 12D-1 -0.64157 0.01106 -0.66185 0.76010 0.69352
236 12D+2 0.03487 -1.07121 0.14497 -0.18798 -0.35060
237 12D-2 -1.03094 0.03487 0.25110 -0.56766 -0.18798
238 13F 0 -0.00931 -0.00537 -0.02055 0.02104 0.01215
239 13F+1 -0.00105 0.00070 0.03715 -0.04157 -0.02359
240 13F-1 0.00070 -0.00186 0.02145 -0.02359 -0.01433
241 13F+2 -0.00673 0.01966 0.01838 -0.02541 0.00222
242 13F-2 0.01189 -0.00673 0.03184 -0.02712 -0.02541
243 13F+3 -0.01166 0.02019 0.00000 -0.00785 0.01360
244 13F-3 0.00802 0.00463 -0.02488 0.01007 0.00582
245 14F 0 0.15516 0.08958 0.25812 -0.27976 -0.16152
246 14F+1 0.02470 0.01414 -0.52014 0.57396 0.35031
247 14F-1 0.01414 0.00837 -0.30030 0.35031 0.16946
248 14F+2 0.03776 -0.28790 -0.23429 0.36761 -0.00450
249 14F-2 -0.24431 0.03776 -0.40581 0.41998 0.36761
250 14F+3 0.21038 -0.36439 0.00000 0.10566 -0.18302
251 14F-3 -0.14452 -0.08344 0.27413 -0.21233 -0.12259
252 15G 0 -0.00077 -0.00044 -0.00471 0.01079 0.00623
253 15G+1 -0.00716 -0.00337 -0.00455 0.00288 0.00122
254 15G-1 -0.00337 -0.00327 -0.00263 0.00122 0.00147
255 15G+2 -0.00316 0.00078 0.00448 -0.00728 -0.00461
256 15G-2 -0.00286 -0.00316 0.00775 -0.01302 -0.00728
257 15G+3 -0.00484 0.00839 0.00000 -0.00682 0.01181
258 15G-3 0.00274 0.00158 0.01135 -0.00983 -0.00567
259 15G+4 -0.00726 0.00210 0.00386 -0.00264 0.00038
260 15G-4 0.00629 0.00726 -0.00669 0.00267 0.00264
176 177 178 179 180
(E)--V (E)--V (A2)--V (A1)--V (E)--V
Eigenvalues -- 7.24038 7.24038 7.30190 8.46859 8.67716
1 1 Si 1S 0.00000 0.00000 0.00000 -0.12686 0.00000
2 2S 0.00000 0.00000 0.00000 0.03411 0.00000
3 3S 0.00000 0.00000 0.00000 -2.76197 0.00000
4 4S 0.00000 0.00000 0.00000 -10.14253 0.00000
5 5S 0.00000 0.00000 0.00000 12.71500 0.00000
6 6S 0.00000 0.00000 0.00000 10.23561 0.00000
7 7S 0.00000 0.00000 0.00000 -0.39585 0.00000
8 8PX 0.00000 0.03871 0.00000 0.00000 -0.06703
9 8PY 0.03871 0.00000 0.00000 0.00000 0.00000
10 8PZ 0.00000 0.00000 0.00000 0.07618 0.00000
11 9PX 0.00000 -0.20263 0.00000 0.00000 -0.47165
12 9PY -0.20263 0.00000 0.00000 0.00000 0.00000
13 9PZ 0.00000 0.00000 0.00000 0.25738 0.00000
14 10PX 0.00000 -1.15680 0.00000 0.00000 -3.53281
15 10PY -1.15680 0.00000 0.00000 0.00000 0.00000
16 10PZ 0.00000 0.00000 0.00000 1.59702 0.00000
17 11PX 0.00000 1.69771 0.00000 0.00000 12.90948
18 11PY 1.69771 0.00000 0.00000 0.00000 0.00000
19 11PZ 0.00000 0.00000 0.00000 -5.86388 0.00000
20 12PX 0.00000 0.54290 0.00000 0.00000 5.94896
21 12PY 0.54290 0.00000 0.00000 0.00000 0.00000
22 12PZ 0.00000 0.00000 0.00000 -1.83077 0.00000
23 13PX 0.00000 0.17648 0.00000 0.00000 -0.10485
24 13PY 0.17648 0.00000 0.00000 0.00000 0.00000
25 13PZ 0.00000 0.00000 0.00000 0.10856 0.00000
26 14D 0 0.00000 0.00000 0.00000 -0.32944 0.00000
27 14D+1 0.00000 -0.14782 0.00000 0.00000 -0.89584
28 14D-1 -0.14782 0.00000 0.00000 0.00000 0.00000
29 14D+2 0.03323 0.00000 0.00000 0.00000 0.00000
30 14D-2 0.00000 0.03323 0.00000 0.00000 -1.27012
31 15D 0 0.00000 0.00000 0.00000 -2.81876 0.00000
32 15D+1 0.00000 -0.26039 0.00000 0.00000 -4.20876
33 15D-1 -0.26039 0.00000 0.00000 0.00000 0.00000
34 15D+2 4.35700 0.00000 0.00000 0.00000 0.00000
35 15D-2 0.00000 4.35700 0.00000 0.00000 -5.33043
36 16D 0 0.00000 0.00000 0.00000 -1.60872 0.00000
37 16D+1 0.00000 -0.33525 0.00000 0.00000 -1.22943
38 16D-1 -0.33525 0.00000 0.00000 0.00000 0.00000
39 16D+2 -0.39826 0.00000 0.00000 0.00000 0.00000
40 16D-2 0.00000 -0.39826 0.00000 0.00000 -2.01501
41 17D 0 0.00000 0.00000 0.00000 0.90874 0.00000
42 17D+1 0.00000 0.37192 0.00000 0.00000 0.80258
43 17D-1 0.37192 0.00000 0.00000 0.00000 0.00000
44 17D+2 -0.06803 0.00000 0.00000 0.00000 0.00000
45 17D-2 0.00000 -0.06803 0.00000 0.00000 1.19261
46 18F 0 0.00000 0.00000 0.00000 0.12581 0.00000
47 18F+1 0.00000 -0.06095 0.00000 0.00000 -0.17287
48 18F-1 -0.06095 0.00000 0.00000 0.00000 0.00000
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181 182 183 184 185
(E)--V (A2)--V (E)--V (E)--V (E)--V
Eigenvalues -- 8.67716 12.61181 12.62619 12.62619 12.64407
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102 6PY 0.17906 0.00000 0.00000 0.00352 0.00000
103 6PZ -0.05793 0.00000 0.00000 0.00490 0.00000
104 7PX 0.00000 -0.00686 -0.00324 0.00000 0.02521
105 7PY -1.66823 0.00000 0.00000 0.01199 0.00000
106 7PZ 0.53421 0.00000 0.00000 0.01381 0.00000
107 8PX 0.00000 0.02641 0.01868 0.00000 -0.11658
108 8PY 6.12461 0.00000 0.00000 -0.05985 0.00000
109 8PZ -1.93622 0.00000 0.00000 -0.05828 0.00000
110 9PX 0.00000 -0.05430 0.04427 0.00000 -0.20144
111 9PY 3.61114 0.00000 0.00000 -0.02236 0.00000
112 9PZ -1.11906 0.00000 0.00000 -0.00090 0.00000
113 10D 0 -0.02639 0.00000 0.00000 -0.04997 0.00000
114 10D+1 0.00000 -0.00069 -0.00141 0.00000 -0.00424
115 10D-1 -0.03895 0.00000 0.00000 0.01400 0.00000
116 10D+2 -0.05736 0.00000 0.00000 0.00784 0.00000
117 10D-2 0.00000 -0.03177 0.03168 0.00000 0.02073
118 11D 0 0.37002 0.00000 0.00000 0.02666 0.00000
119 11D+1 0.00000 0.00428 -0.00044 0.00000 0.00188
120 11D-1 0.54018 0.00000 0.00000 -0.00927 0.00000
121 11D+2 0.81889 0.00000 0.00000 -0.01177 0.00000
122 11D-2 0.00000 0.01671 -0.02275 0.00000 -0.01516
123 12D 0 0.85633 0.00000 0.00000 -0.02629 0.00000
124 12D+1 0.00000 -0.00564 0.01687 0.00000 -0.04479
125 12D-1 1.16745 0.00000 0.00000 0.02595 0.00000
126 12D+2 1.91649 0.00000 0.00000 -0.02460 0.00000
127 12D-2 0.00000 -0.00224 -0.03484 0.00000 0.12465
128 13F 0 -0.04936 0.00000 0.00000 -0.06552 0.00000
129 13F+1 0.00000 0.41816 0.66609 0.00000 -0.21336
130 13F-1 0.03697 0.00000 0.00000 0.32595 0.00000
131 13F+2 -0.06639 0.00000 0.00000 -0.13783 0.00000
132 13F-2 0.00000 0.36424 0.11025 0.00000 -0.10446
133 13F+3 0.00000 -0.30890 -0.04940 0.00000 0.18200
134 13F-3 0.08461 0.00000 0.00000 -0.30696 0.00000
135 14F 0 0.37405 0.00000 0.00000 0.03303 0.00000
136 14F+1 0.00000 -0.18697 -0.30464 0.00000 0.09938
137 14F-1 -0.28603 0.00000 0.00000 -0.14159 0.00000
138 14F+2 0.52844 0.00000 0.00000 0.06646 0.00000
139 14F-2 0.00000 -0.16478 -0.05465 0.00000 0.06156
140 14F+3 0.00000 0.13627 0.00967 0.00000 -0.06372
141 14F-3 -0.68522 0.00000 0.00000 0.14246 0.00000
142 15G 0 0.00237 0.00000 0.00000 0.09676 0.00000
143 15G+1 0.00000 0.12220 0.15326 0.00000 0.03146
144 15G-1 0.02799 0.00000 0.00000 0.17448 0.00000
145 15G+2 0.01318 0.00000 0.00000 0.10494 0.00000
146 15G-2 0.00000 -0.05156 -0.29499 0.00000 0.11185
147 15G+3 0.00000 0.10685 0.02160 0.00000 -0.11990
148 15G-3 0.02994 0.00000 0.00000 0.06924 0.00000
149 15G+4 0.03851 0.00000 0.00000 -0.11786 0.00000
150 15G-4 0.00000 0.13952 0.00619 0.00000 -0.13579
151 3 H 1S -0.04748 0.00000 -0.08286 0.04784 -0.08386
152 2S -0.98696 0.00000 0.11085 -0.06400 0.10985
153 3S 4.22615 0.00000 -0.08546 0.04934 -0.01183
154 4S 3.65052 0.00000 0.08947 -0.05166 0.50260
155 5S -0.09315 0.00000 -0.02369 0.01368 0.00888
156 6PX -0.08449 0.00102 0.00306 -0.00079 0.00337
157 6PY 0.03272 0.00176 -0.00079 0.00216 0.00265
158 6PZ 0.02897 0.00000 0.00424 -0.00245 0.00238
159 7PX 0.78590 0.00343 0.00818 -0.00660 0.00796
160 7PY -0.30702 0.00594 -0.00660 0.00057 0.00996
161 7PZ -0.26711 0.00000 0.01196 -0.00691 0.00351
162 8PX -2.89308 -0.01320 -0.04022 0.03401 -0.08241
163 8PY 1.11364 -0.02287 0.03401 -0.00095 -0.01973
164 8PZ 0.96811 0.00000 -0.05047 0.02914 0.01099
165 9PX -1.68648 0.02715 -0.00570 0.02885 -0.17160
166 9PY 0.69008 0.04703 0.02885 0.02761 -0.01723
167 9PZ 0.55953 0.00000 -0.00078 0.00045 -0.01471
168 10D 0 0.01320 0.00000 -0.04327 0.02498 -0.01442
169 10D+1 0.01842 0.00034 0.01015 -0.00667 0.01008
170 10D-1 -0.00704 0.00060 -0.00667 0.00244 -0.00827
171 10D+2 -0.03016 0.02752 0.01033 0.02572 0.00299
172 10D-2 0.01570 0.01589 0.01380 0.01033 0.01555
173 11D 0 -0.18501 0.00000 0.02308 -0.01333 0.00734
174 11D+1 -0.24531 -0.00214 -0.00706 0.00382 -0.01560
175 11D-1 0.11529 -0.00371 0.00382 -0.00265 0.01009
176 11D+2 0.35307 -0.01447 -0.00475 -0.02000 0.00030
177 11D-2 -0.26894 -0.00835 -0.01451 -0.00475 -0.01568
178 12D 0 -0.42816 0.00000 -0.02277 0.01314 -0.01608
179 12D+1 -0.57800 0.00282 0.02368 -0.00393 -0.00326
180 12D-1 0.16632 0.00488 -0.00393 0.01914 -0.02398
181 12D+2 0.72115 0.00194 -0.00443 -0.03228 0.06117
182 12D-2 -0.69013 0.00112 -0.02716 -0.00443 0.01871
183 13F 0 0.02468 0.00000 -0.05674 0.03276 0.51365
184 13F+1 -0.01796 -0.20908 0.41099 0.14729 0.13246
185 13F-1 0.00587 -0.36213 0.14729 0.58106 -0.19966
186 13F+2 -0.02217 -0.31544 0.10743 0.04823 0.13766
187 13F-2 0.02553 -0.18212 -0.07581 0.10743 -0.34290
188 13F+3 0.01667 -0.30890 0.02470 0.04278 -0.09100
189 13F-3 -0.04230 0.00000 -0.26583 0.15348 -0.17723
190 14F 0 -0.18703 0.00000 0.02861 -0.01652 -0.23324
191 14F+1 0.13292 0.09349 -0.18235 -0.07060 -0.06069
192 14F-1 -0.05581 0.16192 -0.07060 -0.26388 0.09242
193 14F+2 0.21445 0.14270 -0.05244 -0.02437 -0.05771
194 14F-2 -0.18128 0.08239 0.03618 -0.05244 0.16152
195 14F+3 -0.16752 0.13627 -0.00484 -0.00838 0.03186
196 14F-3 0.34261 0.00000 0.12337 -0.07123 0.07824
197 15G 0 -0.00119 0.00000 0.08380 -0.04838 0.17716
198 15G+1 -0.01163 -0.06110 0.16917 -0.00919 -0.07033
199 15G-1 0.00786 -0.10583 -0.00919 0.15856 0.05877
200 15G+2 -0.00052 0.04465 -0.17318 -0.19501 0.04012
201 15G-2 -0.00791 0.02578 0.00496 -0.17318 0.04237
202 15G+3 -0.00105 0.10685 -0.01080 -0.01871 0.05995
203 15G-3 -0.01497 0.00000 0.05997 -0.03462 0.19741
204 15G+4 0.01360 0.12082 0.04836 -0.03411 0.08125
205 15G-4 0.01438 -0.06976 0.08994 -0.04836 0.00495
206 4 H 1S -0.04748 0.00000 0.08286 0.04784 0.08386
207 2S -0.98696 0.00000 -0.11085 -0.06400 -0.10985
208 3S 4.22615 0.00000 0.08546 0.04934 0.01183
209 4S 3.65052 0.00000 -0.08947 -0.05166 -0.50260
210 5S -0.09315 0.00000 0.02369 0.01368 -0.00888
211 6PX 0.08449 0.00102 0.00306 0.00079 0.00337
212 6PY 0.03272 -0.00176 0.00079 0.00216 -0.00265
213 6PZ 0.02897 0.00000 -0.00424 -0.00245 -0.00238
214 7PX -0.78590 0.00343 0.00818 0.00660 0.00796
215 7PY -0.30702 -0.00594 0.00660 0.00057 -0.00996
216 7PZ -0.26711 0.00000 -0.01196 -0.00691 -0.00351
217 8PX 2.89308 -0.01320 -0.04022 -0.03401 -0.08241
218 8PY 1.11364 0.02287 -0.03401 -0.00095 0.01973
219 8PZ 0.96811 0.00000 0.05047 0.02914 -0.01099
220 9PX 1.68648 0.02715 -0.00570 -0.02885 -0.17160
221 9PY 0.69008 -0.04703 -0.02885 0.02761 0.01723
222 9PZ 0.55953 0.00000 0.00078 0.00045 0.01471
223 10D 0 0.01320 0.00000 0.04327 0.02498 0.01442
224 10D+1 -0.01842 0.00034 0.01015 0.00667 0.01008
225 10D-1 -0.00704 -0.00060 0.00667 0.00244 0.00827
226 10D+2 -0.03016 -0.02752 -0.01033 0.02572 -0.00299
227 10D-2 -0.01570 0.01589 0.01380 -0.01033 0.01555
228 11D 0 -0.18501 0.00000 -0.02308 -0.01333 -0.00734
229 11D+1 0.24531 -0.00214 -0.00706 -0.00382 -0.01560
230 11D-1 0.11529 0.00371 -0.00382 -0.00265 -0.01009
231 11D+2 0.35307 0.01447 0.00475 -0.02000 -0.00030
232 11D-2 0.26894 -0.00835 -0.01451 0.00475 -0.01568
233 12D 0 -0.42816 0.00000 0.02277 0.01314 0.01608
234 12D+1 0.57800 0.00282 0.02368 0.00393 -0.00326
235 12D-1 0.16632 -0.00488 0.00393 0.01914 0.02398
236 12D+2 0.72115 -0.00194 0.00443 -0.03228 -0.06117
237 12D-2 0.69013 0.00112 -0.02716 0.00443 0.01871
238 13F 0 0.02468 0.00000 0.05674 0.03276 -0.51365
239 13F+1 0.01796 -0.20908 0.41099 -0.14729 0.13246
240 13F-1 0.00587 0.36213 -0.14729 0.58106 0.19966
241 13F+2 -0.02217 0.31544 -0.10743 0.04823 -0.13766
242 13F-2 -0.02553 -0.18212 -0.07581 -0.10743 -0.34290
243 13F+3 -0.01667 -0.30890 0.02470 -0.04278 -0.09100
244 13F-3 -0.04230 0.00000 0.26583 0.15348 0.17723
245 14F 0 -0.18703 0.00000 -0.02861 -0.01652 0.23324
246 14F+1 -0.13292 0.09349 -0.18235 0.07060 -0.06069
247 14F-1 -0.05581 -0.16192 0.07060 -0.26388 -0.09242
248 14F+2 0.21445 -0.14270 0.05244 -0.02437 0.05771
249 14F-2 0.18128 0.08239 0.03618 0.05244 0.16152
250 14F+3 0.16752 0.13627 -0.00484 0.00838 0.03186
251 14F-3 0.34261 0.00000 -0.12337 -0.07123 -0.07824
252 15G 0 -0.00119 0.00000 -0.08380 -0.04838 -0.17716
253 15G+1 0.01163 -0.06110 0.16917 0.00919 -0.07033
254 15G-1 0.00786 0.10583 0.00919 0.15856 -0.05877
255 15G+2 -0.00052 -0.04465 0.17318 -0.19501 -0.04012
256 15G-2 0.00791 0.02578 0.00496 0.17318 0.04237
257 15G+3 0.00105 0.10685 -0.01080 0.01871 0.05995
258 15G-3 -0.01497 0.00000 -0.05997 -0.03462 -0.19741
259 15G+4 0.01360 -0.12082 -0.04836 -0.03411 -0.08125
260 15G-4 -0.01438 -0.06976 0.08994 0.04836 0.00495
186 187 188 189 190
(E)--V (A1)--V (E)--V (E)--V (A2)--V
Eigenvalues -- 12.64407 12.64906 12.66177 12.66177 12.66831
1 1 Si 1S 0.00000 -0.00409 0.00000 0.00000 0.00000
2 2S 0.00000 0.00317 0.00000 0.00000 0.00000
3 3S 0.00000 -0.10398 0.00000 0.00000 0.00000
4 4S 0.00000 -0.33941 0.00000 0.00000 0.00000
5 5S 0.00000 0.09779 0.00000 0.00000 0.00000
6 6S 0.00000 1.19241 0.00000 0.00000 0.00000
7 7S 0.00000 -0.21315 0.00000 0.00000 0.00000
8 8PX 0.00000 0.00000 -0.02763 0.00000 0.00000
9 8PY 0.10102 0.00000 0.00000 -0.02763 0.00000
10 8PZ 0.00000 0.19842 0.00000 0.00000 0.00000
11 9PX 0.00000 0.00000 -0.03979 0.00000 0.00000
12 9PY 0.15582 0.00000 0.00000 -0.03979 0.00000
13 9PZ 0.00000 0.32986 0.00000 0.00000 0.00000
14 10PX 0.00000 0.00000 0.00231 0.00000 0.00000
15 10PY 0.10939 0.00000 0.00000 0.00231 0.00000
16 10PZ 0.00000 0.31989 0.00000 0.00000 0.00000
17 11PX 0.00000 0.00000 -0.02193 0.00000 0.00000
18 11PY -0.10688 0.00000 0.00000 -0.02193 0.00000
19 11PZ 0.00000 -0.34558 0.00000 0.00000 0.00000
20 12PX 0.00000 0.00000 0.21075 0.00000 0.00000
21 12PY -0.27560 0.00000 0.00000 0.21075 0.00000
22 12PZ 0.00000 -0.08021 0.00000 0.00000 0.00000
23 13PX 0.00000 0.00000 -0.04227 0.00000 0.00000
24 13PY -0.05877 0.00000 0.00000 -0.04227 0.00000
25 13PZ 0.00000 0.02071 0.00000 0.00000 0.00000
26 14D 0 0.00000 -0.05383 0.00000 0.00000 0.00000
27 14D+1 0.00000 0.00000 0.01014 0.00000 0.00000
28 14D-1 0.12077 0.00000 0.00000 0.01014 0.00000
29 14D+2 0.27081 0.00000 0.00000 0.01998 0.00000
30 14D-2 0.00000 0.00000 0.01998 0.00000 0.00000
31 15D 0 0.00000 -0.28212 0.00000 0.00000 0.00000
32 15D+1 0.00000 0.00000 -0.18534 0.00000 0.00000
33 15D-1 0.05194 0.00000 0.00000 -0.18534 0.00000
34 15D+2 0.36097 0.00000 0.00000 0.04356 0.00000
35 15D-2 0.00000 0.00000 0.04356 0.00000 0.00000
36 16D 0 0.00000 0.03386 0.00000 0.00000 0.00000
37 16D+1 0.00000 0.00000 0.08086 0.00000 0.00000
38 16D-1 -0.00758 0.00000 0.00000 0.08086 0.00000
39 16D+2 -0.08181 0.00000 0.00000 0.02104 0.00000
40 16D-2 0.00000 0.00000 0.02104 0.00000 0.00000
41 17D 0 0.00000 -0.00296 0.00000 0.00000 0.00000
42 17D+1 0.00000 0.00000 -0.05412 0.00000 0.00000
43 17D-1 0.00278 0.00000 0.00000 -0.05412 0.00000
44 17D+2 0.02056 0.00000 0.00000 -0.02843 0.00000
45 17D-2 0.00000 0.00000 -0.02843 0.00000 0.00000
46 18F 0 0.00000 -0.01665 0.00000 0.00000 0.00000
47 18F+1 0.00000 0.00000 -0.05823 0.00000 0.00000
48 18F-1 -0.01957 0.00000 0.00000 -0.05823 0.00000
49 18F+2 -0.13903 0.00000 0.00000 -0.05009 0.00000
50 18F-2 0.00000 0.00000 -0.05009 0.00000 0.00000
51 18F+3 0.00000 0.00000 0.00000 0.00000 -0.10591
52 18F-3 0.00000 -0.02276 0.00000 0.00000 0.00000
53 19F 0 0.00000 0.09351 0.00000 0.00000 0.00000
54 19F+1 0.00000 0.00000 0.19071 0.00000 0.00000
55 19F-1 -0.01832 0.00000 0.00000 0.19071 0.00000
56 19F+2 -0.11127 0.00000 0.00000 0.00778 0.00000
57 19F-2 0.00000 0.00000 0.00778 0.00000 0.00000
58 19F+3 0.00000 0.00000 0.00000 0.00000 0.48908
59 19F-3 0.00000 -0.19978 0.00000 0.00000 0.00000
60 20F 0 0.00000 0.04215 0.00000 0.00000 0.00000
61 20F+1 0.00000 0.00000 -0.07105 0.00000 0.00000
62 20F-1 0.01018 0.00000 0.00000 -0.07105 0.00000
63 20F+2 -0.00874 0.00000 0.00000 -0.00196 0.00000
64 20F-2 0.00000 0.00000 -0.00196 0.00000 0.00000
65 20F+3 0.00000 0.00000 0.00000 0.00000 -0.10438
66 20F-3 0.00000 -0.05572 0.00000 0.00000 0.00000
67 21G 0 0.00000 0.08398 0.00000 0.00000 0.00000
68 21G+1 0.00000 0.00000 -0.03839 0.00000 0.00000
69 21G-1 0.04005 0.00000 0.00000 -0.03839 0.00000
70 21G+2 -0.02057 0.00000 0.00000 -0.00461 0.00000
71 21G-2 0.00000 0.00000 -0.00461 0.00000 0.00000
72 21G+3 0.00000 0.00000 0.00000 0.00000 -0.03836
73 21G-3 0.00000 0.06651 0.00000 0.00000 0.00000
74 21G+4 0.11864 0.00000 0.00000 0.02601 0.00000
75 21G-4 0.00000 0.00000 -0.02601 0.00000 0.00000
76 22G 0 0.00000 -0.05113 0.00000 0.00000 0.00000
77 22G+1 0.00000 0.00000 0.02977 0.00000 0.00000
78 22G-1 -0.02836 0.00000 0.00000 0.02977 0.00000
79 22G+2 0.00504 0.00000 0.00000 -0.02013 0.00000
80 22G-2 0.00000 0.00000 -0.02013 0.00000 0.00000
81 22G+3 0.00000 0.00000 0.00000 0.00000 -0.06636
82 22G-3 0.00000 0.03802 0.00000 0.00000 0.00000
83 22G+4 -0.00792 0.00000 0.00000 -0.00330 0.00000
84 22G-4 0.00000 0.00000 0.00330 0.00000 0.00000
85 23H 0 0.00000 -0.02526 0.00000 0.00000 0.00000
86 23H+1 0.00000 0.00000 0.01652 0.00000 0.00000
87 23H-1 -0.00159 0.00000 0.00000 0.01652 0.00000
88 23H+2 0.02881 0.00000 0.00000 0.03063 0.00000
89 23H-2 0.00000 0.00000 0.03063 0.00000 0.00000
90 23H+3 0.00000 0.00000 0.00000 0.00000 -0.00773
91 23H-3 0.00000 0.01641 0.00000 0.00000 0.00000
92 23H+4 -0.01837 0.00000 0.00000 0.01260 0.00000
93 23H-4 0.00000 0.00000 -0.01260 0.00000 0.00000
94 23H+5 0.00000 0.00000 0.01963 0.00000 0.00000
95 23H-5 -0.05053 0.00000 0.00000 -0.01963 0.00000
96 2 H 1S -0.09684 0.02022 0.00000 0.05685 0.00000
97 2S 0.12685 0.01300 0.00000 -0.09108 0.00000
98 3S -0.01366 -0.26375 0.00000 0.18431 0.00000
99 4S 0.58035 -0.29233 0.00000 -0.29753 0.00000
100 5S 0.01025 0.06054 0.00000 0.06545 0.00000
101 6PX 0.00000 0.00000 0.00060 0.00000 -0.01487
102 6PY 0.00184 0.00182 0.00000 -0.00346 0.00000
103 6PZ 0.00275 0.00112 0.00000 -0.00767 0.00000
104 7PX 0.00000 0.00000 0.00484 0.00000 -0.03535
105 7PY 0.00221 -0.02269 0.00000 0.00127 0.00000
106 7PZ 0.00406 0.00877 0.00000 -0.01414 0.00000
107 8PX 0.00000 0.00000 -0.01922 0.00000 0.14459
108 8PY -0.07102 0.15103 0.00000 -0.03357 0.00000
109 8PZ 0.01269 -0.06170 0.00000 0.05980 0.00000
110 9PX 0.00000 0.00000 -0.06589 0.00000 0.06466
111 9PY -0.16165 0.12819 0.00000 0.13795 0.00000
112 9PZ -0.01698 -0.07781 0.00000 -0.00593 0.00000
113 10D 0 -0.01665 0.01750 0.00000 -0.04342 0.00000
114 10D+1 0.00000 0.00000 -0.04637 0.00000 -0.03994
115 10D-1 0.01486 0.00536 0.00000 0.06138 0.00000
116 10D+2 0.01382 0.02435 0.00000 -0.07273 0.00000
117 10D-2 0.00000 0.00000 0.01327 0.00000 0.03822
118 11D 0 0.00847 -0.00252 0.00000 0.01857 0.00000
119 11D+1 0.00000 0.00000 0.02377 0.00000 0.02094
120 11D-1 -0.02142 0.00240 0.00000 -0.03251 0.00000
121 11D+2 -0.01585 -0.00195 0.00000 0.03033 0.00000
122 11D-2 0.00000 0.00000 -0.01016 0.00000 -0.01586
123 12D 0 -0.01857 0.01600 0.00000 0.02563 0.00000
124 12D+1 0.00000 0.00000 0.00504 0.00000 0.05436
125 12D-1 0.01058 0.04168 0.00000 -0.06429 0.00000
126 12D+2 -0.01661 0.04150 0.00000 0.04843 0.00000
127 12D-2 0.00000 0.00000 0.03419 0.00000 -0.12985
128 13F 0 0.59311 -0.28543 0.00000 0.28582 0.00000
129 13F+1 0.00000 0.00000 0.02438 0.00000 -0.09630
130 13F-1 0.24773 -0.19119 0.00000 0.22784 0.00000
131 13F+2 -0.42238 0.29633 0.00000 0.08465 0.00000
132 13F-2 0.00000 0.00000 0.34970 0.00000 0.36418
133 13F+3 0.00000 0.00000 -0.01189 0.00000 0.13019
134 13F-3 -0.20465 0.01365 0.00000 0.30729 0.00000
135 14F 0 -0.26933 0.13877 0.00000 -0.14369 0.00000
136 14F+1 0.00000 0.00000 -0.01167 0.00000 0.04614
137 14F-1 -0.11405 0.08100 0.00000 -0.10942 0.00000
138 14F+2 0.19484 -0.13299 0.00000 -0.05407 0.00000
139 14F-2 0.00000 0.00000 -0.16311 0.00000 -0.18528
140 14F+3 0.00000 0.00000 0.01313 0.00000 -0.08357
141 14F-3 0.09034 -0.01530 0.00000 -0.14723 0.00000
142 15G 0 0.20457 -0.23998 0.00000 0.14339 0.00000
143 15G+1 0.00000 0.00000 0.26763 0.00000 -0.02935
144 15G-1 -0.10426 0.14464 0.00000 -0.18321 0.00000
145 15G+2 0.01920 -0.04860 0.00000 0.10830 0.00000
146 15G-2 0.00000 0.00000 -0.00371 0.00000 0.38291
147 15G+3 0.00000 0.00000 0.35214 0.00000 0.16605
148 15G-3 0.22795 -0.32054 0.00000 -0.14601 0.00000
149 15G+4 -0.05186 0.05199 0.00000 0.31674 0.00000
150 15G-4 0.00000 0.00000 0.17117 0.00000 -0.21885
151 3 H 1S 0.04842 0.02022 0.04923 -0.02842 0.00000
152 2S -0.06342 0.01300 -0.07887 0.04554 0.00000
153 3S 0.00683 -0.26375 0.15961 -0.09215 0.00000
154 4S -0.29018 -0.29233 -0.25766 0.14876 0.00000
155 5S -0.00512 0.06054 0.05668 -0.03272 0.00000
156 6PX 0.00265 0.00157 -0.00245 0.00176 0.00744
157 6PY 0.00644 -0.00091 0.00176 -0.00042 0.01288
158 6PZ -0.00138 0.00112 -0.00664 0.00383 0.00000
159 7PX 0.00996 -0.01965 0.00216 0.00155 0.01767
160 7PY 0.01946 0.01134 0.00155 0.00395 0.03061
161 7PZ -0.00203 0.00877 -0.01224 0.00707 0.00000
162 8PX -0.01973 0.13080 -0.02998 0.00622 -0.07229
163 8PY -0.10519 -0.07552 0.00622 -0.02280 -0.12522
164 8PZ -0.00634 -0.06170 0.05178 -0.02990 0.00000
165 9PX -0.01723 0.11102 0.08699 -0.08827 -0.03233
166 9PY -0.19149 -0.06409 -0.08827 -0.01493 -0.05600
167 9PZ 0.00849 -0.07781 -0.00514 0.00297 0.00000
168 10D 0 0.00832 0.01750 -0.03760 0.02171 0.00000
169 10D+1 -0.00827 0.00465 0.03444 -0.04666 0.01997
170 10D-1 0.00054 -0.00268 -0.04666 -0.01943 0.03459
171 10D+2 0.01900 -0.01217 0.03724 -0.00823 -0.03310
172 10D-2 0.00299 0.02109 -0.05123 0.03724 -0.01911
173 11D 0 -0.00424 -0.00252 0.01608 -0.00928 0.00000
174 11D+1 0.01009 0.00208 -0.01844 0.02437 -0.01047
175 11D-1 -0.00395 -0.00120 0.02437 0.00970 -0.01813
176 11D+2 -0.01534 0.00098 -0.01753 -0.00004 0.01373
177 11D-2 0.00030 -0.00169 0.02021 -0.01753 0.00793
178 12D 0 0.00928 0.01600 0.02220 -0.01282 0.00000
179 12D+1 -0.02398 0.03610 -0.04695 0.03002 -0.02718
180 12D-1 -0.03095 -0.02084 0.03002 -0.01229 -0.04708
181 12D+2 0.08934 -0.02075 -0.00617 0.03775 0.11246
182 12D-2 0.06117 0.03594 0.04487 -0.00617 0.06493
183 13F 0 -0.29655 -0.28543 0.24753 -0.14291 0.00000
184 13F+1 -0.19966 -0.16557 0.17698 -0.08810 0.04815
185 13F-1 -0.09809 0.09559 -0.08810 0.07525 0.08340
186 13F+2 -0.18394 -0.14816 0.11477 0.28344 -0.31539
187 13F-2 0.13766 0.25663 0.15091 0.11477 -0.18209
188 13F+3 -0.15762 0.00000 0.00595 0.01030 0.13019
189 13F-3 0.10232 0.01365 0.26612 -0.15365 0.00000
190 14F 0 0.13466 0.13877 -0.12444 0.07185 0.00000
191 14F+1 0.09242 0.07015 -0.08498 0.04233 -0.02307
192 14F-1 0.04602 -0.04050 0.04233 -0.03611 -0.03996
193 14F+2 0.09488 0.06650 -0.04721 -0.13585 0.16046
194 14F-2 -0.05771 -0.11518 -0.08133 -0.04721 0.09264
195 14F+3 0.05518 0.00000 -0.00656 -0.01137 -0.08357
196 14F-3 -0.04517 -0.01530 -0.12751 0.07362 0.00000
197 15G 0 -0.10228 -0.23998 0.12418 -0.07170 0.00000
198 15G+1 0.05877 0.12526 -0.07050 0.19522 0.01468
199 15G-1 -0.00247 -0.07232 0.19522 0.15492 0.02542
200 15G+2 0.08869 0.02430 -0.04850 0.02429 -0.33161
201 15G-2 0.04012 -0.04209 0.08030 -0.04850 -0.19146
202 15G+3 0.10384 0.00000 -0.17607 -0.30496 0.16605
203 15G-3 -0.11397 -0.32054 -0.12645 0.07301 0.00000
204 15G+4 0.08888 -0.02599 -0.21127 -0.04920 -0.18953
205 15G-4 -0.08125 -0.04502 -0.19476 0.21127 0.10942
206 4 H 1S 0.04842 0.02022 -0.04923 -0.02842 0.00000
207 2S -0.06342 0.01300 0.07887 0.04554 0.00000
208 3S 0.00683 -0.26375 -0.15961 -0.09215 0.00000
209 4S -0.29018 -0.29233 0.25766 0.14876 0.00000
210 5S -0.00512 0.06054 -0.05668 -0.03272 0.00000
211 6PX -0.00265 -0.00157 -0.00245 -0.00176 0.00744
212 6PY 0.00644 -0.00091 -0.00176 -0.00042 -0.01288
213 6PZ -0.00138 0.00112 0.00664 0.00383 0.00000
214 7PX -0.00996 0.01965 0.00216 -0.00155 0.01767
215 7PY 0.01946 0.01134 -0.00155 0.00395 -0.03061
216 7PZ -0.00203 0.00877 0.01224 0.00707 0.00000
217 8PX 0.01973 -0.13080 -0.02998 -0.00622 -0.07229
218 8PY -0.10519 -0.07552 -0.00622 -0.02280 0.12522
219 8PZ -0.00634 -0.06170 -0.05178 -0.02990 0.00000
220 9PX 0.01723 -0.11102 0.08699 0.08827 -0.03233
221 9PY -0.19149 -0.06409 0.08827 -0.01493 0.05600
222 9PZ 0.00849 -0.07781 0.00514 0.00297 0.00000
223 10D 0 0.00832 0.01750 0.03760 0.02171 0.00000
224 10D+1 0.00827 -0.00465 0.03444 0.04666 0.01997
225 10D-1 0.00054 -0.00268 0.04666 -0.01943 -0.03459
226 10D+2 0.01900 -0.01217 -0.03724 -0.00823 0.03310
227 10D-2 -0.00299 -0.02109 -0.05123 -0.03724 -0.01911
228 11D 0 -0.00424 -0.00252 -0.01608 -0.00928 0.00000
229 11D+1 -0.01009 -0.00208 -0.01844 -0.02437 -0.01047
230 11D-1 -0.00395 -0.00120 -0.02437 0.00970 0.01813
231 11D+2 -0.01534 0.00098 0.01753 -0.00004 -0.01373
232 11D-2 -0.00030 0.00169 0.02021 0.01753 0.00793
233 12D 0 0.00928 0.01600 -0.02220 -0.01282 0.00000
234 12D+1 0.02398 -0.03610 -0.04695 -0.03002 -0.02718
235 12D-1 -0.03095 -0.02084 -0.03002 -0.01229 0.04708
236 12D+2 0.08934 -0.02075 0.00617 0.03775 -0.11246
237 12D-2 -0.06117 -0.03594 0.04487 0.00617 0.06493
238 13F 0 -0.29655 -0.28543 -0.24753 -0.14291 0.00000
239 13F+1 0.19966 0.16557 0.17698 0.08810 0.04815
240 13F-1 -0.09809 0.09559 0.08810 0.07525 -0.08340
241 13F+2 -0.18394 -0.14816 -0.11477 0.28344 0.31539
242 13F-2 -0.13766 -0.25663 0.15091 -0.11477 -0.18209
243 13F+3 0.15762 0.00000 0.00595 -0.01030 0.13019
244 13F-3 0.10232 0.01365 -0.26612 -0.15365 0.00000
245 14F 0 0.13466 0.13877 0.12444 0.07185 0.00000
246 14F+1 -0.09242 -0.07015 -0.08498 -0.04233 -0.02307
247 14F-1 0.04602 -0.04050 -0.04233 -0.03611 0.03996
248 14F+2 0.09488 0.06650 0.04721 -0.13585 -0.16046
249 14F-2 0.05771 0.11518 -0.08133 0.04721 0.09264
250 14F+3 -0.05518 0.00000 -0.00656 0.01137 -0.08357
251 14F-3 -0.04517 -0.01530 0.12751 0.07362 0.00000
252 15G 0 -0.10228 -0.23998 -0.12418 -0.07170 0.00000
253 15G+1 -0.05877 -0.12526 -0.07050 -0.19522 0.01468
254 15G-1 -0.00247 -0.07232 -0.19522 0.15492 -0.02542
255 15G+2 0.08869 0.02430 0.04850 0.02429 0.33161
256 15G-2 -0.04012 0.04209 0.08030 0.04850 -0.19146
257 15G+3 -0.10384 0.00000 -0.17607 0.30496 0.16605
258 15G-3 -0.11397 -0.32054 0.12645 0.07301 0.00000
259 15G+4 0.08888 -0.02599 0.21127 -0.04920 0.18953
260 15G-4 0.08125 0.04502 -0.19476 -0.21127 0.10942
191 192 193 194 195
(A1)--V (E)--V (E)--V (A2)--V (E)--V
Eigenvalues -- 12.68620 12.68697 12.68697 12.69208 12.69489
1 1 Si 1S -0.00036 0.00000 0.00000 0.00000 0.00000
2 2S 0.02348 0.00000 0.00000 0.00000 0.00000
3 3S -0.07080 0.00000 0.00000 0.00000 0.00000
4 4S -0.26113 0.00000 0.00000 0.00000 0.00000
5 5S -0.58809 0.00000 0.00000 0.00000 0.00000
6 6S 2.78286 0.00000 0.00000 0.00000 0.00000
7 7S -0.09153 0.00000 0.00000 0.00000 0.00000
8 8PX 0.00000 -0.18085 0.00000 0.00000 0.11010
9 8PY 0.00000 0.00000 -0.18085 0.00000 0.00000
10 8PZ 0.06277 0.00000 0.00000 0.00000 0.00000
11 9PX 0.00000 -0.31012 0.00000 0.00000 0.18651
12 9PY 0.00000 0.00000 -0.31012 0.00000 0.00000
13 9PZ 0.11419 0.00000 0.00000 0.00000 0.00000
14 10PX 0.00000 -0.39384 0.00000 0.00000 0.21976
15 10PY 0.00000 0.00000 -0.39384 0.00000 0.00000
16 10PZ 0.15029 0.00000 0.00000 0.00000 0.00000
17 11PX 0.00000 0.61945 0.00000 0.00000 -0.34010
18 11PY 0.00000 0.00000 0.61945 0.00000 0.00000
19 11PZ -0.17475 0.00000 0.00000 0.00000 0.00000
20 12PX 0.00000 -0.35070 0.00000 0.00000 0.03608
21 12PY 0.00000 0.00000 -0.35070 0.00000 0.00000
22 12PZ -0.48738 0.00000 0.00000 0.00000 0.00000
23 13PX 0.00000 -0.00182 0.00000 0.00000 0.01424
24 13PY 0.00000 0.00000 -0.00182 0.00000 0.00000
25 13PZ 0.04437 0.00000 0.00000 0.00000 0.00000
26 14D 0 -0.21045 0.00000 0.00000 0.00000 0.00000
27 14D+1 0.00000 0.10485 0.00000 0.00000 -0.03870
28 14D-1 0.00000 0.00000 0.10485 0.00000 0.00000
29 14D+2 0.00000 0.00000 0.18143 0.00000 0.00000
30 14D-2 0.00000 0.18143 0.00000 0.00000 -0.07574
31 15D 0 -0.52664 0.00000 0.00000 0.00000 0.00000
32 15D+1 0.00000 -0.11871 0.00000 0.00000 -0.00869
33 15D-1 0.00000 0.00000 -0.11871 0.00000 0.00000
34 15D+2 0.00000 0.00000 0.21312 0.00000 0.00000
35 15D-2 0.00000 0.21312 0.00000 0.00000 -0.05303
36 16D 0 0.09515 0.00000 0.00000 0.00000 0.00000
37 16D+1 0.00000 -0.04023 0.00000 0.00000 0.04079
38 16D-1 0.00000 0.00000 -0.04023 0.00000 0.00000
39 16D+2 0.00000 0.00000 -0.19984 0.00000 0.00000
40 16D-2 0.00000 -0.19984 0.00000 0.00000 0.06672
41 17D 0 -0.01265 0.00000 0.00000 0.00000 0.00000
42 17D+1 0.00000 0.01960 0.00000 0.00000 -0.02610
43 17D-1 0.00000 0.00000 0.01960 0.00000 0.00000
44 17D+2 0.00000 0.00000 0.11858 0.00000 0.00000
45 17D-2 0.00000 0.11858 0.00000 0.00000 -0.02707
46 18F 0 0.13276 0.00000 0.00000 0.00000 0.00000
47 18F+1 0.00000 0.01571 0.00000 0.00000 0.00005
48 18F-1 0.00000 0.00000 0.01571 0.00000 0.00000
49 18F+2 0.00000 0.00000 -0.06867 0.00000 0.00000
50 18F-2 0.00000 -0.06867 0.00000 0.00000 0.02636
51 18F+3 0.00000 0.00000 0.00000 0.04556 0.00000
52 18F-3 -0.14210 0.00000 0.00000 0.00000 0.00000
53 19F 0 0.03421 0.00000 0.00000 0.00000 0.00000
54 19F+1 0.00000 -0.04505 0.00000 0.00000 0.06595
55 19F-1 0.00000 0.00000 -0.04505 0.00000 0.00000
56 19F+2 0.00000 0.00000 -0.08984 0.00000 0.00000
57 19F-2 0.00000 -0.08984 0.00000 0.00000 0.15149
58 19F+3 0.00000 0.00000 0.00000 0.11430 0.00000
59 19F-3 -0.59394 0.00000 0.00000 0.00000 0.00000
60 20F 0 0.07844 0.00000 0.00000 0.00000 0.00000
61 20F+1 0.00000 -0.04220 0.00000 0.00000 0.01923
62 20F-1 0.00000 0.00000 -0.04220 0.00000 0.00000
63 20F+2 0.00000 0.00000 0.07423 0.00000 0.00000
64 20F-2 0.00000 0.07423 0.00000 0.00000 -0.05649
65 20F+3 0.00000 0.00000 0.00000 -0.01046 0.00000
66 20F-3 0.08423 0.00000 0.00000 0.00000 0.00000
67 21G 0 0.03630 0.00000 0.00000 0.00000 0.00000
68 21G+1 0.00000 -0.00655 0.00000 0.00000 0.02015
69 21G-1 0.00000 0.00000 -0.00655 0.00000 0.00000
70 21G+2 0.00000 0.00000 0.00552 0.00000 0.00000
71 21G-2 0.00000 0.00552 0.00000 0.00000 -0.05877
72 21G+3 0.00000 0.00000 0.00000 -0.14818 0.00000
73 21G-3 0.11214 0.00000 0.00000 0.00000 0.00000
74 21G+4 0.00000 0.00000 0.09207 0.00000 0.00000
75 21G-4 0.00000 -0.09207 0.00000 0.00000 0.06544
76 22G 0 0.03075 0.00000 0.00000 0.00000 0.00000
77 22G+1 0.00000 0.04085 0.00000 0.00000 -0.04123
78 22G-1 0.00000 0.00000 0.04085 0.00000 0.00000
79 22G+2 0.00000 0.00000 0.02700 0.00000 0.00000
80 22G-2 0.00000 0.02700 0.00000 0.00000 0.01653
81 22G+3 0.00000 0.00000 0.00000 0.05971 0.00000
82 22G-3 0.03934 0.00000 0.00000 0.00000 0.00000
83 22G+4 0.00000 0.00000 0.05321 0.00000 0.00000
84 22G-4 0.00000 -0.05321 0.00000 0.00000 0.03646
85 23H 0 -0.06459 0.00000 0.00000 0.00000 0.00000
86 23H+1 0.00000 0.02775 0.00000 0.00000 -0.01632
87 23H-1 0.00000 0.00000 0.02775 0.00000 0.00000
88 23H+2 0.00000 0.00000 -0.00179 0.00000 0.00000
89 23H-2 0.00000 -0.00179 0.00000 0.00000 -0.00991
90 23H+3 0.00000 0.00000 0.00000 0.01722 0.00000
91 23H-3 0.04509 0.00000 0.00000 0.00000 0.00000
92 23H+4 0.00000 0.00000 -0.02911 0.00000 0.00000
93 23H-4 0.00000 0.02911 0.00000 0.00000 -0.02434
94 23H+5 0.00000 -0.01808 0.00000 0.00000 -0.01379
95 23H-5 0.00000 0.00000 0.01808 0.00000 0.00000
96 2 H 1S -0.01012 0.00000 0.04252 0.00000 0.00000
97 2S 0.06766 0.00000 -0.00967 0.00000 0.00000
98 3S -0.53991 0.00000 -0.20212 0.00000 0.00000
99 4S -0.71068 0.00000 0.39823 0.00000 0.00000
100 5S 0.05258 0.00000 0.00755 0.00000 0.00000
101 6PX 0.00000 0.01076 0.00000 -0.00506 -0.00479
102 6PY 0.00640 0.00000 0.00068 0.00000 0.00000
103 6PZ 0.00266 0.00000 -0.00063 0.00000 0.00000
104 7PX 0.00000 0.02328 0.00000 -0.00713 -0.01831
105 7PY -0.01428 0.00000 -0.03437 0.00000 0.00000
106 7PZ 0.01945 0.00000 0.02027 0.00000 0.00000
107 8PX 0.00000 -0.08938 0.00000 0.04223 0.08022
108 8PY 0.18591 0.00000 0.17688 0.00000 0.00000
109 8PZ -0.12760 0.00000 -0.10311 0.00000 0.00000
110 9PX 0.00000 -0.17489 0.00000 0.08938 0.09083
111 9PY 0.23917 0.00000 -0.10043 0.00000 0.00000
112 9PZ -0.13791 0.00000 0.02263 0.00000 0.00000
113 10D 0 0.05931 0.00000 0.01081 0.00000 0.00000
114 10D+1 0.00000 0.03619 0.00000 0.01795 0.03521
115 10D-1 0.00986 0.00000 0.08393 0.00000 0.00000
116 10D+2 -0.00887 0.00000 0.05000 0.00000 0.00000
117 10D-2 0.00000 -0.08736 0.00000 0.09501 0.01108
118 11D 0 -0.02172 0.00000 -0.00015 0.00000 0.00000
119 11D+1 0.00000 -0.01844 0.00000 -0.00965 -0.01705
120 11D-1 0.00796 0.00000 -0.02806 0.00000 0.00000
121 11D+2 0.01996 0.00000 -0.01025 0.00000 0.00000
122 11D-2 0.00000 0.04032 0.00000 -0.05065 -0.00752
123 12D 0 -0.04538 0.00000 0.00195 0.00000 0.00000
124 12D+1 0.00000 -0.03963 0.00000 -0.01247 0.00681
125 12D-1 0.07247 0.00000 0.03876 0.00000 0.00000
126 12D+2 0.02673 0.00000 0.05562 0.00000 0.00000
127 12D-2 0.00000 0.14474 0.00000 -0.05447 -0.08956
128 13F 0 0.23597 0.00000 0.18602 0.00000 0.00000
129 13F+1 0.00000 0.03274 0.00000 0.25648 -0.01215
130 13F-1 -0.29793 0.00000 0.02238 0.00000 0.00000
131 13F+2 -0.03630 0.00000 0.16276 0.00000 0.00000
132 13F-2 0.00000 -0.16310 0.00000 -0.05226 -0.20626
133 13F+3 0.00000 -0.31985 0.00000 0.27293 0.12008
134 13F-3 0.16021 0.00000 -0.10671 0.00000 0.00000
135 14F 0 -0.10479 0.00000 -0.07754 0.00000 0.00000
136 14F+1 0.00000 -0.00922 0.00000 -0.12363 0.00161
137 14F-1 0.15300 0.00000 -0.01171 0.00000 0.00000
138 14F+2 0.02810 0.00000 -0.05554 0.00000 0.00000
139 14F-2 0.00000 0.08792 0.00000 0.02939 0.09052
140 14F+3 0.00000 0.17943 0.00000 -0.13043 -0.07836
141 14F-3 -0.07920 0.00000 0.02854 0.00000 0.00000
142 15G 0 -0.08464 0.00000 0.30776 0.00000 0.00000
143 15G+1 0.00000 -0.42797 0.00000 0.39011 0.03493
144 15G-1 -0.26119 0.00000 -0.18416 0.00000 0.00000
145 15G+2 -0.26809 0.00000 -0.07771 0.00000 0.00000
146 15G-2 0.00000 -0.14466 0.00000 0.00868 -0.00218
147 15G+3 0.00000 0.09596 0.00000 -0.19108 -0.15900
148 15G-3 -0.01042 0.00000 -0.03388 0.00000 0.00000
149 15G+4 0.25946 0.00000 -0.15519 0.00000 0.00000
150 15G-4 0.00000 0.37465 0.00000 -0.20307 -0.11687
151 3 H 1S -0.01012 0.03682 -0.02126 0.00000 -0.04014
152 2S 0.06766 -0.00837 0.00483 0.00000 0.03818
153 3S -0.53991 -0.17504 0.10106 0.00000 0.02593
154 4S -0.71068 0.34487 -0.19911 0.00000 -0.02268
155 5S 0.05258 0.00654 -0.00377 0.00000 -0.02421
156 6PX 0.00554 0.00320 0.00436 0.00253 -0.00267
157 6PY -0.00320 0.00436 0.00824 0.00439 -0.00123
158 6PZ 0.00266 -0.00054 0.00031 0.00000 -0.00490
159 7PX -0.01236 -0.01996 0.02497 0.00357 0.00487
160 7PY 0.00714 0.02497 0.00887 0.00618 -0.01339
161 7PZ 0.01945 0.01756 -0.01014 0.00000 -0.01532
162 8PX 0.16100 0.11031 -0.11529 -0.02112 -0.02554
163 8PY -0.09295 -0.11529 -0.02281 -0.03658 0.06106
164 8PZ -0.12760 -0.08929 0.05155 0.00000 0.07156
165 9PX 0.20712 -0.11904 -0.03224 -0.04469 0.03078
166 9PY -0.11958 -0.03224 -0.15627 -0.07740 0.03467
167 9PZ -0.13791 0.01959 -0.01131 0.00000 0.06370
168 10D 0 0.05931 0.00936 -0.00540 0.00000 -0.03507
169 10D+1 0.00854 0.07200 -0.02067 -0.00898 0.02458
170 10D-1 -0.00493 -0.02067 0.04813 -0.01555 0.00614
171 10D+2 0.00443 -0.05948 -0.05302 -0.08228 0.01858
172 10D-2 -0.00768 0.01566 -0.05948 -0.04750 -0.02110
173 11D 0 -0.02172 -0.00013 0.00008 0.00000 0.01468
174 11D+1 0.00689 -0.02566 0.00417 0.00483 -0.01570
175 11D-1 -0.00398 0.00417 -0.02084 0.00836 -0.00078
176 11D+2 -0.00998 0.02190 0.02768 0.04386 -0.00730
177 11D-2 0.01728 0.00239 0.02190 0.02532 0.00512
178 12D 0 -0.04538 0.00169 -0.00098 0.00000 0.02182
179 12D+1 0.06276 0.01916 -0.03394 0.00623 -0.04917
180 12D-1 -0.03623 -0.03394 -0.02003 0.01080 0.03232
181 12D+2 -0.01337 0.03859 0.12246 0.04717 -0.03016
182 12D-2 0.02315 0.07790 0.03859 0.02723 -0.03731
183 13F 0 0.23597 0.16110 -0.09301 0.00000 -0.04730
184 13F+1 -0.25801 0.02497 0.00449 -0.12824 0.10780
185 13F-1 0.14896 0.00449 0.03015 -0.22212 -0.06925
186 13F+2 0.01815 -0.14110 -0.08164 0.04526 -0.13238
187 13F-2 -0.03144 0.08129 -0.14110 0.02613 0.02302
188 13F+3 0.00000 0.15993 0.27700 0.27293 -0.06004
189 13F-3 0.16021 -0.09241 0.05335 0.00000 0.07235
190 14F 0 -0.10479 -0.06715 0.03877 0.00000 0.01695
191 14F+1 0.13251 -0.01109 0.00108 0.06182 -0.05378
192 14F-1 -0.07650 0.00108 -0.00984 0.10707 0.03198
193 14F+2 -0.01405 0.06212 0.05205 -0.02545 0.06431
194 14F-2 0.02434 -0.01967 0.06212 -0.01469 -0.02087
195 14F+3 0.00000 -0.08972 -0.15539 -0.13043 0.03918
196 14F-3 -0.07920 0.02471 -0.01427 0.00000 -0.02619
197 15G 0 -0.08464 0.26653 -0.15388 0.00000 0.37465
198 15G+1 -0.22620 -0.24511 -0.10558 -0.19505 0.24212
199 15G-1 0.13060 -0.10558 -0.36702 -0.33784 -0.11962
200 15G+2 0.13405 -0.02899 -0.12793 -0.00752 0.15342
201 15G-2 -0.23218 -0.09445 -0.02899 -0.00434 -0.26790
202 15G+3 0.00000 -0.04798 -0.08311 -0.19108 0.07950
203 15G-3 -0.01042 -0.02934 0.01694 0.00000 -0.26654
204 15G+4 -0.12973 -0.09503 -0.31978 -0.17586 -0.04467
205 15G-4 -0.22470 0.21006 0.09503 0.10153 -0.19425
206 4 H 1S -0.01012 -0.03682 -0.02126 0.00000 0.04014
207 2S 0.06766 0.00837 0.00483 0.00000 -0.03818
208 3S -0.53991 0.17504 0.10106 0.00000 -0.02593
209 4S -0.71068 -0.34487 -0.19911 0.00000 0.02268
210 5S 0.05258 -0.00654 -0.00377 0.00000 0.02421
211 6PX -0.00554 0.00320 -0.00436 0.00253 -0.00267
212 6PY -0.00320 -0.00436 0.00824 -0.00439 0.00123
213 6PZ 0.00266 0.00054 0.00031 0.00000 0.00490
214 7PX 0.01236 -0.01996 -0.02497 0.00357 0.00487
215 7PY 0.00714 -0.02497 0.00887 -0.00618 0.01339
216 7PZ 0.01945 -0.01756 -0.01014 0.00000 0.01532
217 8PX -0.16100 0.11031 0.11529 -0.02112 -0.02554
218 8PY -0.09295 0.11529 -0.02281 0.03658 -0.06106
219 8PZ -0.12760 0.08929 0.05155 0.00000 -0.07156
220 9PX -0.20712 -0.11904 0.03224 -0.04469 0.03078
221 9PY -0.11958 0.03224 -0.15627 0.07740 -0.03467
222 9PZ -0.13791 -0.01959 -0.01131 0.00000 -0.06370
223 10D 0 0.05931 -0.00936 -0.00540 0.00000 0.03507
224 10D+1 -0.00854 0.07200 0.02067 -0.00898 0.02458
225 10D-1 -0.00493 0.02067 0.04813 0.01555 -0.00614
226 10D+2 0.00443 0.05948 -0.05302 0.08228 -0.01858
227 10D-2 0.00768 0.01566 0.05948 -0.04750 -0.02110
228 11D 0 -0.02172 0.00013 0.00008 0.00000 -0.01468
229 11D+1 -0.00689 -0.02566 -0.00417 0.00483 -0.01570
230 11D-1 -0.00398 -0.00417 -0.02084 -0.00836 0.00078
231 11D+2 -0.00998 -0.02190 0.02768 -0.04386 0.00730
232 11D-2 -0.01728 0.00239 -0.02190 0.02532 0.00512
233 12D 0 -0.04538 -0.00169 -0.00098 0.00000 -0.02182
234 12D+1 -0.06276 0.01916 0.03394 0.00623 -0.04917
235 12D-1 -0.03623 0.03394 -0.02003 -0.01080 -0.03232
236 12D+2 -0.01337 -0.03859 0.12246 -0.04717 0.03016
237 12D-2 -0.02315 0.07790 -0.03859 0.02723 -0.03731
238 13F 0 0.23597 -0.16110 -0.09301 0.00000 0.04730
239 13F+1 0.25801 0.02497 -0.00449 -0.12824 0.10780
240 13F-1 0.14896 -0.00449 0.03015 0.22212 0.06925
241 13F+2 0.01815 0.14110 -0.08164 -0.04526 0.13238
242 13F-2 0.03144 0.08129 0.14110 0.02613 0.02302
243 13F+3 0.00000 0.15993 -0.27700 0.27293 -0.06004
244 13F-3 0.16021 0.09241 0.05335 0.00000 -0.07235
245 14F 0 -0.10479 0.06715 0.03877 0.00000 -0.01695
246 14F+1 -0.13251 -0.01109 -0.00108 0.06182 -0.05378
247 14F-1 -0.07650 -0.00108 -0.00984 -0.10707 -0.03198
248 14F+2 -0.01405 -0.06212 0.05205 0.02545 -0.06431
249 14F-2 -0.02434 -0.01967 -0.06212 -0.01469 -0.02087
250 14F+3 0.00000 -0.08972 0.15539 -0.13043 0.03918
251 14F-3 -0.07920 -0.02471 -0.01427 0.00000 0.02619
252 15G 0 -0.08464 -0.26653 -0.15388 0.00000 -0.37465
253 15G+1 0.22620 -0.24511 0.10558 -0.19505 0.24212
254 15G-1 0.13060 0.10558 -0.36702 0.33784 0.11962
255 15G+2 0.13405 0.02899 -0.12793 0.00752 -0.15342
256 15G-2 0.23218 -0.09445 0.02899 -0.00434 -0.26790
257 15G+3 0.00000 -0.04798 0.08311 -0.19108 0.07950
258 15G-3 -0.01042 0.02934 0.01694 0.00000 0.26654
259 15G+4 -0.12973 0.09503 -0.31978 0.17586 0.04467
260 15G-4 0.22470 0.21006 -0.09503 0.10153 -0.19425
196 197 198 199 200
(E)--V (A1)--V (E)--V (E)--V (A2)--V
Eigenvalues -- 12.69489 12.70836 12.71751 12.71751 12.72070
1 1 Si 1S 0.00000 -0.00169 0.00000 0.00000 0.00000
2 2S 0.00000 0.00226 0.00000 0.00000 0.00000
3 3S 0.00000 -0.04127 0.00000 0.00000 0.00000
4 4S 0.00000 -0.12605 0.00000 0.00000 0.00000
5 5S 0.00000 0.14726 0.00000 0.00000 0.00000
6 6S 0.00000 -0.04724 0.00000 0.00000 0.00000
7 7S 0.00000 0.03546 0.00000 0.00000 0.00000
8 8PX 0.00000 0.00000 -0.11772 0.00000 0.00000
9 8PY 0.11010 0.00000 0.00000 -0.11772 0.00000
10 8PZ 0.00000 -0.01798 0.00000 0.00000 0.00000
11 9PX 0.00000 0.00000 -0.20029 0.00000 0.00000
12 9PY 0.18651 0.00000 0.00000 -0.20029 0.00000
13 9PZ 0.00000 -0.03554 0.00000 0.00000 0.00000
14 10PX 0.00000 0.00000 -0.25164 0.00000 0.00000
15 10PY 0.21976 0.00000 0.00000 -0.25164 0.00000
16 10PZ 0.00000 -0.04021 0.00000 0.00000 0.00000
17 11PX 0.00000 0.00000 0.42627 0.00000 0.00000
18 11PY -0.34010 0.00000 0.00000 0.42627 0.00000
19 11PZ 0.00000 -0.00660 0.00000 0.00000 0.00000
20 12PX 0.00000 0.00000 -0.33888 0.00000 0.00000
21 12PY 0.03608 0.00000 0.00000 -0.33888 0.00000
22 12PZ 0.00000 0.13226 0.00000 0.00000 0.00000
23 13PX 0.00000 0.00000 0.01457 0.00000 0.00000
24 13PY 0.01424 0.00000 0.00000 0.01457 0.00000
25 13PZ 0.00000 -0.02528 0.00000 0.00000 0.00000
26 14D 0 0.00000 -0.04174 0.00000 0.00000 0.00000
27 14D+1 0.00000 0.00000 0.10140 0.00000 0.00000
28 14D-1 -0.03870 0.00000 0.00000 0.10140 0.00000
29 14D+2 -0.07574 0.00000 0.00000 0.16629 0.00000
30 14D-2 0.00000 0.00000 0.16629 0.00000 0.00000
31 15D 0 0.00000 -0.05279 0.00000 0.00000 0.00000
32 15D+1 0.00000 0.00000 0.19115 0.00000 0.00000
33 15D-1 -0.00869 0.00000 0.00000 0.19115 0.00000
34 15D+2 -0.05303 0.00000 0.00000 0.16935 0.00000
35 15D-2 0.00000 0.00000 0.16935 0.00000 0.00000
36 16D 0 0.00000 -0.01679 0.00000 0.00000 0.00000
37 16D+1 0.00000 0.00000 -0.11034 0.00000 0.00000
38 16D-1 0.04079 0.00000 0.00000 -0.11034 0.00000
39 16D+2 0.06672 0.00000 0.00000 -0.12502 0.00000
40 16D-2 0.00000 0.00000 -0.12502 0.00000 0.00000
41 17D 0 0.00000 0.02829 0.00000 0.00000 0.00000
42 17D+1 0.00000 0.00000 0.05963 0.00000 0.00000
43 17D-1 -0.02610 0.00000 0.00000 0.05963 0.00000
44 17D+2 -0.02707 0.00000 0.00000 0.06512 0.00000
45 17D-2 0.00000 0.00000 0.06512 0.00000 0.00000
46 18F 0 0.00000 -0.00981 0.00000 0.00000 0.00000
47 18F+1 0.00000 0.00000 0.03165 0.00000 0.00000
48 18F-1 0.00005 0.00000 0.00000 0.03165 0.00000
49 18F+2 0.02636 0.00000 0.00000 -0.05018 0.00000
50 18F-2 0.00000 0.00000 -0.05018 0.00000 0.00000
51 18F+3 0.00000 0.00000 0.00000 0.00000 0.09154
52 18F-3 0.00000 -0.00639 0.00000 0.00000 0.00000
53 19F 0 0.00000 -0.06857 0.00000 0.00000 0.00000
54 19F+1 0.00000 0.00000 -0.14744 0.00000 0.00000
55 19F-1 0.06595 0.00000 0.00000 -0.14744 0.00000
56 19F+2 0.15149 0.00000 0.00000 -0.26919 0.00000
57 19F-2 0.00000 0.00000 -0.26919 0.00000 0.00000
58 19F+3 0.00000 0.00000 0.00000 0.00000 0.58122
59 19F-3 0.00000 -0.07323 0.00000 0.00000 0.00000
60 20F 0 0.00000 0.02182 0.00000 0.00000 0.00000
61 20F+1 0.00000 0.00000 -0.01134 0.00000 0.00000
62 20F-1 0.01923 0.00000 0.00000 -0.01134 0.00000
63 20F+2 -0.05649 0.00000 0.00000 0.08881 0.00000
64 20F-2 0.00000 0.00000 0.08881 0.00000 0.00000
65 20F+3 0.00000 0.00000 0.00000 0.00000 -0.08010
66 20F-3 0.00000 -0.01702 0.00000 0.00000 0.00000
67 21G 0 0.00000 0.05263 0.00000 0.00000 0.00000
68 21G+1 0.00000 0.00000 -0.09120 0.00000 0.00000
69 21G-1 0.02015 0.00000 0.00000 -0.09120 0.00000
70 21G+2 -0.05877 0.00000 0.00000 0.08646 0.00000
71 21G-2 0.00000 0.00000 0.08646 0.00000 0.00000
72 21G+3 0.00000 0.00000 0.00000 0.00000 -0.31889
73 21G-3 0.00000 -0.02349 0.00000 0.00000 0.00000
74 21G+4 -0.06544 0.00000 0.00000 0.12375 0.00000
75 21G-4 0.00000 0.00000 -0.12375 0.00000 0.00000
76 22G 0 0.00000 0.04424 0.00000 0.00000 0.00000
77 22G+1 0.00000 0.00000 0.06117 0.00000 0.00000
78 22G-1 -0.04123 0.00000 0.00000 0.06117 0.00000
79 22G+2 0.01653 0.00000 0.00000 -0.02812 0.00000
80 22G-2 0.00000 0.00000 -0.02812 0.00000 0.00000
81 22G+3 0.00000 0.00000 0.00000 0.00000 0.05103
82 22G-3 0.00000 -0.02008 0.00000 0.00000 0.00000
83 22G+4 -0.03646 0.00000 0.00000 -0.00216 0.00000
84 22G-4 0.00000 0.00000 0.00216 0.00000 0.00000
85 23H 0 0.00000 -0.03795 0.00000 0.00000 0.00000
86 23H+1 0.00000 0.00000 0.02001 0.00000 0.00000
87 23H-1 -0.01632 0.00000 0.00000 0.02001 0.00000
88 23H+2 -0.00991 0.00000 0.00000 0.00759 0.00000
89 23H-2 0.00000 0.00000 0.00759 0.00000 0.00000
90 23H+3 0.00000 0.00000 0.00000 0.00000 0.03499
91 23H-3 0.00000 0.04314 0.00000 0.00000 0.00000
92 23H+4 0.02434 0.00000 0.00000 -0.03669 0.00000
93 23H-4 0.00000 0.00000 0.03669 0.00000 0.00000
94 23H+5 0.00000 0.00000 -0.01035 0.00000 0.00000
95 23H-5 0.01379 0.00000 0.00000 0.01035 0.00000
96 2 H 1S -0.04635 -0.03238 0.00000 -0.01959 0.00000
97 2S 0.04409 0.05558 0.00000 0.04972 0.00000
98 3S 0.02994 -0.08206 0.00000 -0.06308 0.00000
99 4S -0.02619 0.04007 0.00000 0.36989 0.00000
100 5S -0.02795 -0.02132 0.00000 -0.01812 0.00000
101 6PX 0.00000 0.00000 0.00963 0.00000 -0.02500
102 6PY -0.00196 0.00090 0.00000 0.00580 0.00000
103 6PZ -0.00565 0.00074 0.00000 0.01555 0.00000
104 7PX 0.00000 0.00000 0.02105 0.00000 -0.04619
105 7PY 0.01260 -0.00090 0.00000 -0.00951 0.00000
106 7PZ -0.01769 0.01505 0.00000 0.03128 0.00000
107 8PX 0.00000 0.00000 -0.09505 0.00000 0.20851
108 8PY -0.06080 0.01065 0.00000 0.02929 0.00000
109 8PZ 0.08264 -0.07046 0.00000 -0.13964 0.00000
110 9PX 0.00000 0.00000 -0.13503 0.00000 0.25307
111 9PY 0.01076 -0.01689 0.00000 -0.11040 0.00000
112 9PZ 0.07356 -0.04302 0.00000 -0.11304 0.00000
113 10D 0 -0.04050 0.00207 0.00000 0.11294 0.00000
114 10D+1 0.00000 0.00000 0.01301 0.00000 -0.01351
115 10D-1 0.02104 0.06841 0.00000 -0.05117 0.00000
116 10D+2 -0.03183 -0.02231 0.00000 0.04963 0.00000
117 10D-2 0.00000 0.00000 -0.07131 0.00000 0.12251
118 11D 0 0.01695 -0.00115 0.00000 -0.05305 0.00000
119 11D+1 0.00000 0.00000 -0.00794 0.00000 0.00496
120 11D-1 -0.01525 -0.03292 0.00000 0.02774 0.00000
121 11D+2 0.00933 0.01273 0.00000 -0.02040 0.00000
122 11D-2 0.00000 0.00000 0.03707 0.00000 -0.05490
123 12D 0 0.02520 -0.02125 0.00000 -0.08451 0.00000
124 12D+1 0.00000 0.00000 -0.01677 0.00000 0.02441
125 12D-1 -0.06784 0.04505 0.00000 0.12167 0.00000
126 12D+2 -0.01990 -0.00170 0.00000 0.02303 0.00000
127 12D-2 0.00000 0.00000 0.11788 0.00000 -0.21391
128 13F 0 -0.05462 0.13609 0.00000 0.10897 0.00000
129 13F+1 0.00000 0.00000 0.12947 0.00000 0.15340
130 13F-1 0.14778 0.00719 0.00000 -0.41297 0.00000
131 13F+2 0.09945 0.21390 0.00000 -0.13996 0.00000
132 13F-2 0.00000 0.00000 -0.00913 0.00000 0.08336
133 13F+3 0.00000 0.00000 -0.30898 0.00000 0.37348
134 13F-3 0.08354 0.14455 0.00000 -0.12860 0.00000
135 14F 0 0.01957 -0.05565 0.00000 -0.04322 0.00000
136 14F+1 0.00000 0.00000 -0.05768 0.00000 -0.08232
137 14F-1 -0.07224 0.00395 0.00000 0.20535 0.00000
138 14F+2 -0.05800 -0.08866 0.00000 0.08670 0.00000
139 14F-2 0.00000 0.00000 0.00778 0.00000 -0.04149
140 14F+3 0.00000 0.00000 0.16895 0.00000 -0.20115
141 14F-3 -0.03024 -0.06642 0.00000 0.04268 0.00000
142 15G 0 0.43261 -0.25580 0.00000 0.00809 0.00000
143 15G+1 0.00000 0.00000 0.44866 0.00000 -0.15092
144 15G-1 0.31118 -0.20855 0.00000 -0.11609 0.00000
145 15G+2 -0.35648 0.39332 0.00000 -0.37194 0.00000
146 15G-2 0.00000 0.00000 0.07425 0.00000 -0.30855
147 15G+3 0.00000 0.00000 -0.13189 0.00000 0.29126
148 15G-3 -0.30777 0.09026 0.00000 0.04713 0.00000
149 15G+4 0.22004 -0.00560 0.00000 -0.01421 0.00000
150 15G-4 0.00000 0.00000 0.22288 0.00000 -0.08837
151 3 H 1S 0.02317 -0.03238 -0.01696 0.00979 0.00000
152 2S -0.02204 0.05558 0.04306 -0.02486 0.00000
153 3S -0.01497 -0.08206 -0.05463 0.03154 0.00000
154 4S 0.01309 0.04007 0.32034 -0.18495 0.00000
155 5S 0.01398 -0.02132 -0.01569 0.00906 0.00000
156 6PX -0.00123 0.00078 0.00676 0.00166 0.01250
157 6PY -0.00409 -0.00045 0.00166 0.00867 0.02165
158 6PZ 0.00283 0.00074 0.01347 -0.00778 0.00000
159 7PX -0.01339 -0.00078 -0.00187 0.01323 0.02309
160 7PY -0.01058 0.00045 0.01323 0.01341 0.04000
161 7PZ 0.00884 0.01505 0.02709 -0.01564 0.00000
162 8PX 0.06106 0.00922 -0.00180 -0.05384 -0.10425
163 8PY 0.04496 -0.00532 -0.05384 -0.06397 -0.18057
164 8PZ -0.04132 -0.07046 -0.12093 0.06982 0.00000
165 9PX 0.03467 -0.01463 -0.11656 -0.01066 -0.12654
166 9PY 0.07081 0.00845 -0.01066 -0.12887 -0.21917
167 9PZ -0.03678 -0.04302 -0.09789 0.05652 0.00000
168 10D 0 0.02025 0.00207 0.09781 -0.05647 0.00000
169 10D+1 0.00614 0.05925 -0.03512 0.02779 0.00676
170 10D-1 0.03166 -0.03421 0.02779 -0.00303 0.01170
171 10D+2 0.00035 0.01115 -0.05237 -0.04107 -0.10610
172 10D-2 0.01858 -0.01932 0.01940 -0.05237 -0.06126
173 11D 0 -0.00847 -0.00115 -0.04595 0.02653 0.00000
174 11D+1 -0.00078 -0.02851 0.01882 -0.01545 -0.00248
175 11D-1 -0.01660 0.01646 -0.01545 0.00098 -0.00429
176 11D+2 -0.00331 -0.00637 0.02489 0.02270 0.04755
177 11D-2 -0.00730 0.01103 -0.00603 0.02489 0.02745
178 12D 0 -0.01260 -0.02125 -0.07319 0.04226 0.00000
179 12D+1 0.03232 0.03902 0.08706 -0.05995 -0.01220
180 12D-1 -0.01185 -0.02253 -0.05995 0.01784 -0.02114
181 12D+2 -0.07214 0.00085 0.04107 0.09417 0.18525
182 12D-2 -0.03016 -0.00147 0.04675 0.04107 0.10696
183 13F 0 0.02731 0.13609 0.09437 -0.05449 0.00000
184 13F+1 -0.06925 0.00623 -0.27736 0.23488 -0.07670
185 13F-1 0.02783 -0.00360 0.23488 -0.00614 -0.13285
186 13F+2 -0.12983 -0.10695 0.05665 -0.04184 -0.07219
187 13F-2 -0.13238 0.18524 -0.10725 0.05665 -0.04168
188 13F+3 -0.10399 0.00000 0.15449 0.26758 0.37348
189 13F-3 -0.04177 0.14455 -0.11137 0.06430 0.00000
190 14F 0 -0.00979 -0.05565 -0.03743 0.02161 0.00000
191 14F+1 0.03198 0.00342 0.13960 -0.11390 0.04116
192 14F-1 -0.01685 -0.00198 -0.11390 0.00808 0.07129
193 14F+2 0.05339 0.04433 -0.03417 0.02751 0.03593
194 14F-2 0.06431 -0.07678 0.06697 -0.03417 0.02075
195 14F+3 0.06786 0.00000 -0.08448 -0.14632 -0.20115
196 14F-3 0.01512 -0.06642 0.03696 -0.02134 0.00000
197 15G 0 -0.21630 -0.25580 0.00701 -0.00405 0.00000
198 15G+1 -0.11962 -0.18061 0.02510 0.24454 0.07546
199 15G-1 0.10400 0.10428 0.24454 0.30747 0.13070
200 15G+2 -0.09075 -0.19666 0.19321 -0.03730 0.26721
201 15G-2 0.15342 0.34063 -0.26039 0.19321 0.15428
202 15G+3 0.13770 0.00000 0.06595 0.11422 0.29126
203 15G-3 0.15389 0.09026 0.04082 -0.02357 0.00000
204 15G+4 0.14266 0.00280 -0.09036 -0.17071 -0.07653
205 15G-4 0.04467 0.00485 0.06638 0.09036 0.04418
206 4 H 1S 0.02317 -0.03238 0.01696 0.00979 0.00000
207 2S -0.02204 0.05558 -0.04306 -0.02486 0.00000
208 3S -0.01497 -0.08206 0.05463 0.03154 0.00000
209 4S 0.01309 0.04007 -0.32034 -0.18495 0.00000
210 5S 0.01398 -0.02132 0.01569 0.00906 0.00000
211 6PX 0.00123 -0.00078 0.00676 -0.00166 0.01250
212 6PY -0.00409 -0.00045 -0.00166 0.00867 -0.02165
213 6PZ 0.00283 0.00074 -0.01347 -0.00778 0.00000
214 7PX 0.01339 0.00078 -0.00187 -0.01323 0.02309
215 7PY -0.01058 0.00045 -0.01323 0.01341 -0.04000
216 7PZ 0.00884 0.01505 -0.02709 -0.01564 0.00000
217 8PX -0.06106 -0.00922 -0.00180 0.05384 -0.10425
218 8PY 0.04496 -0.00532 0.05384 -0.06397 0.18057
219 8PZ -0.04132 -0.07046 0.12093 0.06982 0.00000
220 9PX -0.03467 0.01463 -0.11656 0.01066 -0.12654
221 9PY 0.07081 0.00845 0.01066 -0.12887 0.21917
222 9PZ -0.03678 -0.04302 0.09789 0.05652 0.00000
223 10D 0 0.02025 0.00207 -0.09781 -0.05647 0.00000
224 10D+1 -0.00614 -0.05925 -0.03512 -0.02779 0.00676
225 10D-1 0.03166 -0.03421 -0.02779 -0.00303 -0.01170
226 10D+2 0.00035 0.01115 0.05237 -0.04107 0.10610
227 10D-2 -0.01858 0.01932 0.01940 0.05237 -0.06126
228 11D 0 -0.00847 -0.00115 0.04595 0.02653 0.00000
229 11D+1 0.00078 0.02851 0.01882 0.01545 -0.00248
230 11D-1 -0.01660 0.01646 0.01545 0.00098 0.00429
231 11D+2 -0.00331 -0.00637 -0.02489 0.02270 -0.04755
232 11D-2 0.00730 -0.01103 -0.00603 -0.02489 0.02745
233 12D 0 -0.01260 -0.02125 0.07319 0.04226 0.00000
234 12D+1 -0.03232 -0.03902 0.08706 0.05995 -0.01220
235 12D-1 -0.01185 -0.02253 0.05995 0.01784 0.02114
236 12D+2 -0.07214 0.00085 -0.04107 0.09417 -0.18525
237 12D-2 0.03016 0.00147 0.04675 -0.04107 0.10696
238 13F 0 0.02731 0.13609 -0.09437 -0.05449 0.00000
239 13F+1 0.06925 -0.00623 -0.27736 -0.23488 -0.07670
240 13F-1 0.02783 -0.00360 -0.23488 -0.00614 0.13285
241 13F+2 -0.12983 -0.10695 -0.05665 -0.04184 0.07219
242 13F-2 0.13238 -0.18524 -0.10725 -0.05665 -0.04168
243 13F+3 0.10399 0.00000 0.15449 -0.26758 0.37348
244 13F-3 -0.04177 0.14455 0.11137 0.06430 0.00000
245 14F 0 -0.00979 -0.05565 0.03743 0.02161 0.00000
246 14F+1 -0.03198 -0.00342 0.13960 0.11390 0.04116
247 14F-1 -0.01685 -0.00198 0.11390 0.00808 -0.07129
248 14F+2 0.05339 0.04433 0.03417 0.02751 -0.03593
249 14F-2 -0.06431 0.07678 0.06697 0.03417 0.02075
250 14F+3 -0.06786 0.00000 -0.08448 0.14632 -0.20115
251 14F-3 0.01512 -0.06642 -0.03696 -0.02134 0.00000
252 15G 0 -0.21630 -0.25580 -0.00701 -0.00405 0.00000
253 15G+1 0.11962 0.18061 0.02510 -0.24454 0.07546
254 15G-1 0.10400 0.10428 -0.24454 0.30747 -0.13070
255 15G+2 -0.09075 -0.19666 -0.19321 -0.03730 -0.26721
256 15G-2 -0.15342 -0.34063 -0.26039 -0.19321 0.15428
257 15G+3 -0.13770 0.00000 0.06595 -0.11422 0.29126
258 15G-3 0.15389 0.09026 -0.04082 -0.02357 0.00000
259 15G+4 0.14266 0.00280 0.09036 -0.17071 0.07653
260 15G-4 -0.04467 -0.00485 0.06638 -0.09036 0.04418
201 202 203 204 205
(A1)--V (E)--V (E)--V (E)--V (E)--V
Eigenvalues -- 12.73039 12.73351 12.73351 12.76217 12.76217
1 1 Si 1S 0.00670 0.00000 0.00000 0.00000 0.00000
2 2S 0.01356 0.00000 0.00000 0.00000 0.00000
3 3S 0.10823 0.00000 0.00000 0.00000 0.00000
4 4S 0.27406 0.00000 0.00000 0.00000 0.00000
5 5S -0.46770 0.00000 0.00000 0.00000 0.00000
6 6S 0.59822 0.00000 0.00000 0.00000 0.00000
7 7S -0.00629 0.00000 0.00000 0.00000 0.00000
8 8PX 0.00000 -0.11744 0.00000 -0.00075 0.00000
9 8PY 0.00000 0.00000 -0.11744 0.00000 -0.00075
10 8PZ 0.04173 0.00000 0.00000 0.00000 0.00000
11 9PX 0.00000 -0.17905 0.00000 0.02025 0.00000
12 9PY 0.00000 0.00000 -0.17905 0.00000 0.02025
13 9PZ 0.07596 0.00000 0.00000 0.00000 0.00000
14 10PX 0.00000 -0.10700 0.00000 0.15346 0.00000
15 10PY 0.00000 0.00000 -0.10700 0.00000 0.15346
16 10PZ 0.05994 0.00000 0.00000 0.00000 0.00000
17 11PX 0.00000 0.08708 0.00000 -0.39622 0.00000
18 11PY 0.00000 0.00000 0.08708 0.00000 -0.39622
19 11PZ 0.06132 0.00000 0.00000 0.00000 0.00000
20 12PX 0.00000 -0.02794 0.00000 0.11820 0.00000
21 12PY 0.00000 0.00000 -0.02794 0.00000 0.11820
22 12PZ -0.26108 0.00000 0.00000 0.00000 0.00000
23 13PX 0.00000 0.04673 0.00000 0.01953 0.00000
24 13PY 0.00000 0.00000 0.04673 0.00000 0.01953
25 13PZ 0.03896 0.00000 0.00000 0.00000 0.00000
26 14D 0 -0.00271 0.00000 0.00000 0.00000 0.00000
27 14D+1 0.00000 0.04487 0.00000 0.00318 0.00000
28 14D-1 0.00000 0.00000 0.04487 0.00000 0.00318
29 14D+2 0.00000 0.00000 -0.10673 0.00000 -0.05207
30 14D-2 0.00000 -0.10673 0.00000 -0.05207 0.00000
31 15D 0 -0.02531 0.00000 0.00000 0.00000 0.00000
32 15D+1 0.00000 0.11290 0.00000 0.26156 0.00000
33 15D-1 0.00000 0.00000 0.11290 0.00000 0.26156
34 15D+2 0.00000 0.00000 -0.03611 0.00000 0.39686
35 15D-2 0.00000 -0.03611 0.00000 0.39686 0.00000
36 16D 0 0.08403 0.00000 0.00000 0.00000 0.00000
37 16D+1 0.00000 -0.00275 0.00000 0.00865 0.00000
38 16D-1 0.00000 0.00000 -0.00275 0.00000 0.00865
39 16D+2 0.00000 0.00000 -0.02462 0.00000 -0.00163
40 16D-2 0.00000 -0.02462 0.00000 -0.00163 0.00000
41 17D 0 -0.07276 0.00000 0.00000 0.00000 0.00000
42 17D+1 0.00000 -0.02879 0.00000 -0.00936 0.00000
43 17D-1 0.00000 0.00000 -0.02879 0.00000 -0.00936
44 17D+2 0.00000 0.00000 0.02875 0.00000 -0.05112
45 17D-2 0.00000 0.02875 0.00000 -0.05112 0.00000
46 18F 0 0.03937 0.00000 0.00000 0.00000 0.00000
47 18F+1 0.00000 -0.02973 0.00000 -0.04444 0.00000
48 18F-1 0.00000 0.00000 -0.02973 0.00000 -0.04444
49 18F+2 0.00000 0.00000 0.00495 0.00000 0.00568
50 18F-2 0.00000 0.00495 0.00000 0.00568 0.00000
51 18F+3 0.00000 0.00000 0.00000 0.00000 0.00000
52 18F-3 -0.00252 0.00000 0.00000 0.00000 0.00000
53 19F 0 0.08623 0.00000 0.00000 0.00000 0.00000
54 19F+1 0.00000 -0.09772 0.00000 -0.06945 0.00000
55 19F-1 0.00000 0.00000 -0.09772 0.00000 -0.06945
56 19F+2 0.00000 0.00000 -0.13599 0.00000 -0.37710
57 19F-2 0.00000 -0.13599 0.00000 -0.37710 0.00000
58 19F+3 0.00000 0.00000 0.00000 0.00000 0.00000
59 19F-3 -0.05161 0.00000 0.00000 0.00000 0.00000
60 20F 0 -0.04421 0.00000 0.00000 0.00000 0.00000
61 20F+1 0.00000 -0.00404 0.00000 0.03866 0.00000
62 20F-1 0.00000 0.00000 -0.00404 0.00000 0.03866
63 20F+2 0.00000 0.00000 0.04834 0.00000 0.02705
64 20F-2 0.00000 0.04834 0.00000 0.02705 0.00000
65 20F+3 0.00000 0.00000 0.00000 0.00000 0.00000
66 20F-3 0.09501 0.00000 0.00000 0.00000 0.00000
67 21G 0 -0.04269 0.00000 0.00000 0.00000 0.00000
68 21G+1 0.00000 0.03864 0.00000 0.04038 0.00000
69 21G-1 0.00000 0.00000 0.03864 0.00000 0.04038
70 21G+2 0.00000 0.00000 0.15240 0.00000 0.16643
71 21G-2 0.00000 0.15240 0.00000 0.16643 0.00000
72 21G+3 0.00000 0.00000 0.00000 0.00000 0.00000
73 21G-3 0.02342 0.00000 0.00000 0.00000 0.00000
74 21G+4 0.00000 0.00000 -0.16917 0.00000 -0.03122
75 21G-4 0.00000 0.16917 0.00000 0.03122 0.00000
76 22G 0 -0.09040 0.00000 0.00000 0.00000 0.00000
77 22G+1 0.00000 -0.06305 0.00000 -0.05915 0.00000
78 22G-1 0.00000 0.00000 -0.06305 0.00000 -0.05915
79 22G+2 0.00000 0.00000 -0.00055 0.00000 -0.10402
80 22G-2 0.00000 -0.00055 0.00000 -0.10402 0.00000
81 22G+3 0.00000 0.00000 0.00000 0.00000 0.00000
82 22G-3 0.00136 0.00000 0.00000 0.00000 0.00000
83 22G+4 0.00000 0.00000 0.05037 0.00000 0.02694
84 22G-4 0.00000 -0.05037 0.00000 -0.02694 0.00000
85 23H 0 -0.00006 0.00000 0.00000 0.00000 0.00000
86 23H+1 0.00000 0.08860 0.00000 -0.02900 0.00000
87 23H-1 0.00000 0.00000 0.08860 0.00000 -0.02900
88 23H+2 0.00000 0.00000 -0.04066 0.00000 0.04785
89 23H-2 0.00000 -0.04066 0.00000 0.04785 0.00000
90 23H+3 0.00000 0.00000 0.00000 0.00000 0.00000
91 23H-3 -0.09497 0.00000 0.00000 0.00000 0.00000
92 23H+4 0.00000 0.00000 0.05941 0.00000 -0.02004
93 23H-4 0.00000 -0.05941 0.00000 0.02004 0.00000
94 23H+5 0.00000 -0.06605 0.00000 0.10329 0.00000
95 23H-5 0.00000 0.00000 0.06605 0.00000 -0.10329
96 2 H 1S 0.01329 0.00000 0.06600 0.00000 0.04395
97 2S -0.04310 0.00000 -0.10769 0.00000 -0.13191
98 3S 0.05224 0.00000 0.18334 0.00000 0.52934
99 4S -0.19860 0.00000 -0.18896 0.00000 -0.15236
100 5S 0.01910 0.00000 -0.00946 0.00000 0.00743
101 6PX 0.00000 0.00527 0.00000 0.00374 0.00000
102 6PY -0.00136 0.00000 -0.00186 0.00000 0.00241
103 6PZ 0.00520 0.00000 0.00013 0.00000 0.01824
104 7PX 0.00000 -0.01171 0.00000 0.02823 0.00000
105 7PY 0.01535 0.00000 0.01504 0.00000 0.04038
106 7PZ -0.02093 0.00000 0.02201 0.00000 0.00379
107 8PX 0.00000 0.09424 0.00000 -0.13704 0.00000
108 8PY -0.03853 0.00000 -0.06915 0.00000 -0.28738
109 8PZ 0.09235 0.00000 -0.11883 0.00000 0.02546
110 9PX 0.00000 0.04955 0.00000 -0.05037 0.00000
111 9PY 0.07697 0.00000 0.03239 0.00000 -0.05384
112 9PZ -0.00090 0.00000 -0.10893 0.00000 -0.16798
113 10D 0 0.02221 0.00000 -0.12175 0.00000 0.00774
114 10D+1 0.00000 -0.03605 0.00000 -0.12788 0.00000
115 10D-1 -0.14158 0.00000 0.03120 0.00000 -0.17511
116 10D+2 -0.00236 0.00000 0.01094 0.00000 0.02203
117 10D-2 0.00000 -0.09590 0.00000 0.05223 0.00000
118 11D 0 -0.00890 0.00000 0.05366 0.00000 -0.00780
119 11D+1 0.00000 0.01882 0.00000 0.06068 0.00000
120 11D-1 0.06449 0.00000 -0.00749 0.00000 0.06281
121 11D+2 0.00067 0.00000 -0.00691 0.00000 -0.02890
122 11D-2 0.00000 0.03075 0.00000 -0.01987 0.00000
123 12D 0 0.00839 0.00000 0.00897 0.00000 -0.03717
124 12D+1 0.00000 0.06468 0.00000 0.03066 0.00000
125 12D-1 -0.04319 0.00000 0.10487 0.00000 0.07564
126 12D+2 -0.01398 0.00000 -0.05527 0.00000 -0.10764
127 12D-2 0.00000 -0.00655 0.00000 0.12130 0.00000
128 13F 0 -0.06854 0.00000 -0.23927 0.00000 -0.15996
129 13F+1 0.00000 -0.20904 0.00000 -0.16869 0.00000
130 13F-1 -0.13120 0.00000 0.33412 0.00000 -0.09024
131 13F+2 -0.44537 0.00000 0.13040 0.00000 -0.40479
132 13F-2 0.00000 0.08275 0.00000 0.40277 0.00000
133 13F+3 0.00000 -0.25833 0.00000 0.06020 0.00000
134 13F-3 -0.08404 0.00000 -0.13344 0.00000 -0.13433
135 14F 0 0.01958 0.00000 0.12882 0.00000 0.07529
136 14F+1 0.00000 0.10368 0.00000 0.08957 0.00000
137 14F-1 0.05452 0.00000 -0.14348 0.00000 0.04208
138 14F+2 0.18998 0.00000 -0.04439 0.00000 0.18351
139 14F-2 0.00000 -0.05239 0.00000 -0.18708 0.00000
140 14F+3 0.00000 0.11745 0.00000 0.00578 0.00000
141 14F-3 0.04430 0.00000 0.07948 0.00000 0.08788
142 15G 0 -0.36775 0.00000 0.15003 0.00000 0.06351
143 15G+1 0.00000 0.19253 0.00000 -0.17263 0.00000
144 15G-1 0.11498 0.00000 0.13745 0.00000 0.27331
145 15G+2 0.01149 0.00000 0.21519 0.00000 -0.26649
146 15G-2 0.00000 0.45586 0.00000 0.08392 0.00000
147 15G+3 0.00000 -0.10190 0.00000 0.40260 0.00000
148 15G-3 0.12466 0.00000 -0.02954 0.00000 0.05350
149 15G+4 -0.05411 0.00000 -0.24159 0.00000 -0.08182
150 15G-4 0.00000 0.17933 0.00000 0.07630 0.00000
151 3 H 1S 0.01329 0.05716 -0.03300 0.03806 -0.02197
152 2S -0.04310 -0.09326 0.05384 -0.11424 0.06595
153 3S 0.05224 0.15878 -0.09167 0.45843 -0.26467
154 4S -0.19860 -0.16365 0.09448 -0.13195 0.07618
155 5S 0.01910 -0.00819 0.00473 0.00643 -0.00371
156 6PX -0.00118 -0.00008 0.00309 0.00274 0.00057
157 6PY 0.00068 0.00309 0.00349 0.00057 0.00340
158 6PZ 0.00520 0.00011 -0.00006 0.01579 -0.00912
159 7PX 0.01329 0.00835 -0.01158 0.03734 -0.00526
160 7PY -0.00768 -0.01158 -0.00502 -0.00526 0.03126
161 7PZ -0.02093 0.01906 -0.01100 0.00328 -0.00190
162 8PX -0.03337 -0.02830 0.07075 -0.24980 0.06510
163 8PY 0.01927 0.07075 0.05339 0.06510 -0.17463
164 8PZ 0.09235 -0.10291 0.05942 0.02205 -0.01273
165 9PX 0.06666 0.03668 0.00743 -0.05297 0.00150
166 9PY -0.03849 0.00743 0.04526 0.00150 -0.05124
167 9PZ -0.00090 -0.09434 0.05447 -0.14547 0.08399
168 10D 0 0.02221 -0.10544 0.06087 0.00671 -0.00387
169 10D+1 -0.12262 0.01439 -0.02912 -0.16330 0.02045
170 10D-1 0.07079 -0.02912 -0.01923 0.02045 -0.13969
171 10D+2 0.00118 -0.04626 -0.06919 0.01308 0.04468
172 10D-2 -0.00204 -0.01577 -0.04626 0.02958 0.01308
173 11D 0 -0.00890 0.04647 -0.02683 -0.00675 0.00390
174 11D+1 0.05585 -0.00091 0.01140 0.06228 -0.00092
175 11D-1 -0.03224 0.01140 0.01224 -0.00092 0.06121
176 11D+2 -0.00034 0.01631 0.02134 0.00391 -0.02213
177 11D-2 0.00058 0.00250 0.01631 -0.02664 0.00391
178 12D 0 0.00839 0.00777 -0.00448 -0.03219 0.01859
179 12D+1 -0.03741 0.09482 -0.01740 0.06439 -0.01948
180 12D-1 0.02160 -0.01740 0.07473 -0.01948 0.04190
181 12D+2 0.00699 0.02110 -0.01873 0.09913 0.06406
182 12D-2 -0.01211 -0.04309 0.02110 -0.05041 0.09913
183 13F 0 -0.06854 -0.20721 0.11964 -0.13853 0.07998
184 13F+1 -0.11363 0.19833 -0.23520 -0.10985 -0.03397
185 13F-1 0.06560 -0.23520 -0.07325 -0.03397 -0.14908
186 13F+2 0.22268 -0.02063 0.09466 0.34969 0.20088
187 13F-2 -0.38570 0.11848 -0.02063 -0.20290 0.34969
188 13F+3 0.00000 0.12917 0.22372 -0.03010 -0.05213
189 13F-3 -0.08404 -0.11556 0.06672 -0.11634 0.06717
190 14F 0 0.01958 0.11156 -0.06441 0.06520 -0.03764
191 14F+1 0.04722 -0.08169 0.10703 0.05395 0.02056
192 14F-1 -0.02726 0.10703 0.04189 0.02056 0.07770
193 14F+2 -0.09499 -0.00346 -0.05039 -0.16047 -0.09443
194 14F-2 0.16453 -0.04639 -0.00346 0.09086 -0.16047
195 14F+3 0.00000 -0.05872 -0.10171 -0.00289 -0.00501
196 14F-3 0.04430 0.06883 -0.03974 0.07611 -0.04394
197 15G 0 -0.36775 0.12993 -0.07501 0.05500 -0.03176
198 15G+1 0.09958 0.15122 0.02385 0.16182 -0.19310
199 15G-1 -0.05749 0.02385 0.17876 -0.19310 -0.06115
200 15G+2 -0.00575 0.10421 0.39569 0.15173 -0.00368
201 15G-2 0.00995 0.27536 0.10421 -0.17889 0.15173
202 15G+3 0.00000 0.05095 0.08825 -0.20130 -0.34866
203 15G-3 0.12466 -0.02558 0.01477 0.04634 -0.02675
204 15G+4 0.02705 0.02696 -0.19490 0.00239 -0.07768
205 15G-4 0.04686 0.22603 -0.02696 0.08044 -0.00239
206 4 H 1S 0.01329 -0.05716 -0.03300 -0.03806 -0.02197
207 2S -0.04310 0.09326 0.05384 0.11424 0.06595
208 3S 0.05224 -0.15878 -0.09167 -0.45843 -0.26467
209 4S -0.19860 0.16365 0.09448 0.13195 0.07618
210 5S 0.01910 0.00819 0.00473 -0.00643 -0.00371
211 6PX 0.00118 -0.00008 -0.00309 0.00274 -0.00057
212 6PY 0.00068 -0.00309 0.00349 -0.00057 0.00340
213 6PZ 0.00520 -0.00011 -0.00006 -0.01579 -0.00912
214 7PX -0.01329 0.00835 0.01158 0.03734 0.00526
215 7PY -0.00768 0.01158 -0.00502 0.00526 0.03126
216 7PZ -0.02093 -0.01906 -0.01100 -0.00328 -0.00190
217 8PX 0.03337 -0.02830 -0.07075 -0.24980 -0.06510
218 8PY 0.01927 -0.07075 0.05339 -0.06510 -0.17463
219 8PZ 0.09235 0.10291 0.05942 -0.02205 -0.01273
220 9PX -0.06666 0.03668 -0.00743 -0.05297 -0.00150
221 9PY -0.03849 -0.00743 0.04526 -0.00150 -0.05124
222 9PZ -0.00090 0.09434 0.05447 0.14547 0.08399
223 10D 0 0.02221 0.10544 0.06087 -0.00671 -0.00387
224 10D+1 0.12262 0.01439 0.02912 -0.16330 -0.02045
225 10D-1 0.07079 0.02912 -0.01923 -0.02045 -0.13969
226 10D+2 0.00118 0.04626 -0.06919 -0.01308 0.04468
227 10D-2 0.00204 -0.01577 0.04626 0.02958 -0.01308
228 11D 0 -0.00890 -0.04647 -0.02683 0.00675 0.00390
229 11D+1 -0.05585 -0.00091 -0.01140 0.06228 0.00092
230 11D-1 -0.03224 -0.01140 0.01224 0.00092 0.06121
231 11D+2 -0.00034 -0.01631 0.02134 -0.00391 -0.02213
232 11D-2 -0.00058 0.00250 -0.01631 -0.02664 -0.00391
233 12D 0 0.00839 -0.00777 -0.00448 0.03219 0.01859
234 12D+1 0.03741 0.09482 0.01740 0.06439 0.01948
235 12D-1 0.02160 0.01740 0.07473 0.01948 0.04190
236 12D+2 0.00699 -0.02110 -0.01873 -0.09913 0.06406
237 12D-2 0.01211 -0.04309 -0.02110 -0.05041 -0.09913
238 13F 0 -0.06854 0.20721 0.11964 0.13853 0.07998
239 13F+1 0.11363 0.19833 0.23520 -0.10985 0.03397
240 13F-1 0.06560 0.23520 -0.07325 0.03397 -0.14908
241 13F+2 0.22268 0.02063 0.09466 -0.34969 0.20088
242 13F-2 0.38570 0.11848 0.02063 -0.20290 -0.34969
243 13F+3 0.00000 0.12917 -0.22372 -0.03010 0.05213
244 13F-3 -0.08404 0.11556 0.06672 0.11634 0.06717
245 14F 0 0.01958 -0.11156 -0.06441 -0.06520 -0.03764
246 14F+1 -0.04722 -0.08169 -0.10703 0.05395 -0.02056
247 14F-1 -0.02726 -0.10703 0.04189 -0.02056 0.07770
248 14F+2 -0.09499 0.00346 -0.05039 0.16047 -0.09443
249 14F-2 -0.16453 -0.04639 0.00346 0.09086 0.16047
250 14F+3 0.00000 -0.05872 0.10171 -0.00289 0.00501
251 14F-3 0.04430 -0.06883 -0.03974 -0.07611 -0.04394
252 15G 0 -0.36775 -0.12993 -0.07501 -0.05500 -0.03176
253 15G+1 -0.09958 0.15122 -0.02385 0.16182 0.19310
254 15G-1 -0.05749 -0.02385 0.17876 0.19310 -0.06115
255 15G+2 -0.00575 -0.10421 0.39569 -0.15173 -0.00368
256 15G-2 -0.00995 0.27536 -0.10421 -0.17889 -0.15173
257 15G+3 0.00000 0.05095 -0.08825 -0.20130 0.34866
258 15G-3 0.12466 0.02558 0.01477 -0.04634 -0.02675
259 15G+4 0.02705 -0.02696 -0.19490 -0.00239 -0.07768
260 15G-4 -0.04686 0.22603 0.02696 0.08044 0.00239
206 207 208 209 210
(A2)--V (E)--V (E)--V (A1)--V (A1)--V
Eigenvalues -- 12.77568 12.84780 12.84780 12.85377 12.89807
1 1 Si 1S 0.00000 0.00000 0.00000 -0.02173 -0.00466
2 2S 0.00000 0.00000 0.00000 -0.04640 0.03381
3 3S 0.00000 0.00000 0.00000 -0.37378 -0.17788
4 4S 0.00000 0.00000 0.00000 -1.08603 -0.57884
5 5S 0.00000 0.00000 0.00000 1.08075 -0.12369
6 6S 0.00000 0.00000 0.00000 2.57060 2.54301
7 7S 0.00000 0.00000 0.00000 -0.36535 -0.09515
8 8PX 0.00000 0.00000 -0.12012 0.00000 0.00000
9 8PY 0.00000 -0.12012 0.00000 0.00000 0.00000
10 8PZ 0.00000 0.00000 0.00000 0.41827 -0.21972
11 9PX 0.00000 0.00000 -0.30443 0.00000 0.00000
12 9PY 0.00000 -0.30443 0.00000 0.00000 0.00000
13 9PZ 0.00000 0.00000 0.00000 0.71535 -0.32232
14 10PX 0.00000 0.00000 -0.91487 0.00000 0.00000
15 10PY 0.00000 -0.91487 0.00000 0.00000 0.00000
16 10PZ 0.00000 0.00000 0.00000 0.81012 -0.10916
17 11PX 0.00000 0.00000 2.23385 0.00000 0.00000
18 11PY 0.00000 2.23385 0.00000 0.00000 0.00000
19 11PZ 0.00000 0.00000 0.00000 -1.17120 -0.14138
20 12PX 0.00000 0.00000 0.70223 0.00000 0.00000
21 12PY 0.00000 0.70223 0.00000 0.00000 0.00000
22 12PZ 0.00000 0.00000 0.00000 -0.49153 -0.51704
23 13PX 0.00000 0.00000 -0.12271 0.00000 0.00000
24 13PY 0.00000 -0.12271 0.00000 0.00000 0.00000
25 13PZ 0.00000 0.00000 0.00000 0.04304 0.08006
26 14D 0 0.00000 0.00000 0.00000 0.00061 -0.19168
27 14D+1 0.00000 0.00000 -0.04397 0.00000 0.00000
28 14D-1 0.00000 -0.04397 0.00000 0.00000 0.00000
29 14D+2 0.00000 -0.08108 0.00000 0.00000 0.00000
30 14D-2 0.00000 0.00000 -0.08108 0.00000 0.00000
31 15D 0 0.00000 0.00000 0.00000 -0.16266 -0.50750
32 15D+1 0.00000 0.00000 -0.83397 0.00000 0.00000
33 15D-1 0.00000 -0.83397 0.00000 0.00000 0.00000
34 15D+2 0.00000 -1.39803 0.00000 0.00000 0.00000
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45 17D-2 0.00000 0.00000 0.15170 0.00000 0.00000
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51 18F+3 0.15847 0.00000 0.00000 0.00000 0.00000
52 18F-3 0.00000 0.00000 0.00000 0.07557 -0.19246
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54 19F+1 0.00000 0.00000 -0.11164 0.00000 0.00000
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56 19F+2 0.00000 0.43777 0.00000 0.00000 0.00000
57 19F-2 0.00000 0.00000 0.43777 0.00000 0.00000
58 19F+3 -0.00369 0.00000 0.00000 0.00000 0.00000
59 19F-3 0.00000 0.00000 0.00000 0.00159 -0.23915
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62 20F-1 0.00000 -0.12601 0.00000 0.00000 0.00000
63 20F+2 0.00000 0.19166 0.00000 0.00000 0.00000
64 20F-2 0.00000 0.00000 0.19166 0.00000 0.00000
65 20F+3 0.02016 0.00000 0.00000 0.00000 0.00000
66 20F-3 0.00000 0.00000 0.00000 -0.34855 -0.08460
67 21G 0 0.00000 0.00000 0.00000 -0.14939 0.08997
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71 21G-2 0.00000 0.00000 0.02293 0.00000 0.00000
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73 21G-3 0.00000 0.00000 0.00000 -0.14103 0.11818
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82 22G-3 0.00000 0.00000 0.00000 0.31367 0.11626
83 22G+4 0.00000 0.28658 0.00000 0.00000 0.00000
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91 23H-3 0.00000 0.00000 0.00000 -0.04394 -0.10151
92 23H+4 0.00000 -0.06132 0.00000 0.00000 0.00000
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97 2S 0.00000 0.36482 0.00000 -0.15456 0.25224
98 3S 0.00000 -1.57293 0.00000 -0.07116 -0.61660
99 4S 0.00000 -0.95265 0.00000 -1.13443 -0.67702
100 5S 0.00000 0.10272 0.00000 0.17406 0.04929
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102 6PY 0.00000 0.02292 0.00000 0.01829 0.01794
103 6PZ 0.00000 -0.01329 0.00000 -0.01228 0.00821
104 7PX -0.00716 0.00000 -0.01551 0.00000 0.00000
105 7PY 0.00000 -0.16563 0.00000 -0.08394 -0.04429
106 7PZ 0.00000 0.04119 0.00000 -0.00010 0.01061
107 8PX 0.03644 0.00000 0.11039 0.00000 0.00000
108 8PY 0.00000 1.01930 0.00000 0.37558 0.24422
109 8PZ 0.00000 -0.25942 0.00000 -0.01615 -0.04872
110 9PX 0.11421 0.00000 0.11001 0.00000 0.00000
111 9PY 0.00000 0.59642 0.00000 0.58438 0.25672
112 9PZ 0.00000 -0.14311 0.00000 -0.01243 -0.17181
113 10D 0 0.00000 0.05935 0.00000 0.03980 0.09574
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115 10D-1 0.00000 0.15133 0.00000 0.07590 -0.06543
116 10D+2 0.00000 0.25500 0.00000 0.15361 0.14468
117 10D-2 0.01181 0.00000 0.11843 0.00000 0.00000
118 11D 0 0.00000 0.00500 0.00000 -0.00852 -0.03685
119 11D+1 -0.03498 0.00000 0.03064 0.00000 0.00000
120 11D-1 0.00000 -0.02930 0.00000 -0.02328 0.03481
121 11D+2 0.00000 -0.05335 0.00000 -0.05216 -0.05959
122 11D-2 -0.00510 0.00000 -0.05825 0.00000 0.00000
123 12D 0 0.00000 0.19508 0.00000 0.18017 0.01636
124 12D+1 -0.00273 0.00000 0.06042 0.00000 0.00000
125 12D-1 0.00000 0.17173 0.00000 0.00899 0.07148
126 12D+2 0.00000 0.31262 0.00000 0.21887 0.06269
127 12D-2 -0.03801 0.00000 -0.07761 0.00000 0.00000
128 13F 0 0.00000 0.23612 0.00000 0.32872 -0.24696
129 13F+1 0.41108 0.00000 0.00970 0.00000 0.00000
130 13F-1 0.00000 -0.06538 0.00000 -0.06956 -0.29219
131 13F+2 0.00000 0.30973 0.00000 -0.02136 0.22344
132 13F-2 -0.14639 0.00000 0.09427 0.00000 0.00000
133 13F+3 -0.03926 0.00000 0.28376 0.00000 0.00000
134 13F-3 0.00000 -0.52934 0.00000 -0.34329 -0.23984
135 14F 0 0.00000 -0.07063 0.00000 -0.15141 0.13987
136 14F+1 -0.20050 0.00000 0.00313 0.00000 0.00000
137 14F-1 0.00000 -0.01154 0.00000 -0.02529 0.13441
138 14F+2 0.00000 -0.08762 0.00000 0.03081 -0.11093
139 14F-2 0.06518 0.00000 -0.05015 0.00000 0.00000
140 14F+3 0.01891 0.00000 -0.12521 0.00000 0.00000
141 14F-3 0.00000 0.18231 0.00000 0.11384 0.09743
142 15G 0 0.00000 -0.14630 0.00000 -0.03732 0.03924
143 15G+1 -0.35606 0.00000 0.04265 0.00000 0.00000
144 15G-1 0.00000 -0.06399 0.00000 -0.11090 -0.14531
145 15G+2 0.00000 -0.05750 0.00000 -0.01199 -0.07723
146 15G-2 0.13611 0.00000 0.09696 0.00000 0.00000
147 15G+3 -0.17584 0.00000 0.13497 0.00000 0.00000
148 15G-3 0.00000 -0.40876 0.00000 -0.23575 0.29538
149 15G+4 0.00000 -0.14629 0.00000 -0.27076 -0.15743
150 15G-4 -0.15877 0.00000 -0.07851 0.00000 0.00000
151 3 H 1S 0.00000 0.02447 -0.04239 0.18537 -0.11024
152 2S 0.00000 -0.18241 0.31595 -0.15456 0.25224
153 3S 0.00000 0.78646 -1.36219 -0.07116 -0.61660
154 4S 0.00000 0.47632 -0.82502 -1.13443 -0.67702
155 5S 0.00000 -0.05136 0.08896 0.17406 0.04929
156 6PX 0.00030 -0.01765 0.01273 0.01584 0.01553
157 6PY 0.00052 -0.00765 -0.01765 -0.00915 -0.00897
158 6PZ 0.00000 0.00664 -0.01151 -0.01228 0.00821
159 7PX 0.00358 0.06501 -0.12810 -0.07270 -0.03836
160 7PY 0.00620 -0.05304 0.06501 0.04197 0.02214
161 7PZ 0.00000 -0.02059 0.03567 -0.00010 0.01061
162 8PX -0.01822 -0.39357 0.79207 0.32526 0.21150
163 8PY -0.03156 0.33761 -0.39357 -0.18779 -0.12211
164 8PZ 0.00000 0.12971 -0.22466 -0.01615 -0.04872
165 9PX -0.05710 -0.21062 0.47481 0.50608 0.22232
166 9PY -0.09891 0.23161 -0.21062 -0.29219 -0.12836
167 9PZ 0.00000 0.07156 -0.12394 -0.01243 -0.17181
168 10D 0 0.00000 -0.02967 0.05139 0.03980 0.09574
169 10D+1 -0.03292 -0.09124 0.09865 0.06573 -0.05666
170 10D-1 -0.05702 -0.00670 -0.09124 -0.03795 0.03271
171 10D+2 -0.01022 0.15257 -0.05914 -0.07680 -0.07234
172 10D-2 -0.00590 -0.05914 0.22086 0.13303 0.12530
173 11D 0 0.00000 -0.00250 0.00433 -0.00852 -0.03685
174 11D+1 0.01749 0.02595 -0.01431 -0.02016 0.03015
175 11D-1 0.03030 0.01566 0.02595 0.01164 -0.01741
176 11D+2 0.00442 -0.05702 -0.00212 0.02608 0.02980
177 11D-2 0.00255 -0.00212 -0.05457 -0.04517 -0.05161
178 12D 0 0.00000 -0.09754 0.16894 0.18017 0.01636
179 12D+1 0.00137 -0.04820 0.14390 0.00778 0.06190
180 12D-1 0.00237 0.08825 -0.04820 -0.00449 -0.03574
181 12D+2 0.03292 0.01995 -0.16898 -0.10943 -0.03135
182 12D-2 0.01901 -0.16898 0.21506 0.18954 0.05429
183 13F 0 0.00000 -0.11806 0.20449 0.32872 -0.24696
184 13F+1 -0.20554 0.03251 -0.04661 -0.06024 -0.25304
185 13F-1 -0.35600 -0.00907 0.03251 0.03478 0.14610
186 13F+2 0.12677 0.14813 -0.09330 0.01068 -0.11172
187 13F-2 0.07319 -0.09330 0.25586 -0.01850 0.19350
188 13F+3 -0.03926 -0.24575 -0.14188 0.00000 0.00000
189 13F-3 0.00000 0.26467 -0.45843 -0.34329 -0.23984
190 14F 0 0.00000 0.03531 -0.06116 -0.15141 0.13987
191 14F+1 0.10025 0.00635 -0.00787 -0.02190 0.11640
192 14F-1 0.17364 -0.00054 0.00635 0.01264 -0.06720
193 14F+2 -0.05645 -0.05952 0.01622 -0.01540 0.05547
194 14F-2 -0.03259 0.01622 -0.07825 0.02668 -0.09607
195 14F+3 0.01891 0.10843 0.06260 0.00000 0.00000
196 14F-3 0.00000 -0.09116 0.15789 0.11384 0.09743
197 15G 0 0.00000 0.07315 -0.12670 -0.03732 0.03924
198 15G+1 0.17803 0.04618 -0.03733 -0.09604 -0.12584
199 15G-1 0.30836 0.01599 0.04618 0.05545 0.07265
200 15G+2 -0.11788 0.05834 0.06688 0.00599 0.03861
201 15G-2 -0.06806 0.06688 -0.01888 -0.01038 -0.06688
202 15G+3 -0.17584 -0.11689 -0.06748 0.00000 0.00000
203 15G-3 0.00000 0.20438 -0.35399 -0.23575 0.29538
204 15G+4 -0.13750 0.02231 0.09734 0.13538 0.07872
205 15G-4 0.07939 -0.09734 0.09009 0.23449 0.13634
206 4 H 1S 0.00000 0.02447 0.04239 0.18537 -0.11024
207 2S 0.00000 -0.18241 -0.31595 -0.15456 0.25224
208 3S 0.00000 0.78646 1.36219 -0.07116 -0.61660
209 4S 0.00000 0.47632 0.82502 -1.13443 -0.67702
210 5S 0.00000 -0.05136 -0.08896 0.17406 0.04929
211 6PX 0.00030 0.01765 0.01273 -0.01584 -0.01553
212 6PY -0.00052 -0.00765 0.01765 -0.00915 -0.00897
213 6PZ 0.00000 0.00664 0.01151 -0.01228 0.00821
214 7PX 0.00358 -0.06501 -0.12810 0.07270 0.03836
215 7PY -0.00620 -0.05304 -0.06501 0.04197 0.02214
216 7PZ 0.00000 -0.02059 -0.03567 -0.00010 0.01061
217 8PX -0.01822 0.39357 0.79207 -0.32526 -0.21150
218 8PY 0.03156 0.33761 0.39357 -0.18779 -0.12211
219 8PZ 0.00000 0.12971 0.22466 -0.01615 -0.04872
220 9PX -0.05710 0.21062 0.47481 -0.50608 -0.22232
221 9PY 0.09891 0.23161 0.21062 -0.29219 -0.12836
222 9PZ 0.00000 0.07156 0.12394 -0.01243 -0.17181
223 10D 0 0.00000 -0.02967 -0.05139 0.03980 0.09574
224 10D+1 -0.03292 0.09124 0.09865 -0.06573 0.05666
225 10D-1 0.05702 -0.00670 0.09124 -0.03795 0.03271
226 10D+2 0.01022 0.15257 0.05914 -0.07680 -0.07234
227 10D-2 -0.00590 0.05914 0.22086 -0.13303 -0.12530
228 11D 0 0.00000 -0.00250 -0.00433 -0.00852 -0.03685
229 11D+1 0.01749 -0.02595 -0.01431 0.02016 -0.03015
230 11D-1 -0.03030 0.01566 -0.02595 0.01164 -0.01741
231 11D+2 -0.00442 -0.05702 0.00212 0.02608 0.02980
232 11D-2 0.00255 0.00212 -0.05457 0.04517 0.05161
233 12D 0 0.00000 -0.09754 -0.16894 0.18017 0.01636
234 12D+1 0.00137 0.04820 0.14390 -0.00778 -0.06190
235 12D-1 -0.00237 0.08825 0.04820 -0.00449 -0.03574
236 12D+2 -0.03292 0.01995 0.16898 -0.10943 -0.03135
237 12D-2 0.01901 0.16898 0.21506 -0.18954 -0.05429
238 13F 0 0.00000 -0.11806 -0.20449 0.32872 -0.24696
239 13F+1 -0.20554 -0.03251 -0.04661 0.06024 0.25304
240 13F-1 0.35600 -0.00907 -0.03251 0.03478 0.14610
241 13F+2 -0.12677 0.14813 0.09330 0.01068 -0.11172
242 13F-2 0.07319 0.09330 0.25586 0.01850 -0.19350
243 13F+3 -0.03926 0.24575 -0.14188 0.00000 0.00000
244 13F-3 0.00000 0.26467 0.45843 -0.34329 -0.23984
245 14F 0 0.00000 0.03531 0.06116 -0.15141 0.13987
246 14F+1 0.10025 -0.00635 -0.00787 0.02190 -0.11640
247 14F-1 -0.17364 -0.00054 -0.00635 0.01264 -0.06720
248 14F+2 0.05645 -0.05952 -0.01622 -0.01540 0.05547
249 14F-2 -0.03259 -0.01622 -0.07825 -0.02668 0.09607
250 14F+3 0.01891 -0.10843 0.06260 0.00000 0.00000
251 14F-3 0.00000 -0.09116 -0.15789 0.11384 0.09743
252 15G 0 0.00000 0.07315 0.12670 -0.03732 0.03924
253 15G+1 0.17803 -0.04618 -0.03733 0.09604 0.12584
254 15G-1 -0.30836 0.01599 -0.04618 0.05545 0.07265
255 15G+2 0.11788 0.05834 -0.06688 0.00599 0.03861
256 15G-2 -0.06806 -0.06688 -0.01888 0.01038 0.06688
257 15G+3 -0.17584 0.11689 -0.06748 0.00000 0.00000
258 15G-3 0.00000 0.20438 0.35399 -0.23575 0.29538
259 15G+4 0.13750 0.02231 -0.09734 0.13538 0.07872
260 15G-4 0.07939 0.09734 0.09009 -0.23449 -0.13634
211 212 213 214 215
(E)--V (E)--V (E)--V (E)--V (A1)--V
Eigenvalues -- 12.95024 12.95024 12.96322 12.96322 13.22403
1 1 Si 1S 0.00000 0.00000 0.00000 0.00000 -0.00594
2 2S 0.00000 0.00000 0.00000 0.00000 -0.07220
3 3S 0.00000 0.00000 0.00000 0.00000 0.00166
4 4S 0.00000 0.00000 0.00000 0.00000 -0.05279
5 5S 0.00000 0.00000 0.00000 0.00000 0.63816
6 6S 0.00000 0.00000 0.00000 0.00000 -0.95158
7 7S 0.00000 0.00000 0.00000 0.00000 -0.32415
8 8PX 0.04572 0.00000 0.04271 0.00000 0.00000
9 8PY 0.00000 -0.04572 0.00000 0.04271 0.00000
10 8PZ 0.00000 0.00000 0.00000 0.00000 0.69534
11 9PX 0.04509 0.00000 0.07359 0.00000 0.00000
12 9PY 0.00000 -0.04509 0.00000 0.07359 0.00000
13 9PZ 0.00000 0.00000 0.00000 0.00000 1.13749
14 10PX -0.10679 0.00000 0.09800 0.00000 0.00000
15 10PY 0.00000 0.10679 0.00000 0.09800 0.00000
16 10PZ 0.00000 0.00000 0.00000 0.00000 0.98559
17 11PX 0.35418 0.00000 -0.19216 0.00000 0.00000
18 11PY 0.00000 -0.35418 0.00000 -0.19216 0.00000
19 11PZ 0.00000 0.00000 0.00000 0.00000 -0.90661
20 12PX 0.46670 0.00000 -0.20958 0.00000 0.00000
21 12PY 0.00000 -0.46670 0.00000 -0.20958 0.00000
22 12PZ 0.00000 0.00000 0.00000 0.00000 0.07703
23 13PX -0.04706 0.00000 -0.01442 0.00000 0.00000
24 13PY 0.00000 0.04706 0.00000 -0.01442 0.00000
25 13PZ 0.00000 0.00000 0.00000 0.00000 -0.00144
26 14D 0 0.00000 0.00000 0.00000 0.00000 0.19064
27 14D+1 -0.06536 0.00000 0.11857 0.00000 0.00000
28 14D-1 0.00000 0.06536 0.00000 0.11857 0.00000
29 14D+2 0.00000 0.09382 0.00000 0.10829 0.00000
30 14D-2 -0.09382 0.00000 0.10829 0.00000 0.00000
31 15D 0 0.00000 0.00000 0.00000 0.00000 0.29058
32 15D+1 -0.23465 0.00000 0.23610 0.00000 0.00000
33 15D-1 0.00000 0.23465 0.00000 0.23610 0.00000
34 15D+2 0.00000 -0.02788 0.00000 0.08836 0.00000
35 15D-2 0.02788 0.00000 0.08836 0.00000 0.00000
36 16D 0 0.00000 0.00000 0.00000 0.00000 -0.18278
37 16D+1 -0.00556 0.00000 -0.04290 0.00000 0.00000
38 16D-1 0.00000 0.00556 0.00000 -0.04290 0.00000
39 16D+2 0.00000 0.08242 0.00000 0.01048 0.00000
40 16D-2 -0.08242 0.00000 0.01048 0.00000 0.00000
41 17D 0 0.00000 0.00000 0.00000 0.00000 0.03735
42 17D+1 0.02680 0.00000 0.00639 0.00000 0.00000
43 17D-1 0.00000 -0.02680 0.00000 0.00639 0.00000
44 17D+2 0.00000 -0.02633 0.00000 -0.00208 0.00000
45 17D-2 0.02633 0.00000 -0.00208 0.00000 0.00000
46 18F 0 0.00000 0.00000 0.00000 0.00000 -0.02543
47 18F+1 -0.02909 0.00000 -0.05982 0.00000 0.00000
48 18F-1 0.00000 0.02909 0.00000 -0.05982 0.00000
49 18F+2 0.00000 -0.04333 0.00000 -0.07462 0.00000
50 18F-2 0.04333 0.00000 -0.07462 0.00000 0.00000
51 18F+3 0.00000 0.00000 0.00000 0.00000 0.00000
52 18F-3 0.00000 0.00000 0.00000 0.00000 0.11452
53 19F 0 0.00000 0.00000 0.00000 0.00000 0.39391
54 19F+1 0.03112 0.00000 0.03084 0.00000 0.00000
55 19F-1 0.00000 -0.03112 0.00000 0.03084 0.00000
56 19F+2 0.00000 0.06503 0.00000 -0.14580 0.00000
57 19F-2 -0.06503 0.00000 -0.14580 0.00000 0.00000
58 19F+3 0.00000 0.00000 0.00000 0.00000 0.00000
59 19F-3 0.00000 0.00000 0.00000 0.00000 -0.08412
60 20F 0 0.00000 0.00000 0.00000 0.00000 0.04268
61 20F+1 -0.01608 0.00000 -0.00193 0.00000 0.00000
62 20F-1 0.00000 0.01608 0.00000 -0.00193 0.00000
63 20F+2 0.00000 -0.02512 0.00000 0.00280 0.00000
64 20F-2 0.02512 0.00000 0.00280 0.00000 0.00000
65 20F+3 0.00000 0.00000 0.00000 0.00000 0.00000
66 20F-3 0.00000 0.00000 0.00000 0.00000 -0.08494
67 21G 0 0.00000 0.00000 0.00000 0.00000 -0.14623
68 21G+1 -0.03655 0.00000 -0.09599 0.00000 0.00000
69 21G-1 0.00000 0.03655 0.00000 -0.09599 0.00000
70 21G+2 0.00000 0.01168 0.00000 0.13866 0.00000
71 21G-2 -0.01168 0.00000 0.13866 0.00000 0.00000
72 21G+3 0.00000 0.00000 0.00000 0.00000 0.00000
73 21G-3 0.00000 0.00000 0.00000 0.00000 0.35283
74 21G+4 0.00000 -0.04813 0.00000 0.09749 0.00000
75 21G-4 -0.04813 0.00000 -0.09749 0.00000 0.00000
76 22G 0 0.00000 0.00000 0.00000 0.00000 -0.03306
77 22G+1 0.03903 0.00000 -0.04659 0.00000 0.00000
78 22G-1 0.00000 -0.03903 0.00000 -0.04659 0.00000
79 22G+2 0.00000 -0.01842 0.00000 0.00381 0.00000
80 22G-2 0.01842 0.00000 0.00381 0.00000 0.00000
81 22G+3 0.00000 0.00000 0.00000 0.00000 0.00000
82 22G-3 0.00000 0.00000 0.00000 0.00000 0.17086
83 22G+4 0.00000 -0.09264 0.00000 -0.01294 0.00000
84 22G-4 -0.09264 0.00000 0.01294 0.00000 0.00000
85 23H 0 0.00000 0.00000 0.00000 0.00000 -0.15335
86 23H+1 0.06691 0.00000 0.00720 0.00000 0.00000
87 23H-1 0.00000 -0.06691 0.00000 0.00720 0.00000
88 23H+2 0.00000 -0.03152 0.00000 -0.09032 0.00000
89 23H-2 0.03152 0.00000 -0.09032 0.00000 0.00000
90 23H+3 0.00000 0.00000 0.00000 0.00000 0.00000
91 23H-3 0.00000 0.00000 0.00000 0.00000 -0.14663
92 23H+4 0.00000 0.18376 0.00000 0.08858 0.00000
93 23H-4 0.18376 0.00000 -0.08858 0.00000 0.00000
94 23H+5 0.15773 0.00000 0.03278 0.00000 0.00000
95 23H-5 0.00000 0.15773 0.00000 -0.03278 0.00000
96 2 H 1S 0.00000 0.03572 0.00000 -0.05108 0.53947
97 2S 0.00000 -0.09578 0.00000 0.05631 -0.83392
98 3S 0.00000 0.14857 0.00000 0.08921 0.24364
99 4S 0.00000 0.49667 0.00000 0.33986 0.26041
100 5S 0.00000 -0.04526 0.00000 -0.00249 0.12858
101 6PX -0.01778 0.00000 0.00775 0.00000 0.00000
102 6PY 0.00000 -0.00556 0.00000 0.00000 0.01744
103 6PZ 0.00000 0.00589 0.00000 0.00723 -0.01669
104 7PX 0.03548 0.00000 0.00156 0.00000 0.00000
105 7PY 0.00000 0.02575 0.00000 0.01533 -0.03039
106 7PZ 0.00000 -0.00585 0.00000 0.01864 -0.03765
107 8PX -0.20861 0.00000 0.00298 0.00000 0.00000
108 8PY 0.00000 -0.11060 0.00000 -0.12518 0.29405
109 8PZ 0.00000 0.01265 0.00000 -0.07378 0.14626
110 9PX -0.01552 0.00000 -0.05729 0.00000 0.00000
111 9PY 0.00000 -0.20198 0.00000 -0.14600 -0.16623
112 9PZ 0.00000 0.04204 0.00000 -0.10802 0.27878
113 10D 0 0.00000 -0.04666 0.00000 0.09103 0.01628
114 10D+1 -0.11335 0.00000 -0.05519 0.00000 0.00000
115 10D-1 0.00000 -0.07628 0.00000 0.06353 -0.05462
116 10D+2 0.00000 -0.01878 0.00000 -0.08627 -0.02476
117 10D-2 0.20659 0.00000 -0.05819 0.00000 0.00000
118 11D 0 0.00000 0.01992 0.00000 -0.05476 0.00596
119 11D+1 0.05229 0.00000 0.03438 0.00000 0.00000
120 11D-1 0.00000 0.04058 0.00000 -0.04495 0.04381
121 11D+2 0.00000 0.00204 0.00000 0.03928 0.04763
122 11D-2 -0.07751 0.00000 0.02085 0.00000 0.00000
123 12D 0 0.00000 -0.03513 0.00000 -0.07700 0.15984
124 12D+1 -0.02290 0.00000 0.00408 0.00000 0.00000
125 12D-1 0.00000 -0.01549 0.00000 0.05811 -0.13762
126 12D+2 0.00000 -0.07082 0.00000 -0.04310 0.10194
127 12D-2 0.11505 0.00000 0.01410 0.00000 0.00000
128 13F 0 0.00000 0.15665 0.00000 0.28733 -0.31045
129 13F+1 0.06865 0.00000 0.44995 0.00000 0.00000
130 13F-1 0.00000 0.17259 0.00000 -0.10223 0.08975
131 13F+2 0.00000 -0.38179 0.00000 -0.04433 -0.12898
132 13F-2 0.35057 0.00000 0.29321 0.00000 0.00000
133 13F+3 0.16445 0.00000 -0.28840 0.00000 0.00000
134 13F-3 0.00000 -0.06728 0.00000 0.14370 0.25573
135 14F 0 0.00000 -0.10727 0.00000 -0.15119 0.20089
136 14F+1 -0.02744 0.00000 -0.26019 0.00000 0.00000
137 14F-1 0.00000 -0.08201 0.00000 0.06361 -0.11683
138 14F+2 0.00000 0.20276 0.00000 0.03261 0.06682
139 14F-2 -0.16028 0.00000 -0.16140 0.00000 0.00000
140 14F+3 -0.02518 0.00000 0.14712 0.00000 0.00000
141 14F-3 0.00000 0.05616 0.00000 -0.06066 -0.19176
142 15G 0 0.00000 -0.37412 0.00000 -0.06507 0.03021
143 15G+1 0.02932 0.00000 -0.30159 0.00000 0.00000
144 15G-1 0.00000 0.22857 0.00000 0.08545 -0.27047
145 15G+2 0.00000 0.08885 0.00000 0.00038 -0.03804
146 15G-2 0.02763 0.00000 0.39687 0.00000 0.00000
147 15G+3 -0.03126 0.00000 -0.15673 0.00000 0.00000
148 15G-3 0.00000 -0.32472 0.00000 -0.09817 -0.05146
149 15G+4 0.00000 0.18067 0.00000 0.09321 -0.16595
150 15G-4 -0.25403 0.00000 -0.18916 0.00000 0.00000
151 3 H 1S -0.03094 -0.01786 -0.04424 0.02554 0.53947
152 2S 0.08294 0.04789 0.04877 -0.02816 -0.83392
153 3S -0.12867 -0.07429 0.07726 -0.04461 0.24364
154 4S -0.43013 -0.24833 0.29433 -0.16993 0.26041
155 5S 0.03920 0.02263 -0.00215 0.00124 0.12858
156 6PX -0.00028 0.01011 0.00194 0.00336 0.01511
157 6PY -0.01011 0.01195 0.00336 0.00582 -0.00872
158 6PZ -0.00510 -0.00295 0.00626 -0.00362 -0.01669
159 7PX -0.01044 -0.02651 0.01189 -0.00597 -0.02632
160 7PY 0.02651 -0.02017 -0.00597 0.00500 0.01520
161 7PZ 0.00507 0.00293 0.01614 -0.00932 -0.03765
162 8PX 0.03080 0.13822 -0.09314 0.05549 0.25466
163 8PY -0.13822 0.12881 0.05549 -0.02906 -0.14703
164 8PZ -0.01095 -0.00632 -0.06390 0.03689 0.14626
165 9PX 0.14760 0.09418 -0.12382 0.03841 -0.14396
166 9PY -0.09418 -0.03885 0.03841 -0.07947 0.08311
167 9PZ -0.03641 -0.02102 -0.09355 0.05401 0.27878
168 10D 0 0.04040 0.02333 0.07883 -0.04551 0.01628
169 10D+1 0.02887 0.08211 0.03385 -0.05141 -0.04730
170 10D-1 -0.08211 0.06594 -0.05141 -0.02551 0.02731
171 10D+2 0.08132 -0.15964 0.01216 -0.06521 0.01238
172 10D-2 0.06573 -0.08132 -0.07925 0.01216 -0.02145
173 11D 0 -0.01725 -0.00996 -0.04742 0.02738 0.00596
174 11D+1 -0.01736 -0.04021 -0.02512 0.03435 0.03794
175 11D-1 0.04021 -0.02907 0.03435 0.01455 -0.02191
176 11D+2 -0.03268 0.05864 -0.00798 0.02546 -0.02382
177 11D-2 -0.02090 0.03268 0.03467 -0.00798 0.04125
178 12D 0 0.03043 0.01757 -0.06668 0.03850 0.15984
179 12D+1 0.00589 0.01663 0.04460 -0.02340 -0.11918
180 12D-1 -0.01663 0.01331 -0.02340 0.01759 0.06881
181 12D+2 0.01915 -0.10399 0.02477 -0.00020 -0.05097
182 12D-2 0.08188 -0.01915 -0.02880 0.02477 0.08828
183 13F 0 -0.13566 -0.07833 0.24883 -0.14366 -0.31045
184 13F+1 -0.11228 -0.10446 0.03581 0.23910 0.07773
185 13F-1 0.10446 -0.00834 0.23910 0.31190 -0.04488
186 13F+2 -0.01352 -0.35837 0.14616 0.20882 0.06449
187 13F-2 0.37398 0.01352 0.04005 0.14616 -0.11170
188 13F+3 -0.08223 0.14242 0.14420 0.24976 0.00000
189 13F-3 0.05827 0.03364 0.12445 -0.07185 0.25573
190 14F 0 0.09290 0.05364 -0.13093 0.07559 0.20089
191 14F+1 0.05465 0.04739 -0.01734 -0.14021 -0.10118
192 14F-1 -0.04739 0.00008 -0.14021 -0.17924 0.05842
193 14F+2 0.01840 0.17090 -0.08401 -0.11290 -0.03341
194 14F-2 -0.19214 -0.01840 -0.01589 -0.08401 0.05787
195 14F+3 0.01259 -0.02180 -0.07356 -0.12741 0.00000
196 14F-3 -0.04864 -0.02808 -0.05254 0.03033 -0.19176
197 15G 0 0.32400 0.18706 -0.05635 0.03254 0.03021
198 15G+1 -0.16409 -0.11167 -0.01131 -0.16760 -0.23423
199 15G-1 0.11167 0.03515 -0.16760 -0.20483 0.13523
200 15G+2 0.05044 0.00149 0.17169 0.29775 0.01902
201 15G-2 -0.05973 -0.05044 0.09950 0.17169 -0.03294
202 15G+3 0.01563 -0.02707 0.07836 0.13573 0.00000
203 15G-3 0.28122 0.16236 -0.08502 0.04909 -0.05146
204 15G+4 0.18823 -0.14535 0.04155 0.16517 0.08297
205 15G-4 0.07200 0.18823 -0.11720 -0.04155 0.14372
206 4 H 1S 0.03094 -0.01786 0.04424 0.02554 0.53947
207 2S -0.08294 0.04789 -0.04877 -0.02816 -0.83392
208 3S 0.12867 -0.07429 -0.07726 -0.04461 0.24364
209 4S 0.43013 -0.24833 -0.29433 -0.16993 0.26041
210 5S -0.03920 0.02263 0.00215 0.00124 0.12858
211 6PX -0.00028 -0.01011 0.00194 -0.00336 -0.01511
212 6PY 0.01011 0.01195 -0.00336 0.00582 -0.00872
213 6PZ 0.00510 -0.00295 -0.00626 -0.00362 -0.01669
214 7PX -0.01044 0.02651 0.01189 0.00597 0.02632
215 7PY -0.02651 -0.02017 0.00597 0.00500 0.01520
216 7PZ -0.00507 0.00293 -0.01614 -0.00932 -0.03765
217 8PX 0.03080 -0.13822 -0.09314 -0.05549 -0.25466
218 8PY 0.13822 0.12881 -0.05549 -0.02906 -0.14703
219 8PZ 0.01095 -0.00632 0.06390 0.03689 0.14626
220 9PX 0.14760 -0.09418 -0.12382 -0.03841 0.14396
221 9PY 0.09418 -0.03885 -0.03841 -0.07947 0.08311
222 9PZ 0.03641 -0.02102 0.09355 0.05401 0.27878
223 10D 0 -0.04040 0.02333 -0.07883 -0.04551 0.01628
224 10D+1 0.02887 -0.08211 0.03385 0.05141 0.04730
225 10D-1 0.08211 0.06594 0.05141 -0.02551 0.02731
226 10D+2 -0.08132 -0.15964 -0.01216 -0.06521 0.01238
227 10D-2 0.06573 0.08132 -0.07925 -0.01216 0.02145
228 11D 0 0.01725 -0.00996 0.04742 0.02738 0.00596
229 11D+1 -0.01736 0.04021 -0.02512 -0.03435 -0.03794
230 11D-1 -0.04021 -0.02907 -0.03435 0.01455 -0.02191
231 11D+2 0.03268 0.05864 0.00798 0.02546 -0.02382
232 11D-2 -0.02090 -0.03268 0.03467 0.00798 -0.04125
233 12D 0 -0.03043 0.01757 0.06668 0.03850 0.15984
234 12D+1 0.00589 -0.01663 0.04460 0.02340 0.11918
235 12D-1 0.01663 0.01331 0.02340 0.01759 0.06881
236 12D+2 -0.01915 -0.10399 -0.02477 -0.00020 -0.05097
237 12D-2 0.08188 0.01915 -0.02880 -0.02477 -0.08828
238 13F 0 0.13566 -0.07833 -0.24883 -0.14366 -0.31045
239 13F+1 -0.11228 0.10446 0.03581 -0.23910 -0.07773
240 13F-1 -0.10446 -0.00834 -0.23910 0.31190 -0.04488
241 13F+2 0.01352 -0.35837 -0.14616 0.20882 0.06449
242 13F-2 0.37398 -0.01352 0.04005 -0.14616 0.11170
243 13F+3 -0.08223 -0.14242 0.14420 -0.24976 0.00000
244 13F-3 -0.05827 0.03364 -0.12445 -0.07185 0.25573
245 14F 0 -0.09290 0.05364 0.13093 0.07559 0.20089
246 14F+1 0.05465 -0.04739 -0.01734 0.14021 0.10118
247 14F-1 0.04739 0.00008 0.14021 -0.17924 0.05842
248 14F+2 -0.01840 0.17090 0.08401 -0.11290 -0.03341
249 14F-2 -0.19214 0.01840 -0.01589 0.08401 -0.05787
250 14F+3 0.01259 0.02180 -0.07356 0.12741 0.00000
251 14F-3 0.04864 -0.02808 0.05254 0.03033 -0.19176
252 15G 0 -0.32400 0.18706 0.05635 0.03254 0.03021
253 15G+1 -0.16409 0.11167 -0.01131 0.16760 0.23423
254 15G-1 -0.11167 0.03515 0.16760 -0.20483 0.13523
255 15G+2 -0.05044 0.00149 -0.17169 0.29775 0.01902
256 15G-2 -0.05973 0.05044 0.09950 -0.17169 0.03294
257 15G+3 0.01563 0.02707 0.07836 -0.13573 0.00000
258 15G-3 -0.28122 0.16236 0.08502 0.04909 -0.05146
259 15G+4 -0.18823 -0.14535 -0.04155 0.16517 0.08297
260 15G-4 0.07200 -0.18823 -0.11720 0.04155 -0.14372
216 217 218 219 220
(E)--V (E)--V (A1)--V (E)--V (E)--V
Eigenvalues -- 13.27618 13.27618 13.36962 13.46844 13.46844
1 1 Si 1S 0.00000 0.00000 0.00047 0.00000 0.00000
2 2S 0.00000 0.00000 0.02716 0.00000 0.00000
3 3S 0.00000 0.00000 -0.06814 0.00000 0.00000
4 4S 0.00000 0.00000 -0.30864 0.00000 0.00000
5 5S 0.00000 0.00000 -0.26052 0.00000 0.00000
6 6S 0.00000 0.00000 2.59555 0.00000 0.00000
7 7S 0.00000 0.00000 0.16752 0.00000 0.00000
8 8PX -0.63505 0.00000 0.00000 -0.30091 0.00000
9 8PY 0.00000 -0.63505 0.00000 0.00000 -0.30091
10 8PZ 0.00000 0.00000 0.18948 0.00000 0.00000
11 9PX -1.05092 0.00000 0.00000 -0.52477 0.00000
12 9PY 0.00000 -1.05092 0.00000 0.00000 -0.52477
13 9PZ 0.00000 0.00000 0.32330 0.00000 0.00000
14 10PX -1.14765 0.00000 0.00000 -0.76899 0.00000
15 10PY 0.00000 -1.14765 0.00000 0.00000 -0.76899
16 10PZ 0.00000 0.00000 0.34938 0.00000 0.00000
17 11PX 2.05596 0.00000 0.00000 1.80477 0.00000
18 11PY 0.00000 2.05596 0.00000 0.00000 1.80477
19 11PZ 0.00000 0.00000 -0.47892 0.00000 0.00000
20 12PX 1.47126 0.00000 0.00000 1.46160 0.00000
21 12PY 0.00000 1.47126 0.00000 0.00000 1.46160
22 12PZ 0.00000 0.00000 -0.39670 0.00000 0.00000
23 13PX -0.06437 0.00000 0.00000 0.01828 0.00000
24 13PY 0.00000 -0.06437 0.00000 0.00000 0.01828
25 13PZ 0.00000 0.00000 -0.01862 0.00000 0.00000
26 14D 0 0.00000 0.00000 -0.20980 0.00000 0.00000
27 14D+1 -0.21474 0.00000 0.00000 -0.22872 0.00000
28 14D-1 0.00000 -0.21474 0.00000 0.00000 -0.22872
29 14D+2 0.00000 -0.18252 0.00000 0.00000 -0.41796
30 14D-2 -0.18252 0.00000 0.00000 -0.41796 0.00000
31 15D 0 0.00000 0.00000 -0.64044 0.00000 0.00000
32 15D+1 -0.56487 0.00000 0.00000 -0.91219 0.00000
33 15D-1 0.00000 -0.56487 0.00000 0.00000 -0.91219
34 15D+2 0.00000 -0.43333 0.00000 0.00000 -0.84907
35 15D-2 -0.43333 0.00000 0.00000 -0.84907 0.00000
36 16D 0 0.00000 0.00000 0.13176 0.00000 0.00000
37 16D+1 -0.06303 0.00000 0.00000 -0.04339 0.00000
38 16D-1 0.00000 -0.06303 0.00000 0.00000 -0.04339
39 16D+2 0.00000 -0.26877 0.00000 0.00000 -0.05436
40 16D-2 -0.26877 0.00000 0.00000 -0.05436 0.00000
41 17D 0 0.00000 0.00000 -0.01072 0.00000 0.00000
42 17D+1 0.01740 0.00000 0.00000 0.05989 0.00000
43 17D-1 0.00000 0.01740 0.00000 0.00000 0.05989
44 17D+2 0.00000 0.07395 0.00000 0.00000 0.03056
45 17D-2 0.07395 0.00000 0.00000 0.03056 0.00000
46 18F 0 0.00000 0.00000 0.01861 0.00000 0.00000
47 18F+1 -0.07316 0.00000 0.00000 -0.08017 0.00000
48 18F-1 0.00000 -0.07316 0.00000 0.00000 -0.08017
49 18F+2 0.00000 -0.05645 0.00000 0.00000 0.12542
50 18F-2 -0.05645 0.00000 0.00000 0.12542 0.00000
51 18F+3 0.00000 0.00000 0.00000 0.00000 0.00000
52 18F-3 0.00000 0.00000 -0.23154 0.00000 0.00000
53 19F 0 0.00000 0.00000 0.38723 0.00000 0.00000
54 19F+1 -0.42818 0.00000 0.00000 -0.12473 0.00000
55 19F-1 0.00000 -0.42818 0.00000 0.00000 -0.12473
56 19F+2 0.00000 0.19620 0.00000 0.00000 0.02723
57 19F-2 0.19620 0.00000 0.00000 0.02723 0.00000
58 19F+3 0.00000 0.00000 0.00000 0.00000 0.00000
59 19F-3 0.00000 0.00000 0.07458 0.00000 0.00000
60 20F 0 0.00000 0.00000 0.05366 0.00000 0.00000
61 20F+1 -0.07011 0.00000 0.00000 -0.05011 0.00000
62 20F-1 0.00000 -0.07011 0.00000 0.00000 -0.05011
63 20F+2 0.00000 0.14378 0.00000 0.00000 0.10588
64 20F-2 0.14378 0.00000 0.00000 0.10588 0.00000
65 20F+3 0.00000 0.00000 0.00000 0.00000 0.00000
66 20F-3 0.00000 0.00000 -0.00776 0.00000 0.00000
67 21G 0 0.00000 0.00000 0.07864 0.00000 0.00000
68 21G+1 0.18361 0.00000 0.00000 0.21764 0.00000
69 21G-1 0.00000 0.18361 0.00000 0.00000 0.21764
70 21G+2 0.00000 0.05655 0.00000 0.00000 0.18878
71 21G-2 0.05655 0.00000 0.00000 0.18878 0.00000
72 21G+3 0.00000 0.00000 0.00000 0.00000 0.00000
73 21G-3 0.00000 0.00000 -0.00569 0.00000 0.00000
74 21G+4 0.00000 0.48418 0.00000 0.00000 0.02440
75 21G-4 -0.48418 0.00000 0.00000 -0.02440 0.00000
76 22G 0 0.00000 0.00000 0.04648 0.00000 0.00000
77 22G+1 0.17928 0.00000 0.00000 0.24997 0.00000
78 22G-1 0.00000 0.17928 0.00000 0.00000 0.24997
79 22G+2 0.00000 0.00240 0.00000 0.00000 0.16466
80 22G-2 0.00240 0.00000 0.00000 0.16466 0.00000
81 22G+3 0.00000 0.00000 0.00000 0.00000 0.00000
82 22G-3 0.00000 0.00000 0.02800 0.00000 0.00000
83 22G+4 0.00000 0.20975 0.00000 0.00000 0.01277
84 22G-4 -0.20975 0.00000 0.00000 -0.01277 0.00000
85 23H 0 0.00000 0.00000 -0.23168 0.00000 0.00000
86 23H+1 0.03548 0.00000 0.00000 -0.11152 0.00000
87 23H-1 0.00000 0.03548 0.00000 0.00000 -0.11152
88 23H+2 0.00000 -0.17243 0.00000 0.00000 -0.21120
89 23H-2 -0.17243 0.00000 0.00000 -0.21120 0.00000
90 23H+3 0.00000 0.00000 0.00000 0.00000 0.00000
91 23H-3 0.00000 0.00000 0.10263 0.00000 0.00000
92 23H+4 0.00000 -0.22620 0.00000 0.00000 -0.21170
93 23H-4 0.22620 0.00000 0.00000 0.21170 0.00000
94 23H+5 0.03654 0.00000 0.00000 -0.07716 0.00000
95 23H-5 0.00000 -0.03654 0.00000 0.00000 0.07716
96 2 H 1S 0.00000 0.60705 -0.11367 0.00000 0.16079
97 2S 0.00000 -0.85079 0.21639 0.00000 -0.14459
98 3S 0.00000 -0.39911 -0.43462 0.00000 -0.81764
99 4S 0.00000 -1.66403 -0.83090 0.00000 -1.78775
100 5S 0.00000 0.18090 -0.01649 0.00000 0.02554
101 6PX 0.00064 0.00000 0.00000 0.02527 0.00000
102 6PY 0.00000 0.03423 -0.01062 0.00000 0.01071
103 6PZ 0.00000 0.01184 -0.01663 0.00000 -0.00531
104 7PX 0.06324 0.00000 0.00000 0.00753 0.00000
105 7PY 0.00000 -0.05334 -0.00330 0.00000 -0.05009
106 7PZ 0.00000 0.03766 0.00497 0.00000 0.01875
107 8PX -0.31848 0.00000 0.00000 -0.05626 0.00000
108 8PY 0.00000 0.63738 0.12672 0.00000 0.62014
109 8PZ 0.00000 -0.30548 -0.07085 0.00000 -0.18278
110 9PX -0.34899 0.00000 0.00000 -0.05090 0.00000
111 9PY 0.00000 0.53546 0.36223 0.00000 0.72933
112 9PZ 0.00000 -0.31420 -0.14608 0.00000 -0.24998
113 10D 0 0.00000 -0.00656 -0.20784 0.00000 -0.19163
114 10D+1 0.14594 0.00000 0.00000 -0.19939 0.00000
115 10D-1 0.00000 -0.07224 0.04006 0.00000 -0.00421
116 10D+2 0.00000 -0.03587 0.07362 0.00000 0.11308
117 10D-2 0.22593 0.00000 0.00000 -0.21103 0.00000
118 11D 0 0.00000 0.03977 0.13136 0.00000 0.15800
119 11D+1 -0.09464 0.00000 0.00000 0.12615 0.00000
120 11D-1 0.00000 0.07898 -0.00942 0.00000 0.02444
121 11D+2 0.00000 0.09401 -0.03317 0.00000 -0.01224
122 11D-2 -0.12875 0.00000 0.00000 0.14480 0.00000
123 12D 0 0.00000 0.09807 0.12943 0.00000 0.23759
124 12D+1 -0.15071 0.00000 0.00000 0.15487 0.00000
125 12D-1 0.00000 0.26902 0.08988 0.00000 0.21398
126 12D+2 0.00000 0.24715 -0.01995 0.00000 0.22074
127 12D-2 0.27341 0.00000 0.00000 0.11303 0.00000
128 13F 0 0.00000 -0.22388 -0.18266 0.00000 -0.18862
129 13F+1 0.29974 0.00000 0.00000 -0.23951 0.00000
130 13F-1 0.00000 0.17826 0.35840 0.00000 0.30240
131 13F+2 0.00000 -0.31091 -0.01911 0.00000 -0.14810
132 13F-2 -0.21399 0.00000 0.00000 0.41361 0.00000
133 13F+3 0.23886 0.00000 0.00000 -0.27945 0.00000
134 13F-3 0.00000 0.20524 -0.37894 0.00000 -0.16016
135 14F 0 0.00000 0.20224 0.15795 0.00000 0.19413
136 14F+1 -0.18933 0.00000 0.00000 0.19739 0.00000
137 14F-1 0.00000 -0.14906 -0.26314 0.00000 -0.27825
138 14F+2 0.00000 0.26016 0.03757 0.00000 0.16168
139 14F-2 0.17849 0.00000 0.00000 -0.34035 0.00000
140 14F+3 -0.07435 0.00000 0.00000 0.23661 0.00000
141 14F-3 0.00000 -0.19606 0.27578 0.00000 0.06528
142 15G 0 0.00000 0.00906 -0.11829 0.00000 -0.08817
143 15G+1 -0.01562 0.00000 0.00000 -0.06984 0.00000
144 15G-1 0.00000 -0.33310 -0.22546 0.00000 -0.29165
145 15G+2 0.00000 -0.12728 -0.05242 0.00000 -0.16866
146 15G-2 0.20122 0.00000 0.00000 -0.24270 0.00000
147 15G+3 0.05466 0.00000 0.00000 -0.28198 0.00000
148 15G-3 0.00000 -0.16933 -0.02081 0.00000 -0.16281
149 15G+4 0.00000 -0.18181 0.24615 0.00000 0.09773
150 15G-4 -0.01515 0.00000 0.00000 -0.18629 0.00000
151 3 H 1S 0.52572 -0.30352 -0.11367 0.13925 -0.08039
152 2S -0.73681 0.42540 0.21639 -0.12522 0.07230
153 3S -0.34564 0.19955 -0.43462 -0.70810 0.40882
154 4S -1.44110 0.83202 -0.83090 -1.54824 0.89388
155 5S 0.15666 -0.09045 -0.01649 0.02212 -0.01277
156 6PX 0.02583 -0.01454 -0.00920 0.01435 0.00631
157 6PY -0.01454 0.00904 0.00531 0.00631 0.02163
158 6PZ 0.01026 -0.00592 -0.01663 -0.00460 0.00265
159 7PX -0.02419 0.05048 -0.00285 -0.03568 0.02495
160 7PY 0.05048 0.03409 0.00165 0.02495 -0.00687
161 7PZ 0.03262 -0.01883 0.00497 0.01624 -0.00938
162 8PX 0.39841 -0.41390 0.10974 0.45104 -0.29289
163 8PY -0.41390 -0.07951 -0.06336 -0.29289 0.11284
164 8PZ -0.26455 0.15274 -0.07085 -0.15829 0.09139
165 9PX 0.31435 -0.38298 0.31370 0.53427 -0.33785
166 9PY -0.38298 -0.12788 -0.18112 -0.33785 0.14416
167 9PZ -0.27211 0.15710 -0.14608 -0.21649 0.12499
168 10D 0 -0.00568 0.00328 -0.20784 -0.16595 0.09581
169 10D+1 -0.01769 0.09447 0.03469 -0.05300 -0.08451
170 10D-1 0.09447 0.09140 -0.02003 -0.08451 -0.15059
171 10D+2 0.11336 0.16048 -0.03681 -0.14034 -0.13000
172 10D-2 0.02958 0.11336 0.06376 0.03205 -0.14034
173 11D 0 0.03444 -0.01989 0.13136 0.13683 -0.07900
174 11D+1 0.03557 -0.07518 -0.00816 0.04987 0.04404
175 11D-1 -0.07518 -0.05123 0.00471 0.04404 0.10072
176 11D+2 -0.09646 -0.07306 0.01658 0.06800 0.10554
177 11D-2 0.03832 -0.09646 -0.02872 0.02702 0.06800
178 12D 0 0.08493 -0.04904 0.12943 0.20576 -0.11879
179 12D+1 0.16409 -0.18175 0.07784 0.19920 -0.02559
180 12D-1 -0.18175 -0.04578 -0.04494 -0.02559 0.16965
181 12D+2 0.01137 0.26685 0.00997 -0.04664 0.13996
182 12D-2 0.25371 0.01137 -0.01728 0.19382 -0.04664
183 13F 0 -0.19389 0.11194 -0.18266 -0.16335 0.09431
184 13F+1 0.20863 0.05260 0.31038 0.16692 -0.23465
185 13F-1 0.05260 0.26937 -0.17920 -0.23465 -0.10403
186 13F+2 0.04197 -0.23822 0.00956 0.24323 0.27318
187 13F-2 -0.28668 0.04197 -0.01655 -0.00767 0.24323
188 13F+3 -0.11943 -0.20686 0.00000 0.13973 0.24201
189 13F-3 0.17774 -0.10262 -0.37894 -0.13870 0.08008
190 14F 0 0.17514 -0.10112 0.15795 0.16812 -0.09707
191 14F+1 -0.15912 -0.01744 -0.22788 -0.15934 0.20596
192 14F-1 -0.01744 -0.17926 0.13157 0.20596 0.07848
193 14F+2 -0.03536 0.19891 -0.01878 -0.21739 -0.21484
194 14F-2 0.23974 -0.03536 0.03253 0.03618 -0.21739
195 14F+3 0.03717 0.06439 0.00000 -0.11830 -0.20491
196 14F-3 -0.16980 0.09803 0.27578 0.05653 -0.03264
197 15G 0 0.00784 -0.00453 -0.11829 -0.07635 0.04408
198 15G+1 -0.25373 0.13747 -0.19525 -0.23619 0.09605
199 15G-1 0.13747 -0.09499 0.11273 0.09605 -0.12529
200 15G+2 0.14225 0.11909 0.02621 -0.03206 -0.22419
201 15G-2 -0.04516 0.14225 -0.04540 -0.18717 -0.03206
202 15G+3 -0.02733 -0.04734 0.00000 0.14099 0.24421
203 15G-3 -0.14664 0.08466 -0.02081 -0.14100 0.08141
204 15G+4 0.08529 -0.03409 -0.12307 0.03835 0.16415
205 15G-4 0.13257 -0.08529 -0.21317 -0.11987 -0.03835
206 4 H 1S -0.52572 -0.30352 -0.11367 -0.13925 -0.08039
207 2S 0.73681 0.42540 0.21639 0.12522 0.07230
208 3S 0.34564 0.19955 -0.43462 0.70810 0.40882
209 4S 1.44110 0.83202 -0.83090 1.54824 0.89388
210 5S -0.15666 -0.09045 -0.01649 -0.02212 -0.01277
211 6PX 0.02583 0.01454 0.00920 0.01435 -0.00631
212 6PY 0.01454 0.00904 0.00531 -0.00631 0.02163
213 6PZ -0.01026 -0.00592 -0.01663 0.00460 0.00265
214 7PX -0.02419 -0.05048 0.00285 -0.03568 -0.02495
215 7PY -0.05048 0.03409 0.00165 -0.02495 -0.00687
216 7PZ -0.03262 -0.01883 0.00497 -0.01624 -0.00938
217 8PX 0.39841 0.41390 -0.10974 0.45104 0.29289
218 8PY 0.41390 -0.07951 -0.06336 0.29289 0.11284
219 8PZ 0.26455 0.15274 -0.07085 0.15829 0.09139
220 9PX 0.31435 0.38298 -0.31370 0.53427 0.33785
221 9PY 0.38298 -0.12788 -0.18112 0.33785 0.14416
222 9PZ 0.27211 0.15710 -0.14608 0.21649 0.12499
223 10D 0 0.00568 0.00328 -0.20784 0.16595 0.09581
224 10D+1 -0.01769 -0.09447 -0.03469 -0.05300 0.08451
225 10D-1 -0.09447 0.09140 -0.02003 0.08451 -0.15059
226 10D+2 -0.11336 0.16048 -0.03681 0.14034 -0.13000
227 10D-2 0.02958 -0.11336 -0.06376 0.03205 0.14034
228 11D 0 -0.03444 -0.01989 0.13136 -0.13683 -0.07900
229 11D+1 0.03557 0.07518 0.00816 0.04987 -0.04404
230 11D-1 0.07518 -0.05123 0.00471 -0.04404 0.10072
231 11D+2 0.09646 -0.07306 0.01658 -0.06800 0.10554
232 11D-2 0.03832 0.09646 0.02872 0.02702 -0.06800
233 12D 0 -0.08493 -0.04904 0.12943 -0.20576 -0.11879
234 12D+1 0.16409 0.18175 -0.07784 0.19920 0.02559
235 12D-1 0.18175 -0.04578 -0.04494 0.02559 0.16965
236 12D+2 -0.01137 0.26685 0.00997 0.04664 0.13996
237 12D-2 0.25371 -0.01137 0.01728 0.19382 0.04664
238 13F 0 0.19389 0.11194 -0.18266 0.16335 0.09431
239 13F+1 0.20863 -0.05260 -0.31038 0.16692 0.23465
240 13F-1 -0.05260 0.26937 -0.17920 0.23465 -0.10403
241 13F+2 -0.04197 -0.23822 0.00956 -0.24323 0.27318
242 13F-2 -0.28668 -0.04197 0.01655 -0.00767 -0.24323
243 13F+3 -0.11943 0.20686 0.00000 0.13973 -0.24201
244 13F-3 -0.17774 -0.10262 -0.37894 0.13870 0.08008
245 14F 0 -0.17514 -0.10112 0.15795 -0.16812 -0.09707
246 14F+1 -0.15912 0.01744 0.22788 -0.15934 -0.20596
247 14F-1 0.01744 -0.17926 0.13157 -0.20596 0.07848
248 14F+2 0.03536 0.19891 -0.01878 0.21739 -0.21484
249 14F-2 0.23974 0.03536 -0.03253 0.03618 0.21739
250 14F+3 0.03717 -0.06439 0.00000 -0.11830 0.20491
251 14F-3 0.16980 0.09803 0.27578 -0.05653 -0.03264
252 15G 0 -0.00784 -0.00453 -0.11829 0.07635 0.04408
253 15G+1 -0.25373 -0.13747 0.19525 -0.23619 -0.09605
254 15G-1 -0.13747 -0.09499 0.11273 -0.09605 -0.12529
255 15G+2 -0.14225 0.11909 0.02621 0.03206 -0.22419
256 15G-2 -0.04516 -0.14225 0.04540 -0.18717 0.03206
257 15G+3 -0.02733 0.04734 0.00000 0.14099 -0.24421
258 15G-3 0.14664 0.08466 -0.02081 0.14100 0.08141
259 15G+4 -0.08529 -0.03409 -0.12307 -0.03835 0.16415
260 15G-4 0.13257 0.08529 0.21317 -0.11987 0.03835
221 222 223 224 225
(E)--V (E)--V (A2)--V (E)--V (E)--V
Eigenvalues -- 13.65489 13.65489 13.70891 13.86585 13.86585
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 6S 0.00000 0.00000 0.00000 0.00000 0.00000
7 7S 0.00000 0.00000 0.00000 0.00000 0.00000
8 8PX 0.36571 0.00000 0.00000 0.02934 0.00000
9 8PY 0.00000 0.36571 0.00000 0.00000 0.02934
10 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
11 9PX 0.63303 0.00000 0.00000 0.03865 0.00000
12 9PY 0.00000 0.63303 0.00000 0.00000 0.03865
13 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
14 10PX 0.89724 0.00000 0.00000 -0.05600 0.00000
15 10PY 0.00000 0.89724 0.00000 0.00000 -0.05600
16 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000
17 11PX -2.22980 0.00000 0.00000 0.36332 0.00000
18 11PY 0.00000 -2.22980 0.00000 0.00000 0.36332
19 11PZ 0.00000 0.00000 0.00000 0.00000 0.00000
20 12PX -2.23841 0.00000 0.00000 0.11836 0.00000
21 12PY 0.00000 -2.23841 0.00000 0.00000 0.11836
22 12PZ 0.00000 0.00000 0.00000 0.00000 0.00000
23 13PX 0.01849 0.00000 0.00000 0.01744 0.00000
24 13PY 0.00000 0.01849 0.00000 0.00000 0.01744
25 13PZ 0.00000 0.00000 0.00000 0.00000 0.00000
26 14D 0 0.00000 0.00000 0.00000 0.00000 0.00000
27 14D+1 0.34667 0.00000 0.00000 0.21586 0.00000
28 14D-1 0.00000 0.34667 0.00000 0.00000 0.21586
29 14D+2 0.00000 0.52740 0.00000 0.00000 -0.20823
30 14D-2 0.52740 0.00000 0.00000 -0.20823 0.00000
31 15D 0 0.00000 0.00000 0.00000 0.00000 0.00000
32 15D+1 0.83097 0.00000 0.00000 1.24649 0.00000
33 15D-1 0.00000 0.83097 0.00000 0.00000 1.24649
34 15D+2 0.00000 1.47072 0.00000 0.00000 -1.05964
35 15D-2 1.47072 0.00000 0.00000 -1.05964 0.00000
36 16D 0 0.00000 0.00000 0.00000 0.00000 0.00000
37 16D+1 0.10602 0.00000 0.00000 0.18694 0.00000
38 16D-1 0.00000 0.10602 0.00000 0.00000 0.18694
39 16D+2 0.00000 0.14992 0.00000 0.00000 -0.04400
40 16D-2 0.14992 0.00000 0.00000 -0.04400 0.00000
41 17D 0 0.00000 0.00000 0.00000 0.00000 0.00000
42 17D+1 -0.05736 0.00000 0.00000 -0.15685 0.00000
43 17D-1 0.00000 -0.05736 0.00000 0.00000 -0.15685
44 17D+2 0.00000 -0.09956 0.00000 0.00000 0.07817
45 17D-2 -0.09956 0.00000 0.00000 0.07817 0.00000
46 18F 0 0.00000 0.00000 0.00000 0.00000 0.00000
47 18F+1 0.14278 0.00000 0.00000 -0.10542 0.00000
48 18F-1 0.00000 0.14278 0.00000 0.00000 -0.10542
49 18F+2 0.00000 -0.08292 0.00000 0.00000 -0.10040
50 18F-2 -0.08292 0.00000 0.00000 -0.10040 0.00000
51 18F+3 0.00000 0.00000 -0.17580 0.00000 0.00000
52 18F-3 0.00000 0.00000 0.00000 0.00000 0.00000
53 19F 0 0.00000 0.00000 0.00000 0.00000 0.00000
54 19F+1 -0.02017 0.00000 0.00000 -0.59735 0.00000
55 19F-1 0.00000 -0.02017 0.00000 0.00000 -0.59735
56 19F+2 0.00000 -0.05254 0.00000 0.00000 -0.33063
57 19F-2 -0.05254 0.00000 0.00000 -0.33063 0.00000
58 19F+3 0.00000 0.00000 -0.08401 0.00000 0.00000
59 19F-3 0.00000 0.00000 0.00000 0.00000 0.00000
60 20F 0 0.00000 0.00000 0.00000 0.00000 0.00000
61 20F+1 0.02400 0.00000 0.00000 -0.37972 0.00000
62 20F-1 0.00000 0.02400 0.00000 0.00000 -0.37972
63 20F+2 0.00000 -0.22241 0.00000 0.00000 -0.23950
64 20F-2 -0.22241 0.00000 0.00000 -0.23950 0.00000
65 20F+3 0.00000 0.00000 0.15719 0.00000 0.00000
66 20F-3 0.00000 0.00000 0.00000 0.00000 0.00000
67 21G 0 0.00000 0.00000 0.00000 0.00000 0.00000
68 21G+1 0.00555 0.00000 0.00000 -0.10973 0.00000
69 21G-1 0.00000 0.00555 0.00000 0.00000 -0.10973
70 21G+2 0.00000 -0.12035 0.00000 0.00000 0.29733
71 21G-2 -0.12035 0.00000 0.00000 0.29733 0.00000
72 21G+3 0.00000 0.00000 0.53688 0.00000 0.00000
73 21G-3 0.00000 0.00000 0.00000 0.00000 0.00000
74 21G+4 0.00000 -0.39183 0.00000 0.00000 -0.10002
75 21G-4 0.39183 0.00000 0.00000 0.10002 0.00000
76 22G 0 0.00000 0.00000 0.00000 0.00000 0.00000
77 22G+1 -0.01806 0.00000 0.00000 -0.09298 0.00000
78 22G-1 0.00000 -0.01806 0.00000 0.00000 -0.09298
79 22G+2 0.00000 -0.04545 0.00000 0.00000 0.40684
80 22G-2 -0.04545 0.00000 0.00000 0.40684 0.00000
81 22G+3 0.00000 0.00000 0.13133 0.00000 0.00000
82 22G-3 0.00000 0.00000 0.00000 0.00000 0.00000
83 22G+4 0.00000 -0.18940 0.00000 0.00000 0.05078
84 22G-4 0.18940 0.00000 0.00000 -0.05078 0.00000
85 23H 0 0.00000 0.00000 0.00000 0.00000 0.00000
86 23H+1 0.05755 0.00000 0.00000 0.19046 0.00000
87 23H-1 0.00000 0.05755 0.00000 0.00000 0.19046
88 23H+2 0.00000 -0.08360 0.00000 0.00000 -0.03968
89 23H-2 -0.08360 0.00000 0.00000 -0.03968 0.00000
90 23H+3 0.00000 0.00000 -0.44558 0.00000 0.00000
91 23H-3 0.00000 0.00000 0.00000 0.00000 0.00000
92 23H+4 0.00000 0.28759 0.00000 0.00000 0.15077
93 23H-4 -0.28759 0.00000 0.00000 -0.15077 0.00000
94 23H+5 0.46339 0.00000 0.00000 -0.14732 0.00000
95 23H-5 0.00000 -0.46339 0.00000 0.00000 0.14732
96 2 H 1S 0.00000 -0.12974 0.00000 0.00000 -0.07893
97 2S 0.00000 0.07120 0.00000 0.00000 0.16693
98 3S 0.00000 1.08123 0.00000 0.00000 -0.18385
99 4S 0.00000 2.61796 0.00000 0.00000 -0.24142
100 5S 0.00000 -0.04833 0.00000 0.00000 -0.03001
101 6PX 0.00142 0.00000 0.00076 -0.02969 0.00000
102 6PY 0.00000 -0.00747 0.00000 0.00000 0.03422
103 6PZ 0.00000 0.00950 0.00000 0.00000 0.14305
104 7PX -0.01014 0.00000 0.02196 -0.03198 0.00000
105 7PY 0.00000 0.06658 0.00000 0.00000 0.02352
106 7PZ 0.00000 -0.03360 0.00000 0.00000 0.11157
107 8PX 0.02633 0.00000 -0.12928 0.23544 0.00000
108 8PY 0.00000 -0.75023 0.00000 0.00000 -0.12350
109 8PZ 0.00000 0.30484 0.00000 0.00000 -0.66253
110 9PX 0.08933 0.00000 -0.17805 0.29769 0.00000
111 9PY 0.00000 -1.10560 0.00000 0.00000 -0.12061
112 9PZ 0.00000 0.45277 0.00000 0.00000 -0.96040
113 10D 0 0.00000 0.14866 0.00000 0.00000 -0.19046
114 10D+1 -0.12247 0.00000 0.30415 0.27803 0.00000
115 10D-1 0.00000 -0.05567 0.00000 0.00000 -0.01086
116 10D+2 0.00000 -0.06510 0.00000 0.00000 0.12498
117 10D-2 -0.14514 0.00000 0.26667 0.09873 0.00000
118 11D 0 0.00000 -0.17773 0.00000 0.00000 0.22544
119 11D+1 0.11708 0.00000 -0.30121 -0.26250 0.00000
120 11D-1 0.00000 -0.01135 0.00000 0.00000 -0.07481
121 11D+2 0.00000 0.02531 0.00000 0.00000 -0.07602
122 11D-2 0.12926 0.00000 -0.23188 -0.09284 0.00000
123 12D 0 0.00000 0.14408 0.00000 0.00000 -0.63134
124 12D+1 -0.21143 0.00000 0.39431 0.25384 0.00000
125 12D-1 0.00000 -0.19516 0.00000 0.00000 0.97944
126 12D+2 0.00000 -0.63525 0.00000 0.00000 -0.25812
127 12D-2 -0.08447 0.00000 0.24406 -0.23941 0.00000
128 13F 0 0.00000 -0.31588 0.00000 0.00000 -0.20208
129 13F+1 0.13253 0.00000 -0.20334 -0.01499 0.00000
130 13F-1 0.00000 0.14060 0.00000 0.00000 -0.51563
131 13F+2 0.00000 0.06728 0.00000 0.00000 -0.35678
132 13F-2 -0.25853 0.00000 0.40233 0.10901 0.00000
133 13F+3 -0.00426 0.00000 -0.08668 0.04395 0.00000
134 13F-3 0.00000 -0.46665 0.00000 0.00000 -0.20364
135 14F 0 0.00000 0.25172 0.00000 0.00000 0.25083
136 14F+1 -0.15352 0.00000 0.20038 0.00467 0.00000
137 14F-1 0.00000 -0.13480 0.00000 0.00000 0.61614
138 14F+2 0.00000 -0.12009 0.00000 0.00000 0.44348
139 14F-2 0.25510 0.00000 -0.40458 -0.13088 0.00000
140 14F+3 -0.01014 0.00000 0.11488 -0.09202 0.00000
141 14F-3 0.00000 0.53447 0.00000 0.00000 0.23499
142 15G 0 0.00000 -0.00052 0.00000 0.00000 0.32344
143 15G+1 -0.08228 0.00000 -0.09574 -0.02891 0.00000
144 15G-1 0.00000 -0.23560 0.00000 0.00000 -0.10099
145 15G+2 0.00000 -0.06049 0.00000 0.00000 0.42697
146 15G-2 0.25885 0.00000 -0.21976 -0.01288 0.00000
147 15G+3 0.17690 0.00000 -0.30804 -0.10063 0.00000
148 15G-3 0.00000 0.20646 0.00000 0.00000 -0.23557
149 15G+4 0.00000 0.47679 0.00000 0.00000 0.16854
150 15G-4 -0.02229 0.00000 -0.14256 0.01437 0.00000
151 3 H 1S -0.11236 0.06487 0.00000 -0.06835 0.03946
152 2S 0.06166 -0.03560 0.00000 0.14456 -0.08346
153 3S 0.93637 -0.54062 0.00000 -0.15922 0.09193
154 4S 2.26722 -1.30898 0.00000 -0.20908 0.12071
155 5S -0.04186 0.02417 0.00000 -0.02599 0.01501
156 6PX -0.00525 0.00385 -0.00038 0.01825 -0.02767
157 6PY 0.00385 -0.00080 -0.00066 -0.02767 -0.01371
158 6PZ 0.00823 -0.00475 0.00000 0.12388 -0.07152
159 7PX 0.04740 -0.03322 -0.01098 0.00964 -0.02403
160 7PY -0.03322 0.00904 -0.01901 -0.02403 -0.01811
161 7PZ -0.02910 0.01680 0.00000 0.09662 -0.05579
162 8PX -0.55609 0.33626 0.06464 -0.03377 0.15543
163 8PY 0.33626 -0.16781 0.11196 0.15543 0.14570
164 8PZ 0.26400 -0.15242 0.00000 -0.57377 0.33127
165 9PX -0.80687 0.51742 0.08903 -0.01603 0.18113
166 9PY 0.51742 -0.20940 0.15420 0.18113 0.19312
167 9PZ 0.39211 -0.22639 0.00000 -0.83173 0.48020
168 10D 0 0.12874 -0.07433 0.00000 -0.16494 0.09523
169 10D+1 -0.07237 -0.02893 -0.15208 0.06136 0.12509
170 10D-1 -0.02893 -0.10577 -0.26340 0.12509 0.20581
171 10D+2 -0.03466 -0.12513 -0.23094 -0.01137 0.10529
172 10D-2 -0.08511 -0.03466 -0.13333 0.11841 -0.01137
173 11D 0 -0.15392 0.08887 0.00000 0.19523 -0.11272
174 11D+1 0.02075 0.05561 0.15060 -0.12173 -0.08127
175 11D-1 0.05561 0.08497 0.26085 -0.08127 -0.21558
176 11D+2 0.04501 0.10327 0.20081 -0.00728 -0.08863
177 11D-2 0.05130 0.04501 0.11594 -0.08023 -0.00728
178 12D 0 0.12478 -0.07204 0.00000 -0.54675 0.31567
179 12D+1 -0.19923 -0.00705 -0.19715 0.79804 -0.31419
180 12D-1 -0.00705 -0.20736 -0.34148 -0.31419 0.43524
181 12D+2 0.23849 -0.22217 -0.21136 0.00810 -0.24409
182 12D-2 -0.49755 0.23849 -0.12203 -0.25344 0.00810
183 13F 0 -0.27356 0.15794 0.00000 -0.17501 0.10104
184 13F+1 0.13858 -0.00349 0.10167 -0.39047 0.21678
185 13F-1 -0.00349 0.13455 0.17610 0.21678 -0.14015
186 13F+2 -0.14108 -0.17708 -0.34843 0.20169 -0.00744
187 13F-2 -0.01417 -0.14108 -0.20116 -0.24033 0.20169
188 13F+3 0.00213 0.00369 -0.08668 -0.02198 -0.03807
189 13F-3 -0.40413 0.23332 0.00000 -0.17635 0.10182
190 14F 0 0.21800 -0.12586 0.00000 0.21723 -0.12542
191 14F+1 -0.13948 -0.00811 -0.10019 0.46327 -0.26477
192 14F-1 -0.00811 -0.14884 -0.17353 -0.26477 0.15754
193 14F+2 0.16246 0.16130 0.35037 -0.24870 0.01271
194 14F-2 -0.02629 0.16246 0.20229 0.29989 -0.24870
195 14F+3 0.00507 0.00878 0.11488 0.04601 0.07969
196 14F-3 0.46287 -0.26724 0.00000 0.20351 -0.11750
197 15G 0 -0.00045 0.00026 0.00000 0.28011 -0.16172
198 15G+1 -0.19727 0.06639 0.04787 -0.08297 0.03121
199 15G-1 0.06639 -0.12061 0.08291 0.03121 -0.04693
200 15G+2 0.13828 0.17901 0.19032 -0.19046 0.09708
201 15G-2 0.01935 0.13828 0.10988 0.31701 -0.19046
202 15G+3 -0.08845 -0.15320 -0.30804 0.05032 0.08715
203 15G-3 0.17880 -0.10323 0.00000 -0.20401 0.11779
204 15G+4 -0.19680 0.13592 -0.12346 -0.07920 0.03135
205 15G-4 -0.36317 0.19680 0.07128 -0.12281 0.07920
206 4 H 1S 0.11236 0.06487 0.00000 0.06835 0.03946
207 2S -0.06166 -0.03560 0.00000 -0.14456 -0.08346
208 3S -0.93637 -0.54062 0.00000 0.15922 0.09193
209 4S -2.26722 -1.30898 0.00000 0.20908 0.12071
210 5S 0.04186 0.02417 0.00000 0.02599 0.01501
211 6PX -0.00525 -0.00385 -0.00038 0.01825 0.02767
212 6PY -0.00385 -0.00080 0.00066 0.02767 -0.01371
213 6PZ -0.00823 -0.00475 0.00000 -0.12388 -0.07152
214 7PX 0.04740 0.03322 -0.01098 0.00964 0.02403
215 7PY 0.03322 0.00904 0.01901 0.02403 -0.01811
216 7PZ 0.02910 0.01680 0.00000 -0.09662 -0.05579
217 8PX -0.55609 -0.33626 0.06464 -0.03377 -0.15543
218 8PY -0.33626 -0.16781 -0.11196 -0.15543 0.14570
219 8PZ -0.26400 -0.15242 0.00000 0.57377 0.33127
220 9PX -0.80687 -0.51742 0.08903 -0.01603 -0.18113
221 9PY -0.51742 -0.20940 -0.15420 -0.18113 0.19312
222 9PZ -0.39211 -0.22639 0.00000 0.83173 0.48020
223 10D 0 -0.12874 -0.07433 0.00000 0.16494 0.09523
224 10D+1 -0.07237 0.02893 -0.15208 0.06136 -0.12509
225 10D-1 0.02893 -0.10577 0.26340 -0.12509 0.20581
226 10D+2 0.03466 -0.12513 0.23094 0.01137 0.10529
227 10D-2 -0.08511 0.03466 -0.13333 0.11841 0.01137
228 11D 0 0.15392 0.08887 0.00000 -0.19523 -0.11272
229 11D+1 0.02075 -0.05561 0.15060 -0.12173 0.08127
230 11D-1 -0.05561 0.08497 -0.26085 0.08127 -0.21558
231 11D+2 -0.04501 0.10327 -0.20081 0.00728 -0.08863
232 11D-2 0.05130 -0.04501 0.11594 -0.08023 0.00728
233 12D 0 -0.12478 -0.07204 0.00000 0.54675 0.31567
234 12D+1 -0.19923 0.00705 -0.19715 0.79804 0.31419
235 12D-1 0.00705 -0.20736 0.34148 0.31419 0.43524
236 12D+2 -0.23849 -0.22217 0.21136 -0.00810 -0.24409
237 12D-2 -0.49755 -0.23849 -0.12203 -0.25344 -0.00810
238 13F 0 0.27356 0.15794 0.00000 0.17501 0.10104
239 13F+1 0.13858 0.00349 0.10167 -0.39047 -0.21678
240 13F-1 0.00349 0.13455 -0.17610 -0.21678 -0.14015
241 13F+2 0.14108 -0.17708 0.34843 -0.20169 -0.00744
242 13F-2 -0.01417 0.14108 -0.20116 -0.24033 -0.20169
243 13F+3 0.00213 -0.00369 -0.08668 -0.02198 0.03807
244 13F-3 0.40413 0.23332 0.00000 0.17635 0.10182
245 14F 0 -0.21800 -0.12586 0.00000 -0.21723 -0.12542
246 14F+1 -0.13948 0.00811 -0.10019 0.46327 0.26477
247 14F-1 0.00811 -0.14884 0.17353 0.26477 0.15754
248 14F+2 -0.16246 0.16130 -0.35037 0.24870 0.01271
249 14F-2 -0.02629 -0.16246 0.20229 0.29989 0.24870
250 14F+3 0.00507 -0.00878 0.11488 0.04601 -0.07969
251 14F-3 -0.46287 -0.26724 0.00000 -0.20351 -0.11750
252 15G 0 0.00045 0.00026 0.00000 -0.28011 -0.16172
253 15G+1 -0.19727 -0.06639 0.04787 -0.08297 -0.03121
254 15G-1 -0.06639 -0.12061 -0.08291 -0.03121 -0.04693
255 15G+2 -0.13828 0.17901 -0.19032 0.19046 0.09708
256 15G-2 0.01935 -0.13828 0.10988 0.31701 0.19046
257 15G+3 -0.08845 0.15320 -0.30804 0.05032 -0.08715
258 15G-3 -0.17880 -0.10323 0.00000 0.20401 0.11779
259 15G+4 0.19680 0.13592 0.12346 0.07920 0.03135
260 15G-4 -0.36317 -0.19680 0.07128 -0.12281 -0.07920
226 227 228 229 230
(A2)--V (A1)--V (E)--V (E)--V (A1)--V
Eigenvalues -- 13.86827 13.86839 13.89838 13.89838 13.95364
1 1 Si 1S 0.00000 0.01390 0.00000 0.00000 0.00655
2 2S 0.00000 0.15869 0.00000 0.00000 0.10048
3 3S 0.00000 -0.19577 0.00000 0.00000 -0.20579
4 4S 0.00000 -1.37734 0.00000 0.00000 -1.36541
5 5S 0.00000 -1.36017 0.00000 0.00000 0.42679
6 6S 0.00000 12.78266 0.00000 0.00000 7.87885
7 7S 0.00000 0.67081 0.00000 0.00000 0.55216
8 8PX 0.00000 0.00000 0.10212 0.00000 0.00000
9 8PY 0.00000 0.00000 0.00000 0.10212 0.00000
10 8PZ 0.00000 1.65443 0.00000 0.00000 1.11914
11 9PX 0.00000 0.00000 0.14791 0.00000 0.00000
12 9PY 0.00000 0.00000 0.00000 0.14791 0.00000
13 9PZ 0.00000 2.82335 0.00000 0.00000 1.98205
14 10PX 0.00000 0.00000 -0.04732 0.00000 0.00000
15 10PY 0.00000 0.00000 0.00000 -0.04732 0.00000
16 10PZ 0.00000 2.68112 0.00000 0.00000 2.48432
17 11PX 0.00000 0.00000 0.39767 0.00000 0.00000
18 11PY 0.00000 0.00000 0.00000 0.39767 0.00000
19 11PZ 0.00000 -2.49359 0.00000 0.00000 -3.88986
20 12PX 0.00000 0.00000 -0.38176 0.00000 0.00000
21 12PY 0.00000 0.00000 0.00000 -0.38176 0.00000
22 12PZ 0.00000 -2.38312 0.00000 0.00000 -2.22150
23 13PX 0.00000 0.00000 -0.02171 0.00000 0.00000
24 13PY 0.00000 0.00000 0.00000 -0.02171 0.00000
25 13PZ 0.00000 -0.01617 0.00000 0.00000 -0.02968
26 14D 0 0.00000 -1.01531 0.00000 0.00000 -0.34716
27 14D+1 0.00000 0.00000 0.03978 0.00000 0.00000
28 14D-1 0.00000 0.00000 0.00000 0.03978 0.00000
29 14D+2 0.00000 0.00000 0.00000 0.46631 0.00000
30 14D-2 0.00000 0.00000 0.46631 0.00000 0.00000
31 15D 0 0.00000 -1.81199 0.00000 0.00000 0.23376
32 15D+1 0.00000 0.00000 -0.20692 0.00000 0.00000
33 15D-1 0.00000 0.00000 0.00000 -0.20692 0.00000
34 15D+2 0.00000 0.00000 0.00000 1.74078 0.00000
35 15D-2 0.00000 0.00000 1.74078 0.00000 0.00000
36 16D 0 0.00000 0.07311 0.00000 0.00000 0.04909
37 16D+1 0.00000 0.00000 -0.05319 0.00000 0.00000
38 16D-1 0.00000 0.00000 0.00000 -0.05319 0.00000
39 16D+2 0.00000 0.00000 0.00000 0.02430 0.00000
40 16D-2 0.00000 0.00000 0.02430 0.00000 0.00000
41 17D 0 0.00000 0.01607 0.00000 0.00000 -0.08515
42 17D+1 0.00000 0.00000 0.04305 0.00000 0.00000
43 17D-1 0.00000 0.00000 0.00000 0.04305 0.00000
44 17D+2 0.00000 0.00000 0.00000 -0.09244 0.00000
45 17D-2 0.00000 0.00000 -0.09244 0.00000 0.00000
46 18F 0 0.00000 0.50544 0.00000 0.00000 0.32438
47 18F+1 0.00000 0.00000 0.11442 0.00000 0.00000
48 18F-1 0.00000 0.00000 0.00000 0.11442 0.00000
49 18F+2 0.00000 0.00000 0.00000 -0.10736 0.00000
50 18F-2 0.00000 0.00000 -0.10736 0.00000 0.00000
51 18F+3 -0.07530 0.00000 0.00000 0.00000 0.00000
52 18F-3 0.00000 -0.81522 0.00000 0.00000 -0.42472
53 19F 0 0.00000 0.87602 0.00000 0.00000 0.93311
54 19F+1 0.00000 0.00000 0.07836 0.00000 0.00000
55 19F-1 0.00000 0.00000 0.00000 0.07836 0.00000
56 19F+2 0.00000 0.00000 0.00000 -0.33645 0.00000
57 19F-2 0.00000 0.00000 -0.33645 0.00000 0.00000
58 19F+3 0.55694 0.00000 0.00000 0.00000 0.00000
59 19F-3 0.00000 -1.26964 0.00000 0.00000 -0.43614
60 20F 0 0.00000 -0.03119 0.00000 0.00000 0.31426
61 20F+1 0.00000 0.00000 -0.04507 0.00000 0.00000
62 20F-1 0.00000 0.00000 0.00000 -0.04507 0.00000
63 20F+2 0.00000 0.00000 0.00000 -0.17508 0.00000
64 20F-2 0.00000 0.00000 -0.17508 0.00000 0.00000
65 20F+3 0.61160 0.00000 0.00000 0.00000 0.00000
66 20F-3 0.00000 -0.22745 0.00000 0.00000 -0.07882
67 21G 0 0.00000 -0.11257 0.00000 0.00000 -0.42087
68 21G+1 0.00000 0.00000 -0.10888 0.00000 0.00000
69 21G-1 0.00000 0.00000 0.00000 -0.10888 0.00000
70 21G+2 0.00000 0.00000 0.00000 -0.24320 0.00000
71 21G-2 0.00000 0.00000 -0.24320 0.00000 0.00000
72 21G+3 0.04776 0.00000 0.00000 0.00000 0.00000
73 21G-3 0.00000 0.64543 0.00000 0.00000 0.58457
74 21G+4 0.00000 0.00000 0.00000 0.33097 0.00000
75 21G-4 0.00000 0.00000 -0.33097 0.00000 0.00000
76 22G 0 0.00000 0.08522 0.00000 0.00000 -0.42694
77 22G+1 0.00000 0.00000 0.08725 0.00000 0.00000
78 22G-1 0.00000 0.00000 0.00000 0.08725 0.00000
79 22G+2 0.00000 0.00000 0.00000 -0.07468 0.00000
80 22G-2 0.00000 0.00000 -0.07468 0.00000 0.00000
81 22G+3 -0.31757 0.00000 0.00000 0.00000 0.00000
82 22G-3 0.00000 0.05482 0.00000 0.00000 0.43650
83 22G+4 0.00000 0.00000 0.00000 0.29983 0.00000
84 22G-4 0.00000 0.00000 -0.29983 0.00000 0.00000
85 23H 0 0.00000 -0.03332 0.00000 0.00000 0.04704
86 23H+1 0.00000 0.00000 -0.02023 0.00000 0.00000
87 23H-1 0.00000 0.00000 0.00000 -0.02023 0.00000
88 23H+2 0.00000 0.00000 0.00000 0.09386 0.00000
89 23H-2 0.00000 0.00000 0.09386 0.00000 0.00000
90 23H+3 -0.12668 0.00000 0.00000 0.00000 0.00000
91 23H-3 0.00000 -0.11848 0.00000 0.00000 -0.38283
92 23H+4 0.00000 0.00000 0.00000 -0.12668 0.00000
93 23H-4 0.00000 0.00000 0.12668 0.00000 0.00000
94 23H+5 0.00000 0.00000 0.24233 0.00000 0.00000
95 23H-5 0.00000 0.00000 0.00000 -0.24233 0.00000
96 2 H 1S 0.00000 -0.47692 0.00000 0.11702 -0.32894
97 2S 0.00000 1.10441 0.00000 -0.24673 0.80883
98 3S 0.00000 -2.65872 0.00000 0.59631 -1.79004
99 4S 0.00000 -3.74295 0.00000 0.71752 -2.49437
100 5S 0.00000 -0.08076 0.00000 0.04846 -0.09232
101 6PX -0.06720 0.00000 0.10505 0.00000 0.00000
102 6PY 0.00000 -0.04945 0.00000 0.02039 -0.07526
103 6PZ 0.00000 0.02355 0.00000 -0.01874 -0.09276
104 7PX -0.05161 0.00000 0.09337 0.00000 0.00000
105 7PY 0.00000 -0.11003 0.00000 0.01276 -0.12634
106 7PZ 0.00000 0.01843 0.00000 -0.01701 -0.06293
107 8PX 0.25062 0.00000 -0.58419 0.00000 0.00000
108 8PY 0.00000 0.89954 0.00000 -0.17242 0.86520
109 8PZ 0.00000 -0.14643 0.00000 0.16257 0.38293
110 9PX 0.28674 0.00000 -0.81932 0.00000 0.00000
111 9PY 0.00000 1.67309 0.00000 -0.25633 1.49361
112 9PZ 0.00000 -0.55478 0.00000 0.25910 0.36840
113 10D 0 0.00000 0.12597 0.00000 -0.71812 -0.18573
114 10D+1 -0.35729 0.00000 -0.24730 0.00000 0.00000
115 10D-1 0.00000 0.14448 0.00000 -0.20699 -0.16338
116 10D+2 0.00000 -0.22004 0.00000 0.50798 0.24541
117 10D-2 -0.23324 0.00000 0.14225 0.00000 0.00000
118 11D 0 0.00000 -0.07240 0.00000 0.67822 0.17109
119 11D+1 0.29525 0.00000 0.25934 0.00000 0.00000
120 11D-1 0.00000 -0.15665 0.00000 0.19606 0.20564
121 11D+2 0.00000 0.24303 0.00000 -0.46843 -0.22297
122 11D-2 0.27444 0.00000 -0.18253 0.00000 0.00000
123 12D 0 0.00000 0.15923 0.00000 -0.33883 0.50215
124 12D+1 0.10362 0.00000 -0.49047 0.00000 0.00000
125 12D-1 0.00000 0.31187 0.00000 -0.25878 -0.63522
126 12D+2 0.00000 0.25486 0.00000 0.20940 0.77412
127 12D-2 -0.58819 0.00000 0.92615 0.00000 0.00000
128 13F 0 0.00000 -0.09171 0.00000 0.08683 0.14680
129 13F+1 0.03703 0.00000 0.03981 0.00000 0.00000
130 13F-1 0.00000 -0.19055 0.00000 -0.09787 0.23167
131 13F+2 0.00000 -0.13015 0.00000 0.03626 0.19550
132 13F-2 0.25739 0.00000 -0.31896 0.00000 0.00000
133 13F+3 0.37555 0.00000 -0.39743 0.00000 0.00000
134 13F-3 0.00000 -0.06927 0.00000 0.07708 0.21130
135 14F 0 0.00000 0.09342 0.00000 -0.07637 -0.17230
136 14F+1 -0.04169 0.00000 -0.01571 0.00000 0.00000
137 14F-1 0.00000 0.14382 0.00000 0.06632 -0.38132
138 14F+2 0.00000 0.12459 0.00000 -0.04652 -0.25816
139 14F-2 -0.29504 0.00000 0.38431 0.00000 0.00000
140 14F+3 -0.42128 0.00000 0.51142 0.00000 0.00000
141 14F-3 0.00000 0.01587 0.00000 -0.07217 -0.31089
142 15G 0 0.00000 0.13840 0.00000 0.02757 -0.14081
143 15G+1 -0.09837 0.00000 0.06655 0.00000 0.00000
144 15G-1 0.00000 -0.01653 0.00000 0.01076 0.08234
145 15G+2 0.00000 0.14971 0.00000 0.00957 -0.22128
146 15G-2 0.03650 0.00000 0.02585 0.00000 0.00000
147 15G+3 -0.25848 0.00000 0.27528 0.00000 0.00000
148 15G-3 0.00000 -0.02279 0.00000 0.02146 0.13739
149 15G+4 0.00000 0.06333 0.00000 -0.03152 -0.15985
150 15G-4 0.30658 0.00000 -0.31434 0.00000 0.00000
151 3 H 1S 0.00000 -0.47692 0.10134 -0.05851 -0.32894
152 2S 0.00000 1.10441 -0.21367 0.12336 0.80883
153 3S 0.00000 -2.65872 0.51642 -0.29815 -1.79004
154 4S 0.00000 -3.74295 0.62139 -0.35876 -2.49437
155 5S 0.00000 -0.08076 0.04197 -0.02423 -0.09232
156 6PX 0.03360 -0.04283 0.04155 0.03666 -0.06518
157 6PY 0.05820 0.02473 0.03666 0.08388 0.03763
158 6PZ 0.00000 0.02355 -0.01623 0.00937 -0.09276
159 7PX 0.02580 -0.09529 0.03291 0.03490 -0.10941
160 7PY 0.04469 0.05501 0.03490 0.07322 0.06317
161 7PZ 0.00000 0.01843 -0.01473 0.00850 -0.06293
162 8PX -0.12531 0.77902 -0.27537 -0.17830 0.74928
163 8PY -0.21704 -0.44977 -0.17830 -0.48125 -0.43260
164 8PZ 0.00000 -0.14643 0.14079 -0.08128 0.38293
165 9PX -0.14337 1.44894 -0.39707 -0.24378 1.29350
166 9PY -0.24832 -0.83655 -0.24378 -0.67857 -0.74680
167 9PZ 0.00000 -0.55478 0.22438 -0.12955 0.36840
168 10D 0 0.00000 0.12597 -0.62191 0.35906 -0.18573
169 10D+1 0.17864 0.12513 -0.21707 -0.01746 -0.14149
170 10D-1 0.30942 -0.07224 -0.01746 -0.23722 0.08169
171 10D+2 0.20199 0.11002 -0.15837 0.23368 -0.12270
172 10D-2 0.11662 -0.19056 0.41655 -0.15837 0.21253
173 11D 0 0.00000 -0.07240 0.58736 -0.33911 0.17109
174 11D+1 -0.14763 -0.13566 0.21188 0.02740 0.17809
175 11D-1 -0.25570 0.07832 0.02740 0.24352 -0.10282
176 11D+2 -0.23767 -0.12151 0.12380 -0.25401 0.11149
177 11D-2 -0.13722 0.21047 -0.39696 0.12380 -0.19310
178 12D 0 0.00000 0.15923 -0.29344 0.16942 0.50215
179 12D+1 -0.05181 0.27009 -0.31670 -0.10032 -0.55011
180 12D-1 -0.08973 -0.15594 -0.10032 -0.43255 0.31761
181 12D+2 0.50939 -0.12743 0.31036 0.74696 -0.38706
182 12D-2 0.29409 0.22072 0.38859 0.31036 0.67040
183 13F 0 0.00000 -0.09171 0.07519 -0.04341 0.14680
184 13F+1 -0.01851 -0.16502 -0.06345 0.05961 0.20063
185 13F-1 -0.03206 0.09528 0.05961 0.00539 -0.11583
186 13F+2 -0.22291 0.06507 -0.15382 -0.23015 -0.09775
187 13F-2 -0.12870 -0.11271 -0.05254 -0.15382 0.16931
188 13F+3 0.37555 0.00000 0.19872 0.34419 0.00000
189 13F-3 0.00000 -0.06927 0.06676 -0.03854 0.21130
190 14F 0 0.00000 0.09342 -0.06614 0.03818 -0.17230
191 14F+1 0.02085 0.12455 0.04581 -0.03552 -0.33023
192 14F-1 0.03611 -0.07191 -0.03552 0.00480 0.19066
193 14F+2 0.25551 -0.06229 0.18655 0.27660 0.12908
194 14F-2 0.14752 0.10790 0.06119 0.18655 -0.22357
195 14F+3 -0.42128 0.00000 -0.25571 -0.44290 0.00000
196 14F-3 0.00000 0.01587 -0.06250 0.03609 -0.31089
197 15G 0 0.00000 0.13840 0.02388 -0.01379 -0.14081
198 15G+1 0.04919 -0.01432 0.02471 0.02416 0.07131
199 15G-1 0.08519 0.00827 0.02416 0.05260 -0.04117
200 15G+2 -0.03161 -0.07486 0.00705 0.02178 0.11064
201 15G-2 -0.01825 0.12966 0.01364 0.00705 -0.19163
202 15G+3 -0.25848 0.00000 -0.13764 -0.23840 0.00000
203 15G-3 0.00000 -0.02279 0.01859 -0.01073 0.13739
204 15G+4 0.26551 -0.03166 0.14976 0.22787 0.07993
205 15G-4 -0.15329 -0.05484 -0.05494 -0.14976 0.13844
206 4 H 1S 0.00000 -0.47692 -0.10134 -0.05851 -0.32894
207 2S 0.00000 1.10441 0.21367 0.12336 0.80883
208 3S 0.00000 -2.65872 -0.51642 -0.29815 -1.79004
209 4S 0.00000 -3.74295 -0.62139 -0.35876 -2.49437
210 5S 0.00000 -0.08076 -0.04197 -0.02423 -0.09232
211 6PX 0.03360 0.04283 0.04155 -0.03666 0.06518
212 6PY -0.05820 0.02473 -0.03666 0.08388 0.03763
213 6PZ 0.00000 0.02355 0.01623 0.00937 -0.09276
214 7PX 0.02580 0.09529 0.03291 -0.03490 0.10941
215 7PY -0.04469 0.05501 -0.03490 0.07322 0.06317
216 7PZ 0.00000 0.01843 0.01473 0.00850 -0.06293
217 8PX -0.12531 -0.77902 -0.27537 0.17830 -0.74928
218 8PY 0.21704 -0.44977 0.17830 -0.48125 -0.43260
219 8PZ 0.00000 -0.14643 -0.14079 -0.08128 0.38293
220 9PX -0.14337 -1.44894 -0.39707 0.24378 -1.29350
221 9PY 0.24832 -0.83655 0.24378 -0.67857 -0.74680
222 9PZ 0.00000 -0.55478 -0.22438 -0.12955 0.36840
223 10D 0 0.00000 0.12597 0.62191 0.35906 -0.18573
224 10D+1 0.17864 -0.12513 -0.21707 0.01746 0.14149
225 10D-1 -0.30942 -0.07224 0.01746 -0.23722 0.08169
226 10D+2 -0.20199 0.11002 0.15837 0.23368 -0.12270
227 10D-2 0.11662 0.19056 0.41655 0.15837 -0.21253
228 11D 0 0.00000 -0.07240 -0.58736 -0.33911 0.17109
229 11D+1 -0.14763 0.13566 0.21188 -0.02740 -0.17809
230 11D-1 0.25570 0.07832 -0.02740 0.24352 -0.10282
231 11D+2 0.23767 -0.12151 -0.12380 -0.25401 0.11149
232 11D-2 -0.13722 -0.21047 -0.39696 -0.12380 0.19310
233 12D 0 0.00000 0.15923 0.29344 0.16942 0.50215
234 12D+1 -0.05181 -0.27009 -0.31670 0.10032 0.55011
235 12D-1 0.08973 -0.15594 0.10032 -0.43255 0.31761
236 12D+2 -0.50939 -0.12743 -0.31036 0.74696 -0.38706
237 12D-2 0.29409 -0.22072 0.38859 -0.31036 -0.67040
238 13F 0 0.00000 -0.09171 -0.07519 -0.04341 0.14680
239 13F+1 -0.01851 0.16502 -0.06345 -0.05961 -0.20063
240 13F-1 0.03206 0.09528 -0.05961 0.00539 -0.11583
241 13F+2 0.22291 0.06507 0.15382 -0.23015 -0.09775
242 13F-2 -0.12870 0.11271 -0.05254 0.15382 -0.16931
243 13F+3 0.37555 0.00000 0.19872 -0.34419 0.00000
244 13F-3 0.00000 -0.06927 -0.06676 -0.03854 0.21130
245 14F 0 0.00000 0.09342 0.06614 0.03818 -0.17230
246 14F+1 0.02085 -0.12455 0.04581 0.03552 0.33023
247 14F-1 -0.03611 -0.07191 0.03552 0.00480 0.19066
248 14F+2 -0.25551 -0.06229 -0.18655 0.27660 0.12908
249 14F-2 0.14752 -0.10790 0.06119 -0.18655 0.22357
250 14F+3 -0.42128 0.00000 -0.25571 0.44290 0.00000
251 14F-3 0.00000 0.01587 0.06250 0.03609 -0.31089
252 15G 0 0.00000 0.13840 -0.02388 -0.01379 -0.14081
253 15G+1 0.04919 0.01432 0.02471 -0.02416 -0.07131
254 15G-1 -0.08519 0.00827 -0.02416 0.05260 -0.04117
255 15G+2 0.03161 -0.07486 -0.00705 0.02178 0.11064
256 15G-2 -0.01825 -0.12966 0.01364 -0.00705 0.19163
257 15G+3 -0.25848 0.00000 -0.13764 0.23840 0.00000
258 15G-3 0.00000 -0.02279 -0.01859 -0.01073 0.13739
259 15G+4 -0.26551 -0.03166 -0.14976 0.22787 0.07993
260 15G-4 -0.15329 0.05484 -0.05494 0.14976 -0.13844
231 232 233 234 235
(E)--V (E)--V (A2)--V (E)--V (E)--V
Eigenvalues -- 13.97764 13.97764 14.02233 14.03601 14.03601
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 6S 0.00000 0.00000 0.00000 0.00000 0.00000
7 7S 0.00000 0.00000 0.00000 0.00000 0.00000
8 8PX -0.23347 0.00000 0.00000 0.00000 -0.58789
9 8PY 0.00000 -0.23347 0.00000 0.58789 0.00000
10 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
11 9PX -0.44592 0.00000 0.00000 0.00000 -1.04346
12 9PY 0.00000 -0.44592 0.00000 1.04346 0.00000
13 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
14 10PX -1.05588 0.00000 0.00000 0.00000 -1.78997
15 10PY 0.00000 -1.05588 0.00000 1.78997 0.00000
16 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000
17 11PX 3.57489 0.00000 0.00000 0.00000 5.93434
18 11PY 0.00000 3.57489 0.00000 -5.93434 0.00000
19 11PZ 0.00000 0.00000 0.00000 0.00000 0.00000
20 12PX 2.60656 0.00000 0.00000 0.00000 5.56063
21 12PY 0.00000 2.60656 0.00000 -5.56063 0.00000
22 12PZ 0.00000 0.00000 0.00000 0.00000 0.00000
23 13PX 0.04379 0.00000 0.00000 0.00000 0.28616
24 13PY 0.00000 0.04379 0.00000 -0.28616 0.00000
25 13PZ 0.00000 0.00000 0.00000 0.00000 0.00000
26 14D 0 0.00000 0.00000 0.00000 0.00000 0.00000
27 14D+1 -0.32191 0.00000 0.00000 0.00000 -1.10131
28 14D-1 0.00000 -0.32191 0.00000 1.10131 0.00000
29 14D+2 0.00000 -0.38518 0.00000 1.65577 0.00000
30 14D-2 -0.38518 0.00000 0.00000 0.00000 -1.65577
31 15D 0 0.00000 0.00000 0.00000 0.00000 0.00000
32 15D+1 -0.79936 0.00000 0.00000 0.00000 -2.14330
33 15D-1 0.00000 -0.79936 0.00000 2.14330 0.00000
34 15D+2 0.00000 -0.57848 0.00000 3.09533 0.00000
35 15D-2 -0.57848 0.00000 0.00000 0.00000 -3.09533
36 16D 0 0.00000 0.00000 0.00000 0.00000 0.00000
37 16D+1 -0.13675 0.00000 0.00000 0.00000 -0.26174
38 16D-1 0.00000 -0.13675 0.00000 0.26174 0.00000
39 16D+2 0.00000 -0.19679 0.00000 0.44109 0.00000
40 16D-2 -0.19679 0.00000 0.00000 0.00000 -0.44109
41 17D 0 0.00000 0.00000 0.00000 0.00000 0.00000
42 17D+1 0.05150 0.00000 0.00000 0.00000 0.10598
43 17D-1 0.00000 0.05150 0.00000 -0.10598 0.00000
44 17D+2 0.00000 0.04091 0.00000 -0.17200 0.00000
45 17D-2 0.04091 0.00000 0.00000 0.00000 0.17200
46 18F 0 0.00000 0.00000 0.00000 0.00000 0.00000
47 18F+1 -0.24705 0.00000 0.00000 0.00000 -0.13913
48 18F-1 0.00000 -0.24705 0.00000 0.13913 0.00000
49 18F+2 0.00000 0.07314 0.00000 -0.46162 0.00000
50 18F-2 0.07314 0.00000 0.00000 0.00000 0.46162
51 18F+3 0.00000 0.00000 0.59034 0.00000 0.00000
52 18F-3 0.00000 0.00000 0.00000 0.00000 0.00000
53 19F 0 0.00000 0.00000 0.00000 0.00000 0.00000
54 19F+1 -0.39823 0.00000 0.00000 0.00000 -0.24101
55 19F-1 0.00000 -0.39823 0.00000 0.24101 0.00000
56 19F+2 0.00000 -0.11433 0.00000 -0.69743 0.00000
57 19F-2 -0.11433 0.00000 0.00000 0.00000 0.69743
58 19F+3 0.00000 0.00000 0.77804 0.00000 0.00000
59 19F-3 0.00000 0.00000 0.00000 0.00000 0.00000
60 20F 0 0.00000 0.00000 0.00000 0.00000 0.00000
61 20F+1 -0.25328 0.00000 0.00000 0.00000 -0.18287
62 20F-1 0.00000 -0.25328 0.00000 0.18287 0.00000
63 20F+2 0.00000 -0.00196 0.00000 -0.42552 0.00000
64 20F-2 -0.00196 0.00000 0.00000 0.00000 0.42552
65 20F+3 0.00000 0.00000 0.22298 0.00000 0.00000
66 20F-3 0.00000 0.00000 0.00000 0.00000 0.00000
67 21G 0 0.00000 0.00000 0.00000 0.00000 0.00000
68 21G+1 0.16069 0.00000 0.00000 0.00000 0.14432
69 21G-1 0.00000 0.16069 0.00000 -0.14432 0.00000
70 21G+2 0.00000 0.02944 0.00000 0.03825 0.00000
71 21G-2 0.02944 0.00000 0.00000 0.00000 -0.03825
72 21G+3 0.00000 0.00000 -0.45681 0.00000 0.00000
73 21G-3 0.00000 0.00000 0.00000 0.00000 0.00000
74 21G+4 0.00000 0.33158 0.00000 -0.11512 0.00000
75 21G-4 -0.33158 0.00000 0.00000 0.00000 -0.11512
76 22G 0 0.00000 0.00000 0.00000 0.00000 0.00000
77 22G+1 0.09730 0.00000 0.00000 0.00000 0.19656
78 22G-1 0.00000 0.09730 0.00000 -0.19656 0.00000
79 22G+2 0.00000 0.10919 0.00000 -0.01510 0.00000
80 22G-2 0.10919 0.00000 0.00000 0.00000 0.01510
81 22G+3 0.00000 0.00000 -0.30499 0.00000 0.00000
82 22G-3 0.00000 0.00000 0.00000 0.00000 0.00000
83 22G+4 0.00000 0.44736 0.00000 -0.13639 0.00000
84 22G-4 -0.44736 0.00000 0.00000 0.00000 -0.13639
85 23H 0 0.00000 0.00000 0.00000 0.00000 0.00000
86 23H+1 0.02137 0.00000 0.00000 0.00000 -0.00555
87 23H-1 0.00000 0.02137 0.00000 0.00555 0.00000
88 23H+2 0.00000 0.03510 0.00000 0.04974 0.00000
89 23H-2 0.03510 0.00000 0.00000 0.00000 -0.04974
90 23H+3 0.00000 0.00000 0.28234 0.00000 0.00000
91 23H-3 0.00000 0.00000 0.00000 0.00000 0.00000
92 23H+4 0.00000 -0.19825 0.00000 -0.03564 0.00000
93 23H-4 0.19825 0.00000 0.00000 0.00000 -0.03564
94 23H+5 -0.05653 0.00000 0.00000 0.00000 0.07013
95 23H-5 0.00000 0.05653 0.00000 0.07013 0.00000
96 2 H 1S 0.00000 -0.26352 0.00000 1.30045 0.00000
97 2S 0.00000 0.71677 0.00000 -2.93066 0.00000
98 3S 0.00000 -1.66512 0.00000 4.46203 0.00000
99 4S 0.00000 -2.75470 0.00000 6.70887 0.00000
100 5S 0.00000 -0.10667 0.00000 0.58255 0.00000
101 6PX 0.07943 0.00000 -0.06398 0.00000 -0.02342
102 6PY 0.00000 -0.03755 0.00000 0.26497 0.00000
103 6PZ 0.00000 0.05077 0.00000 -0.06327 0.00000
104 7PX 0.06383 0.00000 -0.05203 0.00000 -0.00074
105 7PY 0.00000 -0.11111 0.00000 0.28325 0.00000
106 7PZ 0.00000 0.06835 0.00000 -0.07759 0.00000
107 8PX -0.37538 0.00000 0.31342 0.00000 0.03173
108 8PY 0.00000 0.81544 0.00000 -1.80175 0.00000
109 8PZ 0.00000 -0.42324 0.00000 0.48801 0.00000
110 9PX -0.67355 0.00000 0.76196 0.00000 0.12465
111 9PY 0.00000 1.37521 0.00000 -3.77928 0.00000
112 9PZ 0.00000 -0.81562 0.00000 0.98741 0.00000
113 10D 0 0.00000 0.55393 0.00000 0.10629 0.00000
114 10D+1 -0.66266 0.00000 0.77605 0.00000 0.10880
115 10D-1 0.00000 0.40857 0.00000 0.04540 0.00000
116 10D+2 0.00000 -0.32215 0.00000 -0.34471 0.00000
117 10D-2 0.02968 0.00000 -0.03224 0.00000 0.07482
118 11D 0 0.00000 -0.48933 0.00000 -0.06513 0.00000
119 11D+1 0.64784 0.00000 -0.74214 0.00000 -0.10577
120 11D-1 0.00000 -0.40067 0.00000 -0.02628 0.00000
121 11D+2 0.00000 0.33673 0.00000 0.38449 0.00000
122 11D-2 -0.08027 0.00000 0.08611 0.00000 -0.03867
123 12D 0 0.00000 0.28717 0.00000 -0.66955 0.00000
124 12D+1 -0.50225 0.00000 0.34783 0.00000 0.01285
125 12D-1 0.00000 0.81590 0.00000 -0.68816 0.00000
126 12D+2 0.00000 0.37968 0.00000 -1.46829 0.00000
127 12D-2 0.68491 0.00000 -0.59581 0.00000 -0.08573
128 13F 0 0.00000 -0.10655 0.00000 0.13210 0.00000
129 13F+1 -0.08707 0.00000 0.05451 0.00000 0.05887
130 13F-1 0.00000 -0.07834 0.00000 -0.15548 0.00000
131 13F+2 0.00000 -0.22170 0.00000 0.10244 0.00000
132 13F-2 -0.23603 0.00000 -0.01839 0.00000 -0.00294
133 13F+3 -0.26105 0.00000 0.23197 0.00000 0.07787
134 13F-3 0.00000 0.06648 0.00000 -0.21493 0.00000
135 14F 0 0.00000 0.15575 0.00000 -0.21114 0.00000
136 14F+1 0.10786 0.00000 -0.09587 0.00000 -0.06590
137 14F-1 0.00000 0.10148 0.00000 0.24317 0.00000
138 14F+2 0.00000 0.31196 0.00000 -0.20376 0.00000
139 14F-2 0.26031 0.00000 0.03670 0.00000 0.02283
140 14F+3 0.37422 0.00000 -0.32518 0.00000 -0.07450
141 14F-3 0.00000 -0.17522 0.00000 0.33191 0.00000
142 15G 0 0.00000 0.10389 0.00000 0.05089 0.00000
143 15G+1 0.08486 0.00000 0.01100 0.00000 -0.03026
144 15G-1 0.00000 -0.04438 0.00000 0.12034 0.00000
145 15G+2 0.00000 0.12515 0.00000 0.08568 0.00000
146 15G-2 -0.07406 0.00000 0.13513 0.00000 0.07231
147 15G+3 0.16626 0.00000 0.04268 0.00000 0.00441
148 15G-3 0.00000 -0.17857 0.00000 0.03690 0.00000
149 15G+4 0.00000 -0.13920 0.00000 0.04991 0.00000
150 15G-4 -0.22540 0.00000 0.25520 0.00000 0.06436
151 3 H 1S -0.22821 0.13176 0.00000 -0.65023 -1.12622
152 2S 0.62074 -0.35838 0.00000 1.46533 2.53803
153 3S -1.44203 0.83256 0.00000 -2.23101 -3.86423
154 4S -2.38564 1.37735 0.00000 -3.35444 -5.81005
155 5S -0.09238 0.05333 0.00000 -0.29127 -0.50450
156 6PX -0.00831 0.05065 0.03199 -0.10459 -0.20458
157 6PY 0.05065 0.05018 0.05541 0.08380 0.10459
158 6PZ 0.04397 -0.02539 0.00000 0.03163 0.05479
159 7PX -0.06737 0.07575 0.02602 -0.12233 -0.21262
160 7PY 0.07575 0.02010 0.04506 0.07136 0.12233
161 7PZ 0.05919 -0.03418 0.00000 0.03879 0.06719
162 8PX 0.51774 -0.51564 -0.15671 0.76644 1.35924
163 8PY -0.51564 -0.07767 -0.27143 -0.47424 -0.76644
164 8PZ -0.36654 0.21162 0.00000 -0.24401 -0.42263
165 9PX 0.86302 -0.88714 -0.38098 1.58250 2.86562
166 9PY -0.88714 -0.16136 -0.65987 -1.03831 -1.58250
167 9PZ -0.70635 0.40781 0.00000 -0.49370 -0.85512
168 10D 0 0.47972 -0.27697 0.00000 -0.05314 -0.09205
169 10D+1 0.14076 -0.46386 -0.38803 -0.06677 -0.00685
170 10D-1 -0.46386 -0.39486 -0.67208 -0.07025 0.06677
171 10D+2 0.15235 -0.05827 0.02792 -0.14229 -0.11686
172 10D-2 -0.23419 0.15235 0.01612 0.11686 0.27724
173 11D 0 -0.42378 0.24467 0.00000 0.03256 0.05640
174 11D+1 -0.13854 0.45402 0.37107 0.05718 -0.00673
175 11D-1 0.45402 0.38571 0.64271 0.07276 -0.05718
176 11D+2 -0.18057 0.02398 -0.07457 0.12512 0.14974
177 11D-2 0.23248 -0.18057 -0.04305 -0.14974 -0.29803
178 12D 0 0.24870 -0.14358 0.00000 0.33477 0.57985
179 12D+1 0.48636 -0.57078 -0.17391 0.29242 0.51933
180 12D-1 -0.57078 -0.17271 -0.30123 -0.18168 -0.29242
181 12D+2 0.13217 0.60861 0.51598 -0.30277 -0.67291
182 12D-2 0.45599 0.13217 0.29790 0.67291 1.07979
183 13F 0 -0.09228 0.05328 0.00000 -0.06605 -0.11440
184 13F+1 -0.08053 -0.00378 -0.02726 0.04184 0.13133
185 13F-1 -0.00378 -0.08489 -0.04721 -0.08302 -0.04184
186 13F+2 -0.00621 -0.23245 0.01592 0.02781 0.04308
187 13F-2 -0.22528 -0.00621 0.00919 -0.04308 -0.07756
188 13F+3 0.13053 0.22608 0.23197 0.06744 -0.03893
189 13F-3 0.05758 -0.03324 0.00000 0.10747 0.18614
190 14F 0 0.13488 -0.07787 0.00000 0.10557 0.18285
191 14F+1 0.10307 0.00276 0.04794 -0.07676 -0.19885
192 14F-1 0.00276 0.10626 0.08303 0.11022 0.07676
193 14F+2 -0.02236 0.27322 -0.03178 -0.06806 -0.07834
194 14F-2 0.29905 -0.02236 -0.01835 0.07834 0.15853
195 14F+3 -0.18711 -0.32408 -0.32518 -0.06452 0.03725
196 14F-3 -0.15174 0.08761 0.00000 -0.16596 -0.28745
197 15G 0 0.08997 -0.05194 0.00000 -0.02545 -0.04407
198 15G+1 -0.01207 0.05596 -0.00550 -0.03901 -0.09782
199 15G-1 0.05596 0.05255 -0.00953 0.05278 0.03901
200 15G+2 -0.08626 -0.02426 -0.11702 -0.03281 0.06841
201 15G-2 0.07535 -0.08626 -0.06756 -0.06841 -0.04618
202 15G+3 -0.08313 -0.14398 0.04268 0.00382 -0.00220
203 15G-3 -0.15464 0.08928 0.00000 -0.01845 -0.03195
204 15G+4 0.15788 0.13425 0.22101 0.06075 -0.00626
205 15G-4 0.04805 -0.15788 -0.12760 -0.00626 0.05352
206 4 H 1S 0.22821 0.13176 0.00000 -0.65023 1.12622
207 2S -0.62074 -0.35838 0.00000 1.46533 -2.53803
208 3S 1.44203 0.83256 0.00000 -2.23101 3.86423
209 4S 2.38564 1.37735 0.00000 -3.35444 5.81005
210 5S 0.09238 0.05333 0.00000 -0.29127 0.50450
211 6PX -0.00831 -0.05065 0.03199 0.10459 -0.20458
212 6PY -0.05065 0.05018 -0.05541 0.08380 -0.10459
213 6PZ -0.04397 -0.02539 0.00000 0.03163 -0.05479
214 7PX -0.06737 -0.07575 0.02602 0.12233 -0.21262
215 7PY -0.07575 0.02010 -0.04506 0.07136 -0.12233
216 7PZ -0.05919 -0.03418 0.00000 0.03879 -0.06719
217 8PX 0.51774 0.51564 -0.15671 -0.76644 1.35924
218 8PY 0.51564 -0.07767 0.27143 -0.47424 0.76644
219 8PZ 0.36654 0.21162 0.00000 -0.24401 0.42263
220 9PX 0.86302 0.88714 -0.38098 -1.58250 2.86562
221 9PY 0.88714 -0.16136 0.65987 -1.03831 1.58250
222 9PZ 0.70635 0.40781 0.00000 -0.49370 0.85512
223 10D 0 -0.47972 -0.27697 0.00000 -0.05314 0.09205
224 10D+1 0.14076 0.46386 -0.38803 0.06677 -0.00685
225 10D-1 0.46386 -0.39486 0.67208 -0.07025 -0.06677
226 10D+2 -0.15235 -0.05827 -0.02792 -0.14229 0.11686
227 10D-2 -0.23419 -0.15235 0.01612 -0.11686 0.27724
228 11D 0 0.42378 0.24467 0.00000 0.03256 -0.05640
229 11D+1 -0.13854 -0.45402 0.37107 -0.05718 -0.00673
230 11D-1 -0.45402 0.38571 -0.64271 0.07276 0.05718
231 11D+2 0.18057 0.02398 0.07457 0.12512 -0.14974
232 11D-2 0.23248 0.18057 -0.04305 0.14974 -0.29803
233 12D 0 -0.24870 -0.14358 0.00000 0.33477 -0.57985
234 12D+1 0.48636 0.57078 -0.17391 -0.29242 0.51933
235 12D-1 0.57078 -0.17271 0.30123 -0.18168 0.29242
236 12D+2 -0.13217 0.60861 -0.51598 -0.30277 0.67291
237 12D-2 0.45599 -0.13217 0.29790 -0.67291 1.07979
238 13F 0 0.09228 0.05328 0.00000 -0.06605 0.11440
239 13F+1 -0.08053 0.00378 -0.02726 -0.04184 0.13133
240 13F-1 0.00378 -0.08489 0.04721 -0.08302 0.04184
241 13F+2 0.00621 -0.23245 -0.01592 0.02781 -0.04308
242 13F-2 -0.22528 0.00621 0.00919 0.04308 -0.07756
243 13F+3 0.13053 -0.22608 0.23197 -0.06744 -0.03893
244 13F-3 -0.05758 -0.03324 0.00000 0.10747 -0.18614
245 14F 0 -0.13488 -0.07787 0.00000 0.10557 -0.18285
246 14F+1 0.10307 -0.00276 0.04794 0.07676 -0.19885
247 14F-1 -0.00276 0.10626 -0.08303 0.11022 -0.07676
248 14F+2 0.02236 0.27322 0.03178 -0.06806 0.07834
249 14F-2 0.29905 0.02236 -0.01835 -0.07834 0.15853
250 14F+3 -0.18711 0.32408 -0.32518 0.06452 0.03725
251 14F-3 0.15174 0.08761 0.00000 -0.16596 0.28745
252 15G 0 -0.08997 -0.05194 0.00000 -0.02545 0.04407
253 15G+1 -0.01207 -0.05596 -0.00550 0.03901 -0.09782
254 15G-1 -0.05596 0.05255 0.00953 0.05278 -0.03901
255 15G+2 0.08626 -0.02426 0.11702 -0.03281 -0.06841
256 15G-2 0.07535 0.08626 -0.06756 0.06841 -0.04618
257 15G+3 -0.08313 0.14398 0.04268 -0.00382 -0.00220
258 15G-3 0.15464 0.08928 0.00000 -0.01845 0.03195
259 15G+4 -0.15788 0.13425 -0.22101 0.06075 0.00626
260 15G-4 0.04805 0.15788 -0.12760 0.00626 0.05352
236 237 238 239 240
(A1)--V (E)--V (E)--V (A1)--V (E)--V
Eigenvalues -- 14.04289 14.08874 14.08874 14.26506 14.37017
1 1 Si 1S 0.00287 0.00000 0.00000 -0.02418 0.00000
2 2S 0.00898 0.00000 0.00000 -0.12958 0.00000
3 3S 0.03969 0.00000 0.00000 -0.31434 0.00000
4 4S 0.14338 0.00000 0.00000 -1.77574 0.00000
5 5S -1.03832 0.00000 0.00000 4.44140 0.00000
6 6S 1.89300 0.00000 0.00000 6.07997 0.00000
7 7S 0.09814 0.00000 0.00000 1.66315 0.00000
8 8PX 0.00000 -0.02861 0.00000 0.00000 0.04966
9 8PY 0.00000 0.00000 -0.02861 0.00000 0.00000
10 8PZ -0.03069 0.00000 0.00000 -0.80397 0.00000
11 9PX 0.00000 -0.09055 0.00000 0.00000 0.07138
12 9PY 0.00000 0.00000 -0.09055 0.00000 0.00000
13 9PZ -0.08908 0.00000 0.00000 -1.41514 0.00000
14 10PX 0.00000 -0.44848 0.00000 0.00000 -0.03720
15 10PY 0.00000 0.00000 -0.44848 0.00000 0.00000
16 10PZ -0.37263 0.00000 0.00000 -1.26411 0.00000
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52 18F-3 -0.49407 0.00000 0.00000 -0.18318 0.00000
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57 19F-2 0.00000 -0.36627 0.00000 0.00000 0.07174
58 19F+3 0.00000 0.00000 0.00000 0.00000 0.00000
59 19F-3 -0.69691 0.00000 0.00000 0.10286 0.00000
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62 20F-1 0.00000 0.00000 -0.03225 0.00000 0.00000
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64 20F-2 0.00000 -0.03894 0.00000 0.00000 -0.10969
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66 20F-3 -0.01906 0.00000 0.00000 -0.62812 0.00000
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97 2S 0.12651 0.00000 0.17693 1.33641 0.00000
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99 4S -0.29280 0.00000 -0.42847 -3.39235 0.00000
100 5S -0.00901 0.00000 -0.00053 -0.35590 0.00000
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108 8PY 0.03654 0.00000 0.16244 0.30481 0.00000
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110 9PX 0.00000 -0.84845 0.00000 0.00000 -0.13755
111 9PY -0.16595 0.00000 0.47889 2.19276 0.00000
112 9PZ -0.55489 0.00000 -0.07078 -0.87530 0.00000
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115 10D-1 -0.18685 0.00000 0.24323 0.23473 0.00000
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117 10D-2 0.00000 0.20156 0.00000 0.00000 0.04659
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119 11D+1 0.00000 -0.97488 0.00000 0.00000 -0.02422
120 11D-1 0.14726 0.00000 -0.23137 -0.30206 0.00000
121 11D+2 -0.41294 0.00000 0.18842 -0.43111 0.00000
122 11D-2 0.00000 -0.26038 0.00000 0.00000 -0.09615
123 12D 0 -0.66362 0.00000 0.35310 0.42693 0.00000
124 12D+1 0.00000 0.35112 0.00000 0.00000 0.03913
125 12D-1 0.34276 0.00000 0.13258 0.85257 0.00000
126 12D+2 0.06032 0.00000 0.07617 0.92050 0.00000
127 12D-2 0.00000 0.98667 0.00000 0.00000 0.17219
128 13F 0 -0.03772 0.00000 -0.02755 -0.13877 0.00000
129 13F+1 0.00000 -0.15409 0.00000 0.00000 -0.03638
130 13F-1 -0.25701 0.00000 0.10689 0.09529 0.00000
131 13F+2 -0.12334 0.00000 0.01729 -0.19954 0.00000
132 13F-2 0.00000 0.01354 0.00000 0.00000 0.00689
133 13F+3 0.00000 -0.40447 0.00000 0.00000 -0.12555
134 13F-3 0.06577 0.00000 -0.09161 0.19384 0.00000
135 14F 0 0.06885 0.00000 0.04329 0.21543 0.00000
136 14F+1 0.00000 0.16011 0.00000 0.00000 0.04889
137 14F-1 0.32437 0.00000 -0.15358 -0.10492 0.00000
138 14F+2 0.16858 0.00000 -0.01123 0.31777 0.00000
139 14F-2 0.00000 0.09678 0.00000 0.00000 -0.01286
140 14F+3 0.00000 0.55376 0.00000 0.00000 0.13843
141 14F-3 -0.00332 0.00000 0.03258 -0.28371 0.00000
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143 15G+1 0.00000 0.04754 0.00000 0.00000 0.01737
144 15G-1 -0.02272 0.00000 -0.01059 -0.14290 0.00000
145 15G+2 0.15528 0.00000 -0.07296 -0.02345 0.00000
146 15G-2 0.00000 -0.02882 0.00000 0.00000 -0.04257
147 15G+3 0.00000 0.21075 0.00000 0.00000 -0.01814
148 15G-3 -0.07719 0.00000 0.00834 -0.16819 0.00000
149 15G+4 0.04850 0.00000 -0.03464 -0.14345 0.00000
150 15G-4 0.00000 -0.29386 0.00000 0.00000 -0.07905
151 3 H 1S -0.05600 -0.05495 0.03172 -0.61971 0.04279
152 2S 0.12651 0.15322 -0.08846 1.33641 -0.06898
153 3S -0.62463 -0.02571 0.01485 -0.91253 0.01468
154 4S -0.29280 -0.37106 0.21423 -3.39235 -0.33448
155 5S -0.00901 -0.00046 0.00026 -0.35590 0.00251
156 6PX 0.00963 0.01422 0.04486 -0.11984 0.03136
157 6PY -0.00556 0.04486 0.06602 0.06919 -0.00117
158 6PZ 0.06605 -0.00784 0.00452 0.08501 0.02591
159 7PX 0.00795 -0.01210 0.04447 -0.07186 0.00055
160 7PY -0.00459 0.04447 0.03925 0.04149 -0.00476
161 7PZ 0.04477 0.00052 -0.00030 0.04995 0.03020
162 8PX 0.03164 0.01719 -0.25158 0.26397 0.00551
163 8PY -0.01827 -0.25158 -0.27331 -0.15240 0.02251
164 8PZ -0.32091 0.02733 -0.01578 -0.32061 -0.23984
165 9PX -0.14372 0.14705 -0.57475 1.89899 0.28536
166 9PY 0.08298 -0.57475 -0.51662 -1.09638 -0.24417
167 9PZ -0.55489 -0.06129 0.03539 -0.87530 0.53639
168 10D 0 -0.65343 0.19380 -0.11189 0.25023 0.65681
169 10D+1 -0.16181 0.43090 0.32505 0.20328 -0.73992
170 10D-1 0.09342 0.32505 0.80623 -0.11736 0.44110
171 10D+2 -0.21467 0.16308 0.10741 -0.16417 -0.16149
172 10D-2 0.37183 -0.08090 0.16308 0.28435 0.32631
173 11D 0 0.66248 -0.19509 0.11263 -0.30460 -0.69889
174 11D+1 0.12753 -0.41725 -0.32195 -0.26159 0.80986
175 11D-1 -0.07363 -0.32195 -0.78900 0.15103 -0.48155
176 11D+2 0.20647 -0.19433 -0.14818 0.21556 0.14780
177 11D-2 -0.35762 0.07622 -0.19433 -0.37335 -0.35214
178 12D 0 -0.66362 0.30579 -0.17655 0.42693 0.39181
179 12D+1 0.29684 0.18722 0.09463 0.73834 -0.42741
180 12D-1 -0.17138 0.09463 0.29648 -0.42628 0.26936
181 12D+2 -0.03016 0.39426 0.75904 -0.46025 -0.07106
182 12D-2 0.05223 0.30379 0.39426 0.79718 0.29527
183 13F 0 -0.03772 -0.02386 0.01377 -0.13877 0.04549
184 13F+1 -0.22258 0.04165 -0.11301 0.08252 0.06599
185 13F-1 0.12851 -0.11301 -0.08884 -0.04764 -0.05911
186 13F+2 0.06167 -0.00163 0.01448 0.09977 -0.03276
187 13F-2 -0.10682 0.01636 -0.00163 -0.17280 0.06363
188 13F+3 0.00000 0.20223 0.35028 0.00000 0.06278
189 13F-3 0.06577 -0.07933 0.04580 0.19384 0.04372
190 14F 0 0.06885 0.03749 -0.02164 0.21543 -0.01850
191 14F+1 0.28091 -0.07515 0.13583 -0.09086 0.00182
192 14F-1 -0.16219 0.13583 0.08169 0.05246 0.02718
193 14F+2 -0.08429 0.04677 0.06978 -0.15888 -0.00035
194 14F-2 0.14599 0.01577 0.04677 0.27519 -0.01225
195 14F+3 0.00000 -0.27688 -0.47957 0.00000 -0.06921
196 14F-3 -0.00332 0.02821 -0.01629 -0.28371 -0.04914
197 15G 0 0.12902 -0.01800 0.01039 -0.01142 0.06883
198 15G+1 -0.01968 0.00394 0.02517 -0.12375 -0.00186
199 15G-1 0.01136 0.02517 0.03301 0.07145 0.01110
200 15G+2 -0.07764 0.01911 -0.03986 0.01173 -0.06860
201 15G-2 0.13447 -0.06193 0.01911 -0.02031 0.07624
202 15G+3 0.00000 -0.10537 -0.18251 0.00000 0.00907
203 15G-3 -0.07719 0.00722 -0.00417 -0.16819 -0.06727
204 15G+4 -0.02425 0.14224 0.21173 0.07172 0.04344
205 15G-4 -0.04200 -0.04748 -0.14224 0.12423 -0.00380
206 4 H 1S -0.05600 0.05495 0.03172 -0.61971 -0.04279
207 2S 0.12651 -0.15322 -0.08846 1.33641 0.06898
208 3S -0.62463 0.02571 0.01485 -0.91253 -0.01468
209 4S -0.29280 0.37106 0.21423 -3.39235 0.33448
210 5S -0.00901 0.00046 0.00026 -0.35590 -0.00251
211 6PX -0.00963 0.01422 -0.04486 0.11984 0.03136
212 6PY -0.00556 -0.04486 0.06602 0.06919 0.00117
213 6PZ 0.06605 0.00784 0.00452 0.08501 -0.02591
214 7PX -0.00795 -0.01210 -0.04447 0.07186 0.00055
215 7PY -0.00459 -0.04447 0.03925 0.04149 0.00476
216 7PZ 0.04477 -0.00052 -0.00030 0.04995 -0.03020
217 8PX -0.03164 0.01719 0.25158 -0.26397 0.00551
218 8PY -0.01827 0.25158 -0.27331 -0.15240 -0.02251
219 8PZ -0.32091 -0.02733 -0.01578 -0.32061 0.23984
220 9PX 0.14372 0.14705 0.57475 -1.89899 0.28536
221 9PY 0.08298 0.57475 -0.51662 -1.09638 0.24417
222 9PZ -0.55489 0.06129 0.03539 -0.87530 -0.53639
223 10D 0 -0.65343 -0.19380 -0.11189 0.25023 -0.65681
224 10D+1 0.16181 0.43090 -0.32505 -0.20328 -0.73992
225 10D-1 0.09342 -0.32505 0.80623 -0.11736 -0.44110
226 10D+2 -0.21467 -0.16308 0.10741 -0.16417 0.16149
227 10D-2 -0.37183 -0.08090 -0.16308 -0.28435 0.32631
228 11D 0 0.66248 0.19509 0.11263 -0.30460 0.69889
229 11D+1 -0.12753 -0.41725 0.32195 0.26159 0.80986
230 11D-1 -0.07363 0.32195 -0.78900 0.15103 0.48155
231 11D+2 0.20647 0.19433 -0.14818 0.21556 -0.14780
232 11D-2 0.35762 0.07622 0.19433 0.37335 -0.35214
233 12D 0 -0.66362 -0.30579 -0.17655 0.42693 -0.39181
234 12D+1 -0.29684 0.18722 -0.09463 -0.73834 -0.42741
235 12D-1 -0.17138 -0.09463 0.29648 -0.42628 -0.26936
236 12D+2 -0.03016 -0.39426 0.75904 -0.46025 0.07106
237 12D-2 -0.05223 0.30379 -0.39426 -0.79718 0.29527
238 13F 0 -0.03772 0.02386 0.01377 -0.13877 -0.04549
239 13F+1 0.22258 0.04165 0.11301 -0.08252 0.06599
240 13F-1 0.12851 0.11301 -0.08884 -0.04764 0.05911
241 13F+2 0.06167 0.00163 0.01448 0.09977 0.03276
242 13F-2 0.10682 0.01636 0.00163 0.17280 0.06363
243 13F+3 0.00000 0.20223 -0.35028 0.00000 0.06278
244 13F-3 0.06577 0.07933 0.04580 0.19384 -0.04372
245 14F 0 0.06885 -0.03749 -0.02164 0.21543 0.01850
246 14F+1 -0.28091 -0.07515 -0.13583 0.09086 0.00182
247 14F-1 -0.16219 -0.13583 0.08169 0.05246 -0.02718
248 14F+2 -0.08429 -0.04677 0.06978 -0.15888 0.00035
249 14F-2 -0.14599 0.01577 -0.04677 -0.27519 -0.01225
250 14F+3 0.00000 -0.27688 0.47957 0.00000 -0.06921
251 14F-3 -0.00332 -0.02821 -0.01629 -0.28371 0.04914
252 15G 0 0.12902 0.01800 0.01039 -0.01142 -0.06883
253 15G+1 0.01968 0.00394 -0.02517 0.12375 -0.00186
254 15G-1 0.01136 -0.02517 0.03301 0.07145 -0.01110
255 15G+2 -0.07764 -0.01911 -0.03986 0.01173 0.06860
256 15G-2 -0.13447 -0.06193 -0.01911 0.02031 0.07624
257 15G+3 0.00000 -0.10537 0.18251 0.00000 0.00907
258 15G-3 -0.07719 -0.00722 -0.00417 -0.16819 0.06727
259 15G+4 -0.02425 -0.14224 0.21173 0.07172 -0.04344
260 15G-4 0.04200 -0.04748 0.14224 -0.12423 -0.00380
241 242 243 244 245
(E)--V (A2)--V (A1)--V (E)--V (E)--V
Eigenvalues -- 14.37017 14.47303 14.50763 14.58424 14.58424
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3 3S 0.00000 0.00000 -0.06989 0.00000 0.00000
4 4S 0.00000 0.00000 -0.15747 0.00000 0.00000
5 5S 0.00000 0.00000 -0.27769 0.00000 0.00000
6 6S 0.00000 0.00000 1.56165 0.00000 0.00000
7 7S 0.00000 0.00000 -0.06396 0.00000 0.00000
8 8PX 0.00000 0.00000 0.00000 0.20443 0.00000
9 8PY 0.04966 0.00000 0.00000 0.00000 -0.20443
10 8PZ 0.00000 0.00000 0.06547 0.00000 0.00000
11 9PX 0.00000 0.00000 0.00000 0.35942 0.00000
12 9PY 0.07138 0.00000 0.00000 0.00000 -0.35942
13 9PZ 0.00000 0.00000 0.07691 0.00000 0.00000
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15 10PY -0.03720 0.00000 0.00000 0.00000 -0.36865
16 10PZ 0.00000 0.00000 -0.08859 0.00000 0.00000
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18 11PY 0.41058 0.00000 0.00000 0.00000 -0.19834
19 11PZ 0.00000 0.00000 0.19681 0.00000 0.00000
20 12PX 0.00000 0.00000 0.00000 0.36219 0.00000
21 12PY 0.06132 0.00000 0.00000 0.00000 -0.36219
22 12PZ 0.00000 0.00000 -0.74995 0.00000 0.00000
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24 13PY 0.03035 0.00000 0.00000 0.00000 -0.14190
25 13PZ 0.00000 0.00000 0.07902 0.00000 0.00000
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27 14D+1 0.00000 0.00000 0.00000 -0.11117 0.00000
28 14D-1 -0.30210 0.00000 0.00000 0.00000 0.11117
29 14D+2 0.10190 0.00000 0.00000 0.00000 0.51507
30 14D-2 0.00000 0.00000 0.00000 -0.51507 0.00000
31 15D 0 0.00000 0.00000 -0.37917 0.00000 0.00000
32 15D+1 0.00000 0.00000 0.00000 0.04055 0.00000
33 15D-1 -0.51773 0.00000 0.00000 0.00000 -0.04055
34 15D+2 0.05278 0.00000 0.00000 0.00000 -0.28827
35 15D-2 0.00000 0.00000 0.00000 0.28827 0.00000
36 16D 0 0.00000 0.00000 -0.08687 0.00000 0.00000
37 16D+1 0.00000 0.00000 0.00000 -0.06897 0.00000
38 16D-1 0.14693 0.00000 0.00000 0.00000 0.06897
39 16D+2 -0.01700 0.00000 0.00000 0.00000 0.03958
40 16D-2 0.00000 0.00000 0.00000 -0.03958 0.00000
41 17D 0 0.00000 0.00000 0.11041 0.00000 0.00000
42 17D+1 0.00000 0.00000 0.00000 0.01903 0.00000
43 17D-1 -0.09186 0.00000 0.00000 0.00000 -0.01903
44 17D+2 0.02215 0.00000 0.00000 0.00000 0.10892
45 17D-2 0.00000 0.00000 0.00000 -0.10892 0.00000
46 18F 0 0.00000 0.00000 0.13773 0.00000 0.00000
47 18F+1 0.00000 0.00000 0.00000 0.00714 0.00000
48 18F-1 0.19937 0.00000 0.00000 0.00000 -0.00714
49 18F+2 0.12139 0.00000 0.00000 0.00000 -0.23019
50 18F-2 0.00000 0.00000 0.00000 0.23019 0.00000
51 18F+3 0.00000 0.37001 0.00000 0.00000 0.00000
52 18F-3 0.00000 0.00000 0.01982 0.00000 0.00000
53 19F 0 0.00000 0.00000 0.02304 0.00000 0.00000
54 19F+1 0.00000 0.00000 0.00000 0.13264 0.00000
55 19F-1 0.16351 0.00000 0.00000 0.00000 -0.13264
56 19F+2 0.07174 0.00000 0.00000 0.00000 0.11869
57 19F-2 0.00000 0.00000 0.00000 -0.11869 0.00000
58 19F+3 0.00000 0.35542 0.00000 0.00000 0.00000
59 19F-3 0.00000 0.00000 -0.12427 0.00000 0.00000
60 20F 0 0.00000 0.00000 -0.08410 0.00000 0.00000
61 20F+1 0.00000 0.00000 0.00000 -0.05594 0.00000
62 20F-1 -0.14595 0.00000 0.00000 0.00000 0.05594
63 20F+2 -0.10969 0.00000 0.00000 0.00000 0.09513
64 20F-2 0.00000 0.00000 0.00000 -0.09513 0.00000
65 20F+3 0.00000 -0.36951 0.00000 0.00000 0.00000
66 20F-3 0.00000 0.00000 -0.14330 0.00000 0.00000
67 21G 0 0.00000 0.00000 0.03651 0.00000 0.00000
68 21G+1 0.00000 0.00000 0.00000 -0.08590 0.00000
69 21G-1 0.01475 0.00000 0.00000 0.00000 0.08590
70 21G+2 -0.09043 0.00000 0.00000 0.00000 0.21015
71 21G-2 0.00000 0.00000 0.00000 -0.21015 0.00000
72 21G+3 0.00000 -0.12001 0.00000 0.00000 0.00000
73 21G-3 0.00000 0.00000 -0.05266 0.00000 0.00000
74 21G+4 -0.08691 0.00000 0.00000 0.00000 -0.14790
75 21G-4 0.00000 0.00000 0.00000 -0.14790 0.00000
76 22G 0 0.00000 0.00000 0.36223 0.00000 0.00000
77 22G+1 0.00000 0.00000 0.00000 0.01402 0.00000
78 22G-1 -0.02809 0.00000 0.00000 0.00000 -0.01402
79 22G+2 0.20990 0.00000 0.00000 0.00000 0.07038
80 22G-2 0.00000 0.00000 0.00000 -0.07038 0.00000
81 22G+3 0.00000 0.39436 0.00000 0.00000 0.00000
82 22G-3 0.00000 0.00000 -0.21231 0.00000 0.00000
83 22G+4 0.15480 0.00000 0.00000 0.00000 -0.30350
84 22G-4 0.00000 0.00000 0.00000 -0.30350 0.00000
85 23H 0 0.00000 0.00000 -0.09264 0.00000 0.00000
86 23H+1 0.00000 0.00000 0.00000 -0.00748 0.00000
87 23H-1 0.11712 0.00000 0.00000 0.00000 0.00748
88 23H+2 -0.00271 0.00000 0.00000 0.00000 -0.15959
89 23H-2 0.00000 0.00000 0.00000 0.15959 0.00000
90 23H+3 0.00000 -0.18340 0.00000 0.00000 0.00000
91 23H-3 0.00000 0.00000 0.37837 0.00000 0.00000
92 23H+4 0.01390 0.00000 0.00000 0.00000 0.27269
93 23H-4 0.00000 0.00000 0.00000 0.27269 0.00000
94 23H+5 0.00000 0.00000 0.00000 0.30218 0.00000
95 23H-5 0.13583 0.00000 0.00000 0.00000 0.30218
96 2 H 1S 0.04941 0.00000 -0.07218 0.00000 -0.05533
97 2S -0.07965 0.00000 0.15590 0.00000 0.14824
98 3S 0.01695 0.00000 -0.25149 0.00000 -0.62434
99 4S -0.38623 0.00000 -0.46005 0.00000 1.37600
100 5S 0.00289 0.00000 0.03892 0.00000 0.06431
101 6PX 0.00000 0.04405 0.00000 0.06276 0.00000
102 6PY 0.03203 0.00000 -0.01032 0.00000 -0.04389
103 6PZ 0.02992 0.00000 0.06125 0.00000 0.00195
104 7PX 0.00000 0.02493 0.00000 0.08212 0.00000
105 7PY 0.00330 0.00000 0.01477 0.00000 0.00180
106 7PZ 0.03487 0.00000 0.05236 0.00000 0.01638
107 8PX 0.00000 -0.16570 0.00000 -0.67689 0.00000
108 8PY -0.00748 0.00000 -0.04815 0.00000 0.21273
109 8PZ -0.27694 0.00000 -0.44963 0.00000 -0.18702
110 9PX 0.00000 0.48748 0.00000 0.51059 0.00000
111 9PY 0.42633 0.00000 0.29283 0.00000 -0.67742
112 9PZ 0.61937 0.00000 0.22998 0.00000 0.16196
113 10D 0 0.75842 0.00000 0.42298 0.00000 -0.11421
114 10D+1 0.00000 0.18921 0.00000 0.21313 0.00000
115 10D-1 -0.99459 0.00000 -0.81584 0.00000 -0.22809
116 10D+2 0.41954 0.00000 0.15751 0.00000 -0.40341
117 10D-2 0.00000 -0.87769 0.00000 -1.19883 0.00000
118 11D 0 -0.80701 0.00000 -0.48684 0.00000 0.10534
119 11D+1 0.00000 -0.21849 0.00000 -0.24038 0.00000
120 11D-1 1.08788 0.00000 0.91486 0.00000 0.29341
121 11D+2 -0.43747 0.00000 -0.18188 0.00000 0.48183
122 11D-2 0.00000 0.93270 0.00000 1.41089 0.00000
123 12D 0 0.45243 0.00000 0.21473 0.00000 -0.05497
124 12D+1 0.00000 0.22395 0.00000 -0.06391 0.00000
125 12D-1 -0.58293 0.00000 -0.26434 0.00000 -0.18941
126 12D+2 0.33629 0.00000 0.02798 0.00000 -0.49420
127 12D-2 0.00000 -0.42661 0.00000 -0.55753 0.00000
128 13F 0 0.05252 0.00000 0.03667 0.00000 0.05311
129 13F+1 0.00000 -0.03653 0.00000 0.08350 0.00000
130 13F-1 0.10012 0.00000 0.07646 0.00000 0.06390
131 13F+2 0.08255 0.00000 0.01515 0.00000 0.06063
132 13F-2 0.00000 0.07770 0.00000 -0.01914 0.00000
133 13F+3 0.00000 -0.01426 0.00000 0.17646 0.00000
134 13F-3 0.05048 0.00000 -0.04378 0.00000 -0.15822
135 14F 0 -0.02136 0.00000 0.02710 0.00000 -0.05776
136 14F+1 0.00000 0.07463 0.00000 -0.06140 0.00000
137 14F-1 -0.01387 0.00000 0.02095 0.00000 -0.06048
138 14F+2 -0.01204 0.00000 0.08392 0.00000 -0.04922
139 14F-2 0.00000 -0.08315 0.00000 0.12677 0.00000
140 14F+3 0.00000 0.12542 0.00000 -0.00300 0.00000
141 14F-3 -0.05674 0.00000 0.09706 0.00000 0.20058
142 15G 0 0.07948 0.00000 0.06299 0.00000 -0.07697
143 15G+1 0.00000 0.00775 0.00000 0.04225 0.00000
144 15G-1 -0.00827 0.00000 -0.04702 0.00000 0.02837
145 15G+2 0.11584 0.00000 0.09860 0.00000 -0.00281
146 15G-2 0.00000 -0.11673 0.00000 0.01983 0.00000
147 15G+3 0.00000 -0.00459 0.00000 0.13971 0.00000
148 15G-3 -0.07768 0.00000 -0.09834 0.00000 0.00176
149 15G+4 -0.02128 0.00000 0.09767 0.00000 0.12688
150 15G-4 0.00000 -0.20763 0.00000 -0.12891 0.00000
151 3 H 1S -0.02471 0.00000 -0.07218 0.04792 0.02767
152 2S 0.03983 0.00000 0.15590 -0.12838 -0.07412
153 3S -0.00847 0.00000 -0.25149 0.54070 0.31217
154 4S 0.19311 0.00000 -0.46005 -1.19165 -0.68800
155 5S -0.00145 0.00000 0.03892 -0.05569 -0.03216
156 6PX -0.00117 -0.02203 -0.00894 0.04861 -0.00817
157 6PY 0.03000 -0.03815 0.00516 0.00817 -0.05804
158 6PZ -0.01496 0.00000 0.06125 -0.00169 -0.00097
159 7PX -0.00476 -0.01246 0.01279 0.01918 -0.03634
160 7PY -0.00494 -0.02159 -0.00738 0.03634 -0.06114
161 7PZ -0.01744 0.00000 0.05236 -0.01419 -0.00819
162 8PX 0.02251 0.08285 -0.04170 -0.32877 0.20099
163 8PY 0.03150 0.14350 0.02408 -0.20099 0.56085
164 8PZ 0.13847 0.00000 -0.44963 0.16196 0.09351
165 9PX -0.24417 -0.24374 0.25360 0.63571 0.07224
166 9PY 0.00342 -0.42217 -0.14642 -0.07224 -0.55229
167 9PZ -0.30968 0.00000 0.22998 -0.14026 -0.08098
168 10D 0 -0.37921 0.00000 0.42298 0.09891 0.05711
169 10D+1 0.44110 -0.09461 -0.70654 0.22435 0.00648
170 10D-1 -0.23058 -0.16386 0.40792 -0.00648 -0.21687
171 10D+2 0.13983 0.76010 -0.07875 -0.69379 0.79827
172 10D-2 -0.16149 0.43885 0.13641 0.00285 0.69379
173 11D 0 0.40351 0.00000 -0.48684 -0.09123 -0.05267
174 11D+1 -0.48155 0.10924 0.79229 -0.28015 -0.02296
175 11D-1 0.25381 0.18922 -0.45743 0.02296 0.25364
176 11D+2 -0.18148 -0.80774 0.09094 0.81957 -0.93771
177 11D-2 0.14780 -0.46635 -0.15751 -0.00865 -0.81957
178 12D 0 -0.22621 0.00000 0.21473 0.04760 0.02748
179 12D+1 0.26936 -0.11198 -0.22892 0.12608 0.10969
180 12D-1 -0.11638 -0.19395 0.13217 -0.10969 0.00058
181 12D+2 0.21322 0.36945 -0.01399 -0.45541 0.29459
182 12D-2 -0.07106 0.21330 0.02423 0.23127 0.45541
183 13F 0 -0.02626 0.00000 0.03667 -0.04600 -0.02656
184 13F+1 -0.05911 0.01827 0.06622 -0.02705 -0.06382
185 13F-1 -0.00226 0.03164 -0.03823 0.06382 -0.04665
186 13F+2 0.02580 -0.06729 -0.00757 0.01797 0.02951
187 13F-2 -0.03276 -0.03885 0.01312 -0.05026 -0.01797
188 13F+3 0.10873 -0.01426 0.00000 -0.08823 0.15281
189 13F-3 -0.02524 0.00000 -0.04378 0.13703 0.07911
190 14F 0 0.01068 0.00000 0.02710 0.05002 0.02888
191 14F+1 0.02718 -0.03732 0.01814 0.03001 0.05277
192 14F-1 0.03320 -0.06463 -0.01047 -0.05277 0.03093
193 14F+2 -0.01265 0.07201 -0.04196 0.03358 -0.10738
194 14F-2 -0.00035 0.04157 0.07267 0.06860 -0.03358
195 14F+3 -0.11988 0.12542 0.00000 0.00150 -0.00260
196 14F-3 0.02837 0.00000 0.09706 -0.17371 -0.10029
197 15G 0 -0.03974 0.00000 0.06299 0.06666 0.03848
198 15G+1 0.01110 -0.00388 -0.04072 -0.01071 -0.03058
199 15G-1 0.01096 -0.00671 0.02351 0.03058 -0.02459
200 15G+2 -0.00297 0.10109 -0.04930 0.00737 -0.01558
201 15G-2 -0.06860 0.05837 0.08539 0.00707 -0.00737
202 15G+3 0.01571 -0.00459 0.00000 -0.06986 0.12099
203 15G-3 0.03884 0.00000 -0.09834 -0.00153 -0.00088
204 15G+4 0.05397 -0.17981 -0.04883 0.11076 -0.06497
205 15G-4 -0.04344 0.10381 -0.08458 0.06293 0.11076
206 4 H 1S -0.02471 0.00000 -0.07218 -0.04792 0.02767
207 2S 0.03983 0.00000 0.15590 0.12838 -0.07412
208 3S -0.00847 0.00000 -0.25149 -0.54070 0.31217
209 4S 0.19311 0.00000 -0.46005 1.19165 -0.68800
210 5S -0.00145 0.00000 0.03892 0.05569 -0.03216
211 6PX 0.00117 -0.02203 0.00894 0.04861 0.00817
212 6PY 0.03000 0.03815 0.00516 -0.00817 -0.05804
213 6PZ -0.01496 0.00000 0.06125 0.00169 -0.00097
214 7PX 0.00476 -0.01246 -0.01279 0.01918 0.03634
215 7PY -0.00494 0.02159 -0.00738 -0.03634 -0.06114
216 7PZ -0.01744 0.00000 0.05236 0.01419 -0.00819
217 8PX -0.02251 0.08285 0.04170 -0.32877 -0.20099
218 8PY 0.03150 -0.14350 0.02408 0.20099 0.56085
219 8PZ 0.13847 0.00000 -0.44963 -0.16196 0.09351
220 9PX 0.24417 -0.24374 -0.25360 0.63571 -0.07224
221 9PY 0.00342 0.42217 -0.14642 0.07224 -0.55229
222 9PZ -0.30968 0.00000 0.22998 0.14026 -0.08098
223 10D 0 -0.37921 0.00000 0.42298 -0.09891 0.05711
224 10D+1 -0.44110 -0.09461 0.70654 0.22435 -0.00648
225 10D-1 -0.23058 0.16386 0.40792 0.00648 -0.21687
226 10D+2 0.13983 -0.76010 -0.07875 0.69379 0.79827
227 10D-2 0.16149 0.43885 -0.13641 0.00285 -0.69379
228 11D 0 0.40351 0.00000 -0.48684 0.09123 -0.05267
229 11D+1 0.48155 0.10924 -0.79229 -0.28015 0.02296
230 11D-1 0.25381 -0.18922 -0.45743 -0.02296 0.25364
231 11D+2 -0.18148 0.80774 0.09094 -0.81957 -0.93771
232 11D-2 -0.14780 -0.46635 0.15751 -0.00865 0.81957
233 12D 0 -0.22621 0.00000 0.21473 -0.04760 0.02748
234 12D+1 -0.26936 -0.11198 0.22892 0.12608 -0.10969
235 12D-1 -0.11638 0.19395 0.13217 0.10969 0.00058
236 12D+2 0.21322 -0.36945 -0.01399 0.45541 0.29459
237 12D-2 0.07106 0.21330 -0.02423 0.23127 -0.45541
238 13F 0 -0.02626 0.00000 0.03667 0.04600 -0.02656
239 13F+1 0.05911 0.01827 -0.06622 -0.02705 0.06382
240 13F-1 -0.00226 -0.03164 -0.03823 -0.06382 -0.04665
241 13F+2 0.02580 0.06729 -0.00757 -0.01797 0.02951
242 13F-2 0.03276 -0.03885 -0.01312 -0.05026 0.01797
243 13F+3 -0.10873 -0.01426 0.00000 -0.08823 -0.15281
244 13F-3 -0.02524 0.00000 -0.04378 -0.13703 0.07911
245 14F 0 0.01068 0.00000 0.02710 -0.05002 0.02888
246 14F+1 -0.02718 -0.03732 -0.01814 0.03001 -0.05277
247 14F-1 0.03320 0.06463 -0.01047 0.05277 0.03093
248 14F+2 -0.01265 -0.07201 -0.04196 -0.03358 -0.10738
249 14F-2 0.00035 0.04157 -0.07267 0.06860 0.03358
250 14F+3 0.11988 0.12542 0.00000 0.00150 0.00260
251 14F-3 0.02837 0.00000 0.09706 0.17371 -0.10029
252 15G 0 -0.03974 0.00000 0.06299 -0.06666 0.03848
253 15G+1 -0.01110 -0.00388 0.04072 -0.01071 0.03058
254 15G-1 0.01096 0.00671 0.02351 -0.03058 -0.02459
255 15G+2 -0.00297 -0.10109 -0.04930 -0.00737 -0.01558
256 15G-2 0.06860 0.05837 -0.08539 0.00707 0.00737
257 15G+3 -0.01571 -0.00459 0.00000 -0.06986 -0.12099
258 15G-3 0.03884 0.00000 -0.09834 0.00153 -0.00088
259 15G+4 0.05397 0.17981 -0.04883 -0.11076 -0.06497
260 15G-4 0.04344 0.10381 0.08458 0.06293 -0.11076
246 247 248 249 250
(E)--V (E)--V (A1)--V (E)--V (E)--V
Eigenvalues -- 15.32786 15.32786 15.49547 16.05702 16.05702
1 1 Si 1S 0.00000 0.00000 -0.03265 0.00000 0.00000
2 2S 0.00000 0.00000 0.01355 0.00000 0.00000
3 3S 0.00000 0.00000 -1.03210 0.00000 0.00000
4 4S 0.00000 0.00000 -4.28744 0.00000 0.00000
5 5S 0.00000 0.00000 5.10872 0.00000 0.00000
6 6S 0.00000 0.00000 3.32268 0.00000 0.00000
7 7S 0.00000 0.00000 0.34939 0.00000 0.00000
8 8PX -0.81147 0.00000 0.00000 0.00000 2.19768
9 8PY 0.00000 -0.81147 0.00000 2.19768 0.00000
10 8PZ 0.00000 0.00000 -0.43277 0.00000 0.00000
11 9PX -1.69422 0.00000 0.00000 0.00000 4.11236
12 9PY 0.00000 -1.69422 0.00000 4.11236 0.00000
13 9PZ 0.00000 0.00000 -0.70488 0.00000 0.00000
14 10PX -3.74156 0.00000 0.00000 0.00000 4.81217
15 10PY 0.00000 -3.74156 0.00000 4.81217 0.00000
16 10PZ 0.00000 0.00000 0.02576 0.00000 0.00000
17 11PX 7.16692 0.00000 0.00000 0.00000 -4.23349
18 11PY 0.00000 7.16692 0.00000 -4.23349 0.00000
19 11PZ 0.00000 0.00000 -2.01953 0.00000 0.00000
20 12PX 2.07799 0.00000 0.00000 0.00000 -2.06203
21 12PY 0.00000 2.07799 0.00000 -2.06203 0.00000
22 12PZ 0.00000 0.00000 -0.54793 0.00000 0.00000
23 13PX -0.05734 0.00000 0.00000 0.00000 0.16838
24 13PY 0.00000 -0.05734 0.00000 0.16838 0.00000
25 13PZ 0.00000 0.00000 -0.00338 0.00000 0.00000
26 14D 0 0.00000 0.00000 -0.25466 0.00000 0.00000
27 14D+1 -0.30380 0.00000 0.00000 0.00000 0.24553
28 14D-1 0.00000 -0.30380 0.00000 0.24553 0.00000
29 14D+2 0.00000 -0.51341 0.00000 0.33426 0.00000
30 14D-2 -0.51341 0.00000 0.00000 0.00000 0.33426
31 15D 0 0.00000 0.00000 -1.49111 0.00000 0.00000
32 15D+1 -2.97448 0.00000 0.00000 0.00000 1.83337
33 15D-1 0.00000 -2.97448 0.00000 1.83337 0.00000
34 15D+2 0.00000 -3.87216 0.00000 2.71335 0.00000
35 15D-2 -3.87216 0.00000 0.00000 0.00000 2.71335
36 16D 0 0.00000 0.00000 -0.61500 0.00000 0.00000
37 16D+1 -0.10982 0.00000 0.00000 0.00000 -0.72952
38 16D-1 0.00000 -0.10982 0.00000 -0.72952 0.00000
39 16D+2 0.00000 -0.17668 0.00000 -1.14127 0.00000
40 16D-2 -0.17668 0.00000 0.00000 0.00000 -1.14127
41 17D 0 0.00000 0.00000 0.30627 0.00000 0.00000
42 17D+1 0.23751 0.00000 0.00000 0.00000 0.17046
43 17D-1 0.00000 0.23751 0.00000 0.17046 0.00000
44 17D+2 0.00000 0.28862 0.00000 0.28187 0.00000
45 17D-2 0.28862 0.00000 0.00000 0.00000 0.28187
46 18F 0 0.00000 0.00000 0.09102 0.00000 0.00000
47 18F+1 -0.03566 0.00000 0.00000 0.00000 0.05512
48 18F-1 0.00000 -0.03566 0.00000 0.05512 0.00000
49 18F+2 0.00000 0.27860 0.00000 -0.02171 0.00000
50 18F-2 0.27860 0.00000 0.00000 0.00000 -0.02171
51 18F+3 0.00000 0.00000 0.00000 0.00000 0.00000
52 18F-3 0.00000 0.00000 -0.27696 0.00000 0.00000
53 19F 0 0.00000 0.00000 0.65335 0.00000 0.00000
54 19F+1 -0.77089 0.00000 0.00000 0.00000 0.63536
55 19F-1 0.00000 -0.77089 0.00000 0.63536 0.00000
56 19F+2 0.00000 1.45820 0.00000 -1.16810 0.00000
57 19F-2 1.45820 0.00000 0.00000 0.00000 -1.16810
58 19F+3 0.00000 0.00000 0.00000 0.00000 0.00000
59 19F-3 0.00000 0.00000 -1.10056 0.00000 0.00000
60 20F 0 0.00000 0.00000 0.72335 0.00000 0.00000
61 20F+1 -0.38460 0.00000 0.00000 0.00000 -0.10643
62 20F-1 0.00000 -0.38460 0.00000 -0.10643 0.00000
63 20F+2 0.00000 0.38126 0.00000 0.28431 0.00000
64 20F-2 0.38126 0.00000 0.00000 0.00000 0.28431
65 20F+3 0.00000 0.00000 0.00000 0.00000 0.00000
66 20F-3 0.00000 0.00000 -1.17274 0.00000 0.00000
67 21G 0 0.00000 0.00000 0.05979 0.00000 0.00000
68 21G+1 0.54308 0.00000 0.00000 0.00000 -0.38778
69 21G-1 0.00000 0.54308 0.00000 -0.38778 0.00000
70 21G+2 0.00000 -0.00797 0.00000 -0.06441 0.00000
71 21G-2 -0.00797 0.00000 0.00000 0.00000 -0.06441
72 21G+3 0.00000 0.00000 0.00000 0.00000 0.00000
73 21G-3 0.00000 0.00000 0.30637 0.00000 0.00000
74 21G+4 0.00000 0.71885 0.00000 -0.48445 0.00000
75 21G-4 -0.71885 0.00000 0.00000 0.00000 0.48445
76 22G 0 0.00000 0.00000 -0.03297 0.00000 0.00000
77 22G+1 0.60876 0.00000 0.00000 0.00000 -0.09498
78 22G-1 0.00000 0.60876 0.00000 -0.09498 0.00000
79 22G+2 0.00000 0.19367 0.00000 -0.04133 0.00000
80 22G-2 0.19367 0.00000 0.00000 0.00000 -0.04133
81 22G+3 0.00000 0.00000 0.00000 0.00000 0.00000
82 22G-3 0.00000 0.00000 0.74405 0.00000 0.00000
83 22G+4 0.00000 0.95054 0.00000 -0.14955 0.00000
84 22G-4 -0.95054 0.00000 0.00000 0.00000 0.14955
85 23H 0 0.00000 0.00000 -0.16742 0.00000 0.00000
86 23H+1 -0.05645 0.00000 0.00000 0.00000 0.01360
87 23H-1 0.00000 -0.05645 0.00000 0.01360 0.00000
88 23H+2 0.00000 -0.22296 0.00000 0.10572 0.00000
89 23H-2 -0.22296 0.00000 0.00000 0.00000 0.10572
90 23H+3 0.00000 0.00000 0.00000 0.00000 0.00000
91 23H-3 0.00000 0.00000 -0.05297 0.00000 0.00000
92 23H+4 0.00000 -0.56717 0.00000 0.15666 0.00000
93 23H-4 0.56717 0.00000 0.00000 0.00000 -0.15666
94 23H+5 -0.16511 0.00000 0.00000 0.00000 0.09165
95 23H-5 0.00000 0.16511 0.00000 -0.09165 0.00000
96 2 H 1S 0.00000 -0.18655 -0.26744 -0.11659 0.00000
97 2S 0.00000 1.36767 1.15812 0.01583 0.00000
98 3S 0.00000 -7.12570 -3.49117 2.80798 0.00000
99 4S 0.00000 -0.42133 -0.43097 1.45772 0.00000
100 5S 0.00000 -0.22672 -0.17395 -0.13109 0.00000
101 6PX 0.04796 0.00000 0.00000 0.00000 0.03596
102 6PY 0.00000 -0.17583 -0.28847 -0.29758 0.00000
103 6PZ 0.00000 0.04183 0.08530 0.12724 0.00000
104 7PX 0.06104 0.00000 0.00000 0.00000 -0.05126
105 7PY 0.00000 -0.35126 -0.13657 0.25883 0.00000
106 7PZ 0.00000 0.12633 0.02665 -0.11392 0.00000
107 8PX -0.49040 0.00000 0.00000 0.00000 0.08268
108 8PY 0.00000 3.76636 1.91374 -1.31973 0.00000
109 8PZ 0.00000 -1.15424 -0.50586 0.41876 0.00000
110 9PX 0.11172 0.00000 0.00000 0.00000 0.08476
111 9PY 0.00000 0.20357 0.36739 -0.43526 0.00000
112 9PZ 0.00000 0.10456 -0.21601 0.15323 0.00000
113 10D 0 0.00000 -0.40490 -0.38281 -0.11829 0.00000
114 10D+1 0.04210 0.00000 0.00000 0.00000 0.01353
115 10D-1 0.00000 -0.71107 -0.33601 -0.15023 0.00000
116 10D+2 0.00000 -0.97848 -0.70381 -0.23853 0.00000
117 10D-2 -0.46169 0.00000 0.00000 0.00000 0.05255
118 11D 0 0.00000 0.66420 0.54150 0.05388 0.00000
119 11D+1 -0.04833 0.00000 0.00000 0.00000 -0.02536
120 11D-1 0.00000 1.08798 0.47417 0.05745 0.00000
121 11D+2 0.00000 1.54119 0.98818 0.09324 0.00000
122 11D-2 0.64144 0.00000 0.00000 0.00000 -0.08203
123 12D 0 0.00000 -0.01039 0.05226 0.01994 0.00000
124 12D+1 -0.14355 0.00000 0.00000 0.00000 0.08759
125 12D-1 0.00000 -0.12751 0.15810 0.03857 0.00000
126 12D+2 0.00000 0.03379 0.20068 0.05149 0.00000
127 12D-2 -0.06537 0.00000 0.00000 0.00000 0.00060
128 13F 0 0.00000 0.09939 -0.00156 -0.08700 0.00000
129 13F+1 0.02143 0.00000 0.00000 0.00000 -0.00739
130 13F-1 0.00000 -0.11921 -0.01730 0.07612 0.00000
131 13F+2 0.00000 0.13931 0.01892 -0.11623 0.00000
132 13F-2 -0.02833 0.00000 0.00000 0.00000 0.02103
133 13F+3 0.03649 0.00000 0.00000 0.00000 -0.00685
134 13F-3 0.00000 -0.14481 -0.00530 0.14781 0.00000
135 14F 0 0.00000 0.04921 0.13520 0.18545 0.00000
136 14F+1 0.01831 0.00000 0.00000 0.00000 -0.00195
137 14F-1 0.00000 0.03810 -0.13750 -0.17034 0.00000
138 14F+2 0.00000 0.08113 0.14482 0.24495 0.00000
139 14F-2 0.12000 0.00000 0.00000 0.00000 -0.04535
140 14F+3 0.17143 0.00000 0.00000 0.00000 -0.04682
141 14F-3 0.00000 -0.14396 -0.26593 -0.31967 0.00000
142 15G 0 0.00000 0.04542 -0.02624 -0.03801 0.00000
143 15G+1 0.03469 0.00000 0.00000 0.00000 -0.00207
144 15G-1 0.00000 -0.05437 -0.13053 -0.21421 0.00000
145 15G+2 0.00000 0.01972 -0.07295 -0.08380 0.00000
146 15G-2 -0.02585 0.00000 0.00000 0.00000 0.02280
147 15G+3 0.09087 0.00000 0.00000 0.00000 -0.01040
148 15G-3 0.00000 -0.08906 -0.09793 -0.20969 0.00000
149 15G+4 0.00000 -0.11376 -0.18280 -0.22813 0.00000
150 15G-4 -0.15260 0.00000 0.00000 0.00000 0.04728
151 3 H 1S -0.16156 0.09328 -0.26744 0.05829 -0.10097
152 2S 1.18444 -0.68384 1.15812 -0.00791 0.01371
153 3S -6.17104 3.56285 -3.49117 -1.40399 2.43179
154 4S -0.36489 0.21067 -0.43097 -0.72886 1.26242
155 5S -0.19635 0.11336 -0.17395 0.06554 -0.11353
156 6PX -0.11988 0.09690 -0.24983 0.14442 -0.21419
157 6PY 0.09690 -0.00799 0.14424 -0.04743 0.14442
158 6PZ 0.03623 -0.02092 0.08530 -0.06362 0.11019
159 7PX -0.24819 0.17853 -0.11827 -0.13427 0.18131
160 7PY 0.17853 -0.04204 0.06829 0.02627 -0.13427
161 7PZ 0.10940 -0.06316 0.02665 0.05696 -0.09866
162 8PX 2.70217 -1.84323 1.65735 0.60726 -0.96913
163 8PY -1.84323 0.57379 -0.95687 -0.26792 0.60726
164 8PZ -0.99960 0.57712 -0.50586 -0.20938 0.36265
165 9PX 0.18061 -0.03977 0.31817 0.22517 -0.30526
166 9PY -0.03977 0.13468 -0.18369 -0.04525 0.22517
167 9PZ 0.09055 -0.05228 -0.21601 -0.07661 0.13270
168 10D 0 -0.35065 0.20245 -0.38281 0.05914 -0.10244
169 10D+1 -0.52278 0.32613 -0.29099 0.07091 -0.10929
170 10D-1 0.32613 -0.14620 0.16801 -0.02741 0.07091
171 10D+2 0.22377 -0.59089 0.35190 -0.02022 0.12604
172 10D-2 -0.84928 0.22377 -0.60951 0.12604 -0.16576
173 11D 0 0.57522 -0.33210 0.54150 -0.02694 0.04666
174 11D+1 0.80391 -0.49204 0.41064 -0.03586 0.03674
175 11D-1 -0.49204 0.23575 -0.23708 -0.00466 -0.03586
176 11D+2 -0.38960 0.86638 -0.49409 -0.03821 -0.07589
177 11D-2 1.31625 -0.38960 0.85579 -0.07589 0.04942
178 12D 0 -0.00900 0.00520 0.05226 -0.00997 0.01727
179 12D+1 -0.13152 -0.00694 0.13692 0.02123 0.05083
180 12D-1 -0.00694 -0.13954 -0.07905 0.07534 0.02123
181 12D+2 -0.04294 -0.04058 -0.10034 0.01332 -0.02204
182 12D-2 0.00900 -0.04294 0.17379 -0.02204 0.03877
183 13F 0 0.08608 -0.04970 -0.00156 0.04350 -0.07534
184 13F+1 -0.08405 0.06090 -0.01498 -0.03616 0.05524
185 13F-1 0.06090 -0.01373 0.00865 0.01349 -0.03616
186 13F+2 -0.07259 0.01358 -0.00946 -0.01328 0.05944
187 13F-2 0.09740 -0.07259 0.01639 0.05944 -0.08192
188 13F+3 -0.01824 -0.03160 0.00000 0.00593 0.00343
189 13F-3 -0.12541 0.07240 -0.00530 -0.07391 0.12801
190 14F 0 0.04261 -0.02460 0.13520 -0.09272 0.16060
191 14F+1 0.03315 -0.00857 -0.11908 0.07291 -0.12824
192 14F-1 -0.00857 0.02326 0.06875 -0.04405 0.07291
193 14F+2 0.01683 0.11028 -0.07241 0.02723 -0.12570
194 14F-2 0.09085 0.01683 0.12542 -0.12570 0.17238
195 14F+3 -0.08571 -0.14846 0.00000 0.04055 0.02341
196 14F-3 -0.12468 0.07198 -0.26593 0.15983 -0.27684
197 15G 0 0.03934 -0.02271 -0.02624 0.01900 -0.03291
198 15G+1 -0.03210 0.03856 -0.11304 0.09186 -0.16117
199 15G-1 0.03856 0.01243 0.06526 -0.05510 0.09186
200 15G+2 -0.01973 -0.01446 0.03647 -0.00385 0.04616
201 15G-2 0.00833 -0.01973 -0.06317 0.04616 -0.05715
202 15G+3 -0.04544 -0.07870 0.00000 0.00900 0.00520
203 15G-3 -0.07713 0.04453 -0.09793 0.10485 -0.18160
204 15G+4 0.11534 0.08601 0.09140 -0.09249 0.07831
205 15G-4 0.04717 -0.11534 0.15831 -0.07831 0.18292
206 4 H 1S 0.16156 0.09328 -0.26744 0.05829 0.10097
207 2S -1.18444 -0.68384 1.15812 -0.00791 -0.01371
208 3S 6.17104 3.56285 -3.49117 -1.40399 -2.43179
209 4S 0.36489 0.21067 -0.43097 -0.72886 -1.26242
210 5S 0.19635 0.11336 -0.17395 0.06554 0.11353
211 6PX -0.11988 -0.09690 0.24983 -0.14442 -0.21419
212 6PY -0.09690 -0.00799 0.14424 -0.04743 -0.14442
213 6PZ -0.03623 -0.02092 0.08530 -0.06362 -0.11019
214 7PX -0.24819 -0.17853 0.11827 0.13427 0.18131
215 7PY -0.17853 -0.04204 0.06829 0.02627 0.13427
216 7PZ -0.10940 -0.06316 0.02665 0.05696 0.09866
217 8PX 2.70217 1.84323 -1.65735 -0.60726 -0.96913
218 8PY 1.84323 0.57379 -0.95687 -0.26792 -0.60726
219 8PZ 0.99960 0.57712 -0.50586 -0.20938 -0.36265
220 9PX 0.18061 0.03977 -0.31817 -0.22517 -0.30526
221 9PY 0.03977 0.13468 -0.18369 -0.04525 -0.22517
222 9PZ -0.09055 -0.05228 -0.21601 -0.07661 -0.13270
223 10D 0 0.35065 0.20245 -0.38281 0.05914 0.10244
224 10D+1 -0.52278 -0.32613 0.29099 -0.07091 -0.10929
225 10D-1 -0.32613 -0.14620 0.16801 -0.02741 -0.07091
226 10D+2 -0.22377 -0.59089 0.35190 -0.02022 -0.12604
227 10D-2 -0.84928 -0.22377 0.60951 -0.12604 -0.16576
228 11D 0 -0.57522 -0.33210 0.54150 -0.02694 -0.04666
229 11D+1 0.80391 0.49204 -0.41064 0.03586 0.03674
230 11D-1 0.49204 0.23575 -0.23708 -0.00466 0.03586
231 11D+2 0.38960 0.86638 -0.49409 -0.03821 0.07589
232 11D-2 1.31625 0.38960 -0.85579 0.07589 0.04942
233 12D 0 0.00900 0.00520 0.05226 -0.00997 -0.01727
234 12D+1 -0.13152 0.00694 -0.13692 -0.02123 0.05083
235 12D-1 0.00694 -0.13954 -0.07905 0.07534 -0.02123
236 12D+2 0.04294 -0.04058 -0.10034 0.01332 0.02204
237 12D-2 0.00900 0.04294 -0.17379 0.02204 0.03877
238 13F 0 -0.08608 -0.04970 -0.00156 0.04350 0.07534
239 13F+1 -0.08405 -0.06090 0.01498 0.03616 0.05524
240 13F-1 -0.06090 -0.01373 0.00865 0.01349 0.03616
241 13F+2 0.07259 0.01358 -0.00946 -0.01328 -0.05944
242 13F-2 0.09740 0.07259 -0.01639 -0.05944 -0.08192
243 13F+3 -0.01824 0.03160 0.00000 -0.00593 0.00343
244 13F-3 0.12541 0.07240 -0.00530 -0.07391 -0.12801
245 14F 0 -0.04261 -0.02460 0.13520 -0.09272 -0.16060
246 14F+1 0.03315 0.00857 0.11908 -0.07291 -0.12824
247 14F-1 0.00857 0.02326 0.06875 -0.04405 -0.07291
248 14F+2 -0.01683 0.11028 -0.07241 0.02723 0.12570
249 14F-2 0.09085 -0.01683 -0.12542 0.12570 0.17238
250 14F+3 -0.08571 0.14846 0.00000 -0.04055 0.02341
251 14F-3 0.12468 0.07198 -0.26593 0.15983 0.27684
252 15G 0 -0.03934 -0.02271 -0.02624 0.01900 0.03291
253 15G+1 -0.03210 -0.03856 0.11304 -0.09186 -0.16117
254 15G-1 -0.03856 0.01243 0.06526 -0.05510 -0.09186
255 15G+2 0.01973 -0.01446 0.03647 -0.00385 -0.04616
256 15G-2 0.00833 0.01973 0.06317 -0.04616 -0.05715
257 15G+3 -0.04544 0.07870 0.00000 -0.00900 0.00520
258 15G-3 0.07713 0.04453 -0.09793 0.10485 0.18160
259 15G+4 -0.11534 0.08601 0.09140 -0.09249 -0.07831
260 15G-4 0.04717 0.11534 -0.15831 0.07831 0.18292
251 252 253 254 255
(A1)--V (E)--V (E)--V (E)--V (E)--V
Eigenvalues -- 17.37631 17.44526 17.44526 17.57616 17.57616
1 1 Si 1S 0.00525 0.00000 0.00000 0.00000 0.00000
2 2S 0.01874 0.00000 0.00000 0.00000 0.00000
3 3S 0.07287 0.00000 0.00000 0.00000 0.00000
4 4S 0.23813 0.00000 0.00000 0.00000 0.00000
5 5S -0.65103 0.00000 0.00000 0.00000 0.00000
6 6S 0.99271 0.00000 0.00000 0.00000 0.00000
7 7S -0.11236 0.00000 0.00000 0.00000 0.00000
8 8PX 0.00000 -0.02250 0.00000 -0.06911 0.00000
9 8PY 0.00000 0.00000 -0.02250 0.00000 -0.06911
10 8PZ -0.27543 0.00000 0.00000 0.00000 0.00000
11 9PX 0.00000 -0.06646 0.00000 -0.11257 0.00000
12 9PY 0.00000 0.00000 -0.06646 0.00000 -0.11257
13 9PZ -0.56459 0.00000 0.00000 0.00000 0.00000
14 10PX 0.00000 -0.32878 0.00000 0.18177 0.00000
15 10PY 0.00000 0.00000 -0.32878 0.00000 0.18177
16 10PZ -1.03795 0.00000 0.00000 0.00000 0.00000
17 11PX 0.00000 1.03343 0.00000 -1.38256 0.00000
18 11PY 0.00000 0.00000 1.03343 0.00000 -1.38256
19 11PZ 1.82111 0.00000 0.00000 0.00000 0.00000
20 12PX 0.00000 0.90570 0.00000 -1.44302 0.00000
21 12PY 0.00000 0.00000 0.90570 0.00000 -1.44302
22 12PZ 0.36065 0.00000 0.00000 0.00000 0.00000
23 13PX 0.00000 0.04457 0.00000 -0.00674 0.00000
24 13PY 0.00000 0.00000 0.04457 0.00000 -0.00674
25 13PZ -0.05593 0.00000 0.00000 0.00000 0.00000
26 14D 0 -0.08189 0.00000 0.00000 0.00000 0.00000
27 14D+1 0.00000 -0.24764 0.00000 0.19159 0.00000
28 14D-1 0.00000 0.00000 -0.24764 0.00000 0.19159
29 14D+2 0.00000 0.00000 -0.28415 0.00000 0.37062
30 14D-2 0.00000 -0.28415 0.00000 0.37062 0.00000
31 15D 0 -1.40084 0.00000 0.00000 0.00000 0.00000
32 15D+1 0.00000 -1.60592 0.00000 -0.88149 0.00000
33 15D-1 0.00000 0.00000 -1.60592 0.00000 -0.88149
34 15D+2 0.00000 0.00000 1.82921 0.00000 -0.93646
35 15D-2 0.00000 1.82921 0.00000 -0.93646 0.00000
36 16D 0 0.20476 0.00000 0.00000 0.00000 0.00000
37 16D+1 0.00000 0.06795 0.00000 0.30384 0.00000
38 16D-1 0.00000 0.00000 0.06795 0.00000 0.30384
39 16D+2 0.00000 0.00000 -0.30776 0.00000 0.38963
40 16D-2 0.00000 -0.30776 0.00000 0.38963 0.00000
41 17D 0 -0.00888 0.00000 0.00000 0.00000 0.00000
42 17D+1 0.00000 0.04791 0.00000 -0.05856 0.00000
43 17D-1 0.00000 0.00000 0.04791 0.00000 -0.05856
44 17D+2 0.00000 0.00000 0.01575 0.00000 -0.07358
45 17D-2 0.00000 0.01575 0.00000 -0.07358 0.00000
46 18F 0 0.00705 0.00000 0.00000 0.00000 0.00000
47 18F+1 0.00000 -0.04635 0.00000 0.10204 0.00000
48 18F-1 0.00000 0.00000 -0.04635 0.00000 0.10204
49 18F+2 0.00000 0.00000 0.17987 0.00000 -0.12665
50 18F-2 0.00000 0.17987 0.00000 -0.12665 0.00000
51 18F+3 0.00000 0.00000 0.00000 0.00000 0.00000
52 18F-3 -0.00340 0.00000 0.00000 0.00000 0.00000
53 19F 0 -0.58224 0.00000 0.00000 0.00000 0.00000
54 19F+1 0.00000 0.63586 0.00000 0.95794 0.00000
55 19F-1 0.00000 0.00000 0.63586 0.00000 0.95794
56 19F+2 0.00000 0.00000 -0.05327 0.00000 1.40746
57 19F-2 0.00000 -0.05327 0.00000 1.40746 0.00000
58 19F+3 0.00000 0.00000 0.00000 0.00000 0.00000
59 19F-3 -0.63573 0.00000 0.00000 0.00000 0.00000
60 20F 0 -0.13156 0.00000 0.00000 0.00000 0.00000
61 20F+1 0.00000 0.00607 0.00000 0.13357 0.00000
62 20F-1 0.00000 0.00000 0.00607 0.00000 0.13357
63 20F+2 0.00000 0.00000 0.05052 0.00000 -0.05686
64 20F-2 0.00000 0.05052 0.00000 -0.05686 0.00000
65 20F+3 0.00000 0.00000 0.00000 0.00000 0.00000
66 20F-3 0.02970 0.00000 0.00000 0.00000 0.00000
67 21G 0 0.48162 0.00000 0.00000 0.00000 0.00000
68 21G+1 0.00000 0.15507 0.00000 0.05498 0.00000
69 21G-1 0.00000 0.00000 0.15507 0.00000 0.05498
70 21G+2 0.00000 0.00000 -0.44214 0.00000 -0.37449
71 21G-2 0.00000 -0.44214 0.00000 -0.37449 0.00000
72 21G+3 0.00000 0.00000 0.00000 0.00000 0.00000
73 21G-3 -0.32641 0.00000 0.00000 0.00000 0.00000
74 21G+4 0.00000 0.00000 0.38912 0.00000 -0.58937
75 21G-4 0.00000 -0.38912 0.00000 0.58937 0.00000
76 22G 0 0.35066 0.00000 0.00000 0.00000 0.00000
77 22G+1 0.00000 0.14190 0.00000 0.00027 0.00000
78 22G-1 0.00000 0.00000 0.14190 0.00000 0.00027
79 22G+2 0.00000 0.00000 -0.23451 0.00000 -0.16827
80 22G-2 0.00000 -0.23451 0.00000 -0.16827 0.00000
81 22G+3 0.00000 0.00000 0.00000 0.00000 0.00000
82 22G-3 -0.26935 0.00000 0.00000 0.00000 0.00000
83 22G+4 0.00000 0.00000 0.27213 0.00000 -0.32022
84 22G-4 0.00000 -0.27213 0.00000 0.32022 0.00000
85 23H 0 -0.03301 0.00000 0.00000 0.00000 0.00000
86 23H+1 0.00000 -0.19375 0.00000 -0.22368 0.00000
87 23H-1 0.00000 0.00000 -0.19375 0.00000 -0.22368
88 23H+2 0.00000 0.00000 0.11366 0.00000 -0.10247
89 23H-2 0.00000 0.11366 0.00000 -0.10247 0.00000
90 23H+3 0.00000 0.00000 0.00000 0.00000 0.00000
91 23H-3 0.36981 0.00000 0.00000 0.00000 0.00000
92 23H+4 0.00000 0.00000 -0.30624 0.00000 0.11853
93 23H-4 0.00000 0.30624 0.00000 -0.11853 0.00000
94 23H+5 0.00000 0.31825 0.00000 -0.13897 0.00000
95 23H-5 0.00000 0.00000 -0.31825 0.00000 0.13897
96 2 H 1S -0.00073 0.00000 -0.00871 0.00000 0.02631
97 2S -0.02597 0.00000 0.06421 0.00000 -0.08603
98 3S 0.04927 0.00000 -0.10839 0.00000 -0.18887
99 4S -0.26467 0.00000 -0.85791 0.00000 1.45568
100 5S 0.02980 0.00000 -0.03741 0.00000 -0.02077
101 6PX 0.00000 -1.17003 0.00000 1.00290 0.00000
102 6PY -0.34480 0.00000 0.33118 0.00000 0.22538
103 6PZ -1.02220 0.00000 0.94708 0.00000 1.17035
104 7PX 0.00000 1.58892 0.00000 -1.39027 0.00000
105 7PY 0.47490 0.00000 -0.47142 0.00000 -0.28970
106 7PZ 1.36061 0.00000 -1.26727 0.00000 -1.61990
107 8PX 0.00000 -1.71104 0.00000 1.51310 0.00000
108 8PY -0.52392 0.00000 0.54526 0.00000 0.41303
109 8PZ -1.36115 0.00000 1.28458 0.00000 1.66336
110 9PX 0.00000 -0.29996 0.00000 0.33434 0.00000
111 9PY 0.03098 0.00000 0.35669 0.00000 -0.38566
112 9PZ -0.30285 0.00000 0.26277 0.00000 0.55121
113 10D 0 0.03305 0.00000 -0.03541 0.00000 -0.01565
114 10D+1 0.00000 0.00318 0.00000 -0.02074 0.00000
115 10D-1 -0.04559 0.00000 0.00117 0.00000 0.04698
116 10D+2 0.04546 0.00000 -0.02801 0.00000 0.01466
117 10D-2 0.00000 -0.07949 0.00000 0.04780 0.00000
118 11D 0 -0.03530 0.00000 0.04444 0.00000 -0.00021
119 11D+1 0.00000 0.00983 0.00000 0.02413 0.00000
120 11D-1 0.03554 0.00000 0.03329 0.00000 -0.00097
121 11D+2 -0.07164 0.00000 0.03013 0.00000 -0.01095
122 11D-2 0.00000 0.10276 0.00000 -0.03276 0.00000
123 12D 0 -0.40092 0.00000 0.38585 0.00000 0.39912
124 12D+1 0.00000 -0.37057 0.00000 0.21735 0.00000
125 12D-1 0.59590 0.00000 -0.60904 0.00000 -0.88803
126 12D+2 -0.23294 0.00000 0.37041 0.00000 0.00835
127 12D-2 0.00000 0.85248 0.00000 -0.79134 0.00000
128 13F 0 -0.03669 0.00000 0.04374 0.00000 0.04385
129 13F+1 0.00000 -0.02230 0.00000 0.00347 0.00000
130 13F-1 -0.09747 0.00000 0.08638 0.00000 0.07601
131 13F+2 -0.06150 0.00000 0.05306 0.00000 0.11838
132 13F-2 0.00000 -0.06779 0.00000 0.03586 0.00000
133 13F+3 0.00000 -0.11831 0.00000 0.10965 0.00000
134 13F-3 -0.02606 0.00000 0.04852 0.00000 0.00388
135 14F 0 0.10183 0.00000 -0.08918 0.00000 -0.15371
136 14F+1 0.00000 0.06021 0.00000 -0.02598 0.00000
137 14F-1 0.28070 0.00000 -0.25831 0.00000 -0.21787
138 14F+2 0.17981 0.00000 -0.14085 0.00000 -0.30376
139 14F-2 0.00000 0.21709 0.00000 -0.13443 0.00000
140 14F+3 0.00000 0.37551 0.00000 -0.31296 0.00000
141 14F-3 0.11964 0.00000 -0.15994 0.00000 0.03093
142 15G 0 0.04804 0.00000 -0.03485 0.00000 -0.05344
143 15G+1 0.00000 0.01828 0.00000 -0.01322 0.00000
144 15G-1 -0.01912 0.00000 -0.00195 0.00000 0.04342
145 15G+2 0.07021 0.00000 -0.05970 0.00000 -0.04319
146 15G-2 0.00000 -0.01176 0.00000 0.00009 0.00000
147 15G+3 0.00000 0.07378 0.00000 -0.04564 0.00000
148 15G-3 -0.04016 0.00000 0.02144 0.00000 0.05636
149 15G+4 0.04134 0.00000 -0.04355 0.00000 0.03261
150 15G-4 0.00000 -0.08549 0.00000 0.06487 0.00000
151 3 H 1S -0.00073 -0.00755 0.00436 0.02278 -0.01315
152 2S -0.02597 0.05561 -0.03211 -0.07451 0.04302
153 3S 0.04927 -0.09387 0.05420 -0.16357 0.09444
154 4S -0.26467 -0.74297 0.42895 1.26066 -0.72784
155 5S 0.02980 -0.03240 0.01870 -0.01799 0.01039
156 6PX -0.29861 -0.04412 -0.65004 0.41976 0.33668
157 6PY 0.17240 -0.65004 -0.79473 0.33668 0.80852
158 6PZ -1.02220 0.82020 -0.47354 1.01355 -0.58518
159 7PX 0.41127 0.04367 0.89215 -0.56485 -0.47656
160 7PY -0.23745 0.89215 1.07384 -0.47656 -1.11513
161 7PZ 1.36061 -1.09749 0.63363 -1.40288 0.80995
162 8PX -0.45373 -0.01882 -0.97700 0.68805 0.47634
163 8PY 0.26196 -0.97700 -1.14696 0.47634 1.23808
164 8PZ -1.36115 1.11248 -0.64229 1.44051 -0.83168
165 9PX 0.02683 0.19253 -0.28434 -0.20566 0.31177
166 9PY -0.01549 -0.28434 -0.13580 0.31177 0.15434
167 9PZ -0.30285 0.22756 -0.13138 0.47737 -0.27561
168 10D 0 0.03305 -0.03067 0.01771 -0.01355 0.00782
169 10D+1 -0.03948 0.00167 0.00087 0.03005 -0.02932
170 10D-1 0.02280 0.00087 0.00268 -0.02932 -0.00381
171 10D+2 -0.02273 -0.02229 -0.06662 0.01435 0.03952
172 10D-2 0.03937 -0.04088 -0.02229 0.02295 0.01435
173 11D 0 -0.03530 0.03849 -0.02222 -0.00018 0.00010
174 11D+1 0.03078 0.02742 -0.01016 0.00530 0.01087
175 11D-1 -0.01777 -0.01016 0.01569 0.01087 0.01785
176 11D+2 0.03582 0.03145 0.08461 -0.00945 -0.02731
177 11D-2 -0.06204 0.04829 0.03145 -0.01640 -0.00945
178 12D 0 -0.40092 0.33416 -0.19293 0.34565 -0.19956
179 12D+1 0.51606 -0.54942 0.10326 -0.61169 0.47865
180 12D-1 -0.29795 0.10326 -0.43019 0.47865 -0.05900
181 12D+2 0.11647 0.20874 0.73196 -0.34627 -0.59142
182 12D-2 -0.20173 0.49093 0.20874 -0.19157 -0.34627
183 13F 0 -0.03669 0.03788 -0.02187 0.03797 -0.02192
184 13F+1 -0.08441 0.05921 -0.04706 0.05787 -0.03141
185 13F-1 0.04874 -0.04706 0.00487 -0.03141 0.02161
186 13F+2 0.03075 -0.05233 -0.03758 -0.03573 0.05649
187 13F-2 -0.05326 0.02285 -0.05233 0.09775 -0.03573
188 13F+3 0.00000 0.05915 0.10246 -0.05483 -0.09496
189 13F-3 -0.02606 0.04202 -0.02426 0.00336 -0.00194
190 14F 0 0.10183 -0.07723 0.04459 -0.13312 0.07686
191 14F+1 0.24309 -0.17868 0.13792 -0.16990 0.08309
192 14F-1 -0.14035 0.13792 -0.01942 0.08309 -0.07395
193 14F+2 -0.08990 0.15499 0.12761 0.07332 -0.17677
194 14F-2 0.15572 -0.05136 0.15499 -0.26143 0.07332
195 14F+3 0.00000 -0.18776 -0.32520 0.15648 0.27104
196 14F-3 0.11964 -0.13851 0.07997 0.02679 -0.01547
197 15G 0 0.04804 -0.03018 0.01743 -0.04628 0.02672
198 15G+1 -0.01656 0.00311 0.00876 0.02926 -0.02453
199 15G-1 0.00956 0.00876 0.01322 -0.02453 0.00094
200 15G+2 -0.03510 0.02076 -0.02375 0.01874 -0.01073
201 15G-2 0.06080 -0.04772 0.02076 -0.03237 0.01874
202 15G+3 0.00000 -0.03689 -0.06390 0.02282 0.03953
203 15G-3 -0.04016 0.01857 -0.01072 0.04881 -0.02818
204 15G+4 -0.02067 0.05588 0.05323 -0.04221 -0.04050
205 15G-4 -0.03580 0.01129 -0.05588 -0.00824 0.04221
206 4 H 1S -0.00073 0.00755 0.00436 -0.02278 -0.01315
207 2S -0.02597 -0.05561 -0.03211 0.07451 0.04302
208 3S 0.04927 0.09387 0.05420 0.16357 0.09444
209 4S -0.26467 0.74297 0.42895 -1.26066 -0.72784
210 5S 0.02980 0.03240 0.01870 0.01799 0.01039
211 6PX 0.29861 -0.04412 0.65004 0.41976 -0.33668
212 6PY 0.17240 0.65004 -0.79473 -0.33668 0.80852
213 6PZ -1.02220 -0.82020 -0.47354 -1.01355 -0.58518
214 7PX -0.41127 0.04367 -0.89215 -0.56485 0.47656
215 7PY -0.23745 -0.89215 1.07384 0.47656 -1.11513
216 7PZ 1.36061 1.09749 0.63363 1.40288 0.80995
217 8PX 0.45373 -0.01882 0.97700 0.68805 -0.47634
218 8PY 0.26196 0.97700 -1.14696 -0.47634 1.23808
219 8PZ -1.36115 -1.11248 -0.64229 -1.44051 -0.83168
220 9PX -0.02683 0.19253 0.28434 -0.20566 -0.31177
221 9PY -0.01549 0.28434 -0.13580 -0.31177 0.15434
222 9PZ -0.30285 -0.22756 -0.13138 -0.47737 -0.27561
223 10D 0 0.03305 0.03067 0.01771 0.01355 0.00782
224 10D+1 0.03948 0.00167 -0.00087 0.03005 0.02932
225 10D-1 0.02280 -0.00087 0.00268 0.02932 -0.00381
226 10D+2 -0.02273 0.02229 -0.06662 -0.01435 0.03952
227 10D-2 -0.03937 -0.04088 0.02229 0.02295 -0.01435
228 11D 0 -0.03530 -0.03849 -0.02222 0.00018 0.00010
229 11D+1 -0.03078 0.02742 0.01016 0.00530 -0.01087
230 11D-1 -0.01777 0.01016 0.01569 -0.01087 0.01785
231 11D+2 0.03582 -0.03145 0.08461 0.00945 -0.02731
232 11D-2 0.06204 0.04829 -0.03145 -0.01640 0.00945
233 12D 0 -0.40092 -0.33416 -0.19293 -0.34565 -0.19956
234 12D+1 -0.51606 -0.54942 -0.10326 -0.61169 -0.47865
235 12D-1 -0.29795 -0.10326 -0.43019 -0.47865 -0.05900
236 12D+2 0.11647 -0.20874 0.73196 0.34627 -0.59142
237 12D-2 0.20173 0.49093 -0.20874 -0.19157 0.34627
238 13F 0 -0.03669 -0.03788 -0.02187 -0.03797 -0.02192
239 13F+1 0.08441 0.05921 0.04706 0.05787 0.03141
240 13F-1 0.04874 0.04706 0.00487 0.03141 0.02161
241 13F+2 0.03075 0.05233 -0.03758 0.03573 0.05649
242 13F-2 0.05326 0.02285 0.05233 0.09775 0.03573
243 13F+3 0.00000 0.05915 -0.10246 -0.05483 0.09496
244 13F-3 -0.02606 -0.04202 -0.02426 -0.00336 -0.00194
245 14F 0 0.10183 0.07723 0.04459 0.13312 0.07686
246 14F+1 -0.24309 -0.17868 -0.13792 -0.16990 -0.08309
247 14F-1 -0.14035 -0.13792 -0.01942 -0.08309 -0.07395
248 14F+2 -0.08990 -0.15499 0.12761 -0.07332 -0.17677
249 14F-2 -0.15572 -0.05136 -0.15499 -0.26143 -0.07332
250 14F+3 0.00000 -0.18776 0.32520 0.15648 -0.27104
251 14F-3 0.11964 0.13851 0.07997 -0.02679 -0.01547
252 15G 0 0.04804 0.03018 0.01743 0.04628 0.02672
253 15G+1 0.01656 0.00311 -0.00876 0.02926 0.02453
254 15G-1 0.00956 -0.00876 0.01322 0.02453 0.00094
255 15G+2 -0.03510 -0.02076 -0.02375 -0.01874 -0.01073
256 15G-2 -0.06080 -0.04772 -0.02076 -0.03237 -0.01874
257 15G+3 0.00000 -0.03689 0.06390 0.02282 -0.03953
258 15G-3 -0.04016 -0.01857 -0.01072 -0.04881 -0.02818
259 15G+4 -0.02067 -0.05588 0.05323 0.04221 -0.04050
260 15G-4 0.03580 0.01129 0.05588 -0.00824 -0.04221
256 257 258 259 260
(A2)--V (A1)--V (E)--V (E)--V (A1)--V
Eigenvalues -- 17.85363 18.35694 18.49610 18.49610 45.51639
1 1 Si 1S 0.00000 0.01021 0.00000 0.00000 1.89031
2 2S 0.00000 0.17365 0.00000 0.00000 6.97529
3 3S 0.00000 -0.70499 0.00000 0.00000 16.22976
4 4S 0.00000 -4.81907 0.00000 0.00000 17.79152
5 5S 0.00000 6.95381 0.00000 0.00000 -11.16546
6 6S 0.00000 9.11748 0.00000 0.00000 -11.47391
7 7S 0.00000 -0.08440 0.00000 0.00000 0.51218
8 8PX 0.00000 0.00000 0.00000 0.21169 0.00000
9 8PY 0.00000 0.00000 0.21169 0.00000 0.00000
10 8PZ 0.00000 -0.16656 0.00000 0.00000 -0.25438
11 9PX 0.00000 0.00000 0.00000 0.35628 0.00000
12 9PY 0.00000 0.00000 0.35628 0.00000 0.00000
13 9PZ 0.00000 -0.28937 0.00000 0.00000 -0.63967
14 10PX 0.00000 0.00000 0.00000 -0.86875 0.00000
15 10PY 0.00000 0.00000 -0.86875 0.00000 0.00000
16 10PZ 0.00000 0.32979 0.00000 0.00000 -1.75347
17 11PX 0.00000 0.00000 0.00000 6.66570 0.00000
18 11PY 0.00000 0.00000 6.66570 0.00000 0.00000
19 11PZ 0.00000 -3.19941 0.00000 0.00000 4.28230
20 12PX 0.00000 0.00000 0.00000 3.96064 0.00000
21 12PY 0.00000 0.00000 3.96064 0.00000 0.00000
22 12PZ 0.00000 -1.58995 0.00000 0.00000 1.97225
23 13PX 0.00000 0.00000 0.00000 -0.09923 0.00000
24 13PY 0.00000 0.00000 -0.09923 0.00000 0.00000
25 13PZ 0.00000 0.08223 0.00000 0.00000 -0.23813
26 14D 0 0.00000 -0.47402 0.00000 0.00000 0.41285
27 14D+1 0.00000 0.00000 0.00000 -0.65288 0.00000
28 14D-1 0.00000 0.00000 -0.65288 0.00000 0.00000
29 14D+2 0.00000 0.00000 -1.02280 0.00000 0.00000
30 14D-2 0.00000 0.00000 0.00000 -1.02280 0.00000
31 15D 0 0.00000 -2.19466 0.00000 0.00000 4.41002
32 15D+1 0.00000 0.00000 0.00000 -2.34993 0.00000
33 15D-1 0.00000 0.00000 -2.34993 0.00000 0.00000
34 15D+2 0.00000 0.00000 -3.74942 0.00000 0.00000
35 15D-2 0.00000 0.00000 0.00000 -3.74942 0.00000
36 16D 0 0.00000 -0.72793 0.00000 0.00000 -0.18298
37 16D+1 0.00000 0.00000 0.00000 -0.58554 0.00000
38 16D-1 0.00000 0.00000 -0.58554 0.00000 0.00000
39 16D+2 0.00000 0.00000 -0.87791 0.00000 0.00000
40 16D-2 0.00000 0.00000 0.00000 -0.87791 0.00000
41 17D 0 0.00000 0.27202 0.00000 0.00000 -0.09589
42 17D+1 0.00000 0.00000 0.00000 0.22474 0.00000
43 17D-1 0.00000 0.00000 0.22474 0.00000 0.00000
44 17D+2 0.00000 0.00000 0.33944 0.00000 0.00000
45 17D-2 0.00000 0.00000 0.00000 0.33944 0.00000
46 18F 0 0.00000 0.19754 0.00000 0.00000 -0.03108
47 18F+1 0.00000 0.00000 0.00000 -0.09825 0.00000
48 18F-1 0.00000 0.00000 -0.09825 0.00000 0.00000
49 18F+2 0.00000 0.00000 0.30940 0.00000 0.00000
50 18F-2 0.00000 0.00000 0.00000 0.30940 0.00000
51 18F+3 0.44140 0.00000 0.00000 0.00000 0.00000
52 18F-3 0.00000 -0.35302 0.00000 0.00000 0.10302
53 19F 0 0.00000 0.67043 0.00000 0.00000 -1.96114
54 19F+1 0.00000 0.00000 0.00000 -0.22200 0.00000
55 19F-1 0.00000 0.00000 -0.22200 0.00000 0.00000
56 19F+2 0.00000 0.00000 0.98524 0.00000 0.00000
57 19F-2 0.00000 0.00000 0.00000 0.98524 0.00000
58 19F+3 2.61339 0.00000 0.00000 0.00000 0.00000
59 19F-3 0.00000 -1.23406 0.00000 0.00000 3.87983
60 20F 0 0.00000 0.72975 0.00000 0.00000 -0.47179
61 20F+1 0.00000 0.00000 0.00000 -0.36527 0.00000
62 20F-1 0.00000 0.00000 -0.36527 0.00000 0.00000
63 20F+2 0.00000 0.00000 0.59740 0.00000 0.00000
64 20F-2 0.00000 0.00000 0.00000 0.59740 0.00000
65 20F+3 0.00881 0.00000 0.00000 0.00000 0.00000
66 20F-3 0.00000 -1.24195 0.00000 0.00000 0.74870
67 21G 0 0.00000 0.03263 0.00000 0.00000 -0.23255
68 21G+1 0.00000 0.00000 0.00000 0.17120 0.00000
69 21G-1 0.00000 0.00000 0.17120 0.00000 0.00000
70 21G+2 0.00000 0.00000 -0.04956 0.00000 0.00000
71 21G-2 0.00000 0.00000 0.00000 -0.04956 0.00000
72 21G+3 -1.13944 0.00000 0.00000 0.00000 0.00000
73 21G-3 0.00000 0.24061 0.00000 0.00000 -0.85964
74 21G+4 0.00000 0.00000 -0.01418 0.00000 0.00000
75 21G-4 0.00000 0.00000 0.00000 0.01418 0.00000
76 22G 0 0.00000 0.02481 0.00000 0.00000 -0.10993
77 22G+1 0.00000 0.00000 0.00000 0.28443 0.00000
78 22G-1 0.00000 0.00000 0.28443 0.00000 0.00000
79 22G+2 0.00000 0.00000 0.07052 0.00000 0.00000
80 22G-2 0.00000 0.00000 0.00000 0.07052 0.00000
81 22G+3 -0.28747 0.00000 0.00000 0.00000 0.00000
82 22G-3 0.00000 0.50368 0.00000 0.00000 -0.80762
83 22G+4 0.00000 0.00000 0.29021 0.00000 0.00000
84 22G-4 0.00000 0.00000 0.00000 -0.29021 0.00000
85 23H 0 0.00000 -0.04095 0.00000 0.00000 0.33188
86 23H+1 0.00000 0.00000 0.00000 -0.02977 0.00000
87 23H-1 0.00000 0.00000 -0.02977 0.00000 0.00000
88 23H+2 0.00000 0.00000 -0.05586 0.00000 0.00000
89 23H-2 0.00000 0.00000 0.00000 -0.05586 0.00000
90 23H+3 0.10516 0.00000 0.00000 0.00000 0.00000
91 23H-3 0.00000 -0.00933 0.00000 0.00000 -0.11100
92 23H+4 0.00000 0.00000 0.03709 0.00000 0.00000
93 23H-4 0.00000 0.00000 0.00000 -0.03709 0.00000
94 23H+5 0.00000 0.00000 0.00000 -0.01540 0.00000
95 23H-5 0.00000 0.00000 0.01540 0.00000 0.00000
96 2 H 1S 0.00000 -0.41703 -0.60909 0.00000 0.13398
97 2S 0.00000 1.63115 2.28707 0.00000 -1.24449
98 3S 0.00000 -3.68180 -4.94685 0.00000 5.94900
99 4S 0.00000 -3.32746 -5.51836 0.00000 2.84626
100 5S 0.00000 0.18957 0.23570 0.00000 -0.12454
101 6PX 1.12920 0.00000 0.00000 0.13961 0.00000
102 6PY 0.00000 1.03482 1.52768 0.00000 -0.13259
103 6PZ 0.00000 -0.34721 -0.37821 0.00000 0.07089
104 7PX -1.63412 0.00000 0.00000 -0.22030 0.00000
105 7PY 0.00000 -1.80997 -2.65099 0.00000 0.63830
106 7PZ 0.00000 0.59887 0.67237 0.00000 -0.28084
107 8PX 1.87093 0.00000 0.00000 0.29212 0.00000
108 8PY 0.00000 2.96458 4.16427 0.00000 -3.19142
109 8PZ 0.00000 -0.95391 -1.09490 0.00000 1.19101
110 9PX 0.79656 0.00000 0.00000 0.19232 0.00000
111 9PY 0.00000 1.70376 2.64668 0.00000 -1.69850
112 9PZ 0.00000 -0.55641 -0.70066 0.00000 0.69768
113 10D 0 0.00000 -0.10846 -0.12346 0.00000 0.07411
114 10D+1 0.03013 0.00000 0.00000 0.01538 0.00000
115 10D-1 0.00000 -0.13189 -0.16821 0.00000 0.05644
116 10D+2 0.00000 -0.23127 -0.24563 0.00000 0.11537
117 10D-2 0.02824 0.00000 0.00000 -0.00838 0.00000
118 11D 0 0.00000 0.17338 0.15948 0.00000 -0.25045
119 11D+1 -0.06433 0.00000 0.00000 -0.02641 0.00000
120 11D-1 0.00000 0.19461 0.24082 0.00000 -0.22096
121 11D+2 0.00000 0.35573 0.33024 0.00000 -0.41715
122 11D-2 0.04307 0.00000 0.00000 0.03985 0.00000
123 12D 0 0.00000 0.43098 0.74007 0.00000 -0.20733
124 12D+1 0.24567 0.00000 0.00000 0.03258 0.00000
125 12D-1 0.00000 0.63731 0.76694 0.00000 -0.65651
126 12D+2 0.00000 0.98526 1.40990 0.00000 -0.71669
127 12D-2 -1.09622 0.00000 0.00000 -0.23663 0.00000
128 13F 0 0.00000 -0.04144 -0.06742 0.00000 -0.00638
129 13F+1 0.03183 0.00000 0.00000 0.00572 0.00000
130 13F-1 0.00000 0.03187 0.05380 0.00000 0.02522
131 13F+2 0.00000 -0.05999 -0.06129 0.00000 -0.02507
132 13F-2 0.04294 0.00000 0.00000 -0.00464 0.00000
133 13F+3 0.11718 0.00000 0.00000 0.02307 0.00000
134 13F-3 0.00000 0.08041 0.09824 0.00000 0.02271
135 14F 0 0.00000 0.20144 0.26844 0.00000 -0.10885
136 14F+1 -0.09201 0.00000 0.00000 -0.02292 0.00000
137 14F-1 0.00000 -0.17427 -0.23411 0.00000 0.04759
138 14F+2 0.00000 0.28205 0.31740 0.00000 -0.09651
139 14F-2 -0.09693 0.00000 0.00000 0.02069 0.00000
140 14F+3 -0.33142 0.00000 0.00000 -0.05299 0.00000
141 14F-3 0.00000 -0.39130 -0.42759 0.00000 0.13952
142 15G 0 0.00000 -0.00972 -0.01751 0.00000 0.00609
143 15G+1 -0.01474 0.00000 0.00000 -0.00373 0.00000
144 15G-1 0.00000 -0.08474 -0.10822 0.00000 0.00192
145 15G+2 0.00000 -0.03260 -0.03600 0.00000 0.01088
146 15G-2 0.02493 0.00000 0.00000 0.01811 0.00000
147 15G+3 -0.00424 0.00000 0.00000 0.01517 0.00000
148 15G-3 0.00000 -0.09032 -0.09832 0.00000 -0.01516
149 15G+4 0.00000 -0.11472 -0.10049 0.00000 -0.00410
150 15G-4 0.06272 0.00000 0.00000 0.01191 0.00000
151 3 H 1S 0.00000 -0.41703 0.30455 -0.52749 0.13398
152 2S 0.00000 1.63115 -1.14353 1.98066 -1.24449
153 3S 0.00000 -3.68180 2.47343 -4.28410 5.94900
154 4S 0.00000 -3.32746 2.75918 -4.77904 2.84626
155 5S 0.00000 0.18957 -0.11785 0.20412 -0.12454
156 6PX -0.56460 0.89618 -0.60105 1.18066 -0.11482
157 6PY -0.97791 -0.51741 0.48663 -0.60105 0.06629
158 6PZ 0.00000 -0.34721 0.18911 -0.32754 0.07089
159 7PX 0.81706 -1.56748 1.05252 -2.04332 0.55278
160 7PY 1.41519 0.90498 -0.82798 1.05252 -0.31915
161 7PZ 0.00000 0.59887 -0.33618 0.58229 -0.28084
162 8PX -0.93547 2.56740 -1.67669 3.19623 -2.76385
163 8PY -1.62027 -1.48229 1.26015 -1.67669 1.59571
164 8PZ 0.00000 -0.95391 0.54745 -0.94821 1.19101
165 9PX -0.39828 1.47550 -1.06276 2.03309 -1.47095
166 9PY -0.68984 -0.85188 0.80591 -1.06276 0.84925
167 9PZ 0.00000 -0.55641 0.35033 -0.60679 0.69768
168 10D 0 0.00000 -0.10846 0.06173 -0.10692 0.07411
169 10D+1 -0.01506 -0.11422 0.07950 -0.12231 0.04888
170 10D-1 -0.02609 0.06594 -0.03052 0.07950 -0.02822
171 10D+2 -0.02446 0.11563 -0.06769 0.10273 -0.05769
172 10D-2 -0.01412 -0.20029 0.10273 -0.18632 0.09991
173 11D 0 0.00000 0.17338 -0.07974 0.13812 -0.25045
174 11D+1 0.03217 0.16854 -0.11571 0.17401 -0.19135
175 11D-1 0.05571 -0.09730 0.04040 -0.11571 0.11048
176 11D+2 -0.03730 -0.17787 0.11245 -0.12574 0.20858
177 11D-2 -0.02153 0.30807 -0.12574 0.25764 -0.36127
178 12D 0 0.00000 0.43098 -0.37003 0.64092 -0.20733
179 12D+1 -0.12284 0.55193 -0.31799 0.58335 -0.56856
180 12D-1 -0.21276 -0.31865 0.21617 -0.31799 0.32826
181 12D+2 0.94935 -0.49263 0.17500 -0.71297 0.35835
182 12D-2 0.54811 0.85326 -0.71297 0.99826 -0.62067
183 13F 0 0.00000 -0.04144 0.03371 -0.05838 -0.00638
184 13F+1 -0.01592 0.02760 -0.02082 0.04178 0.02184
185 13F-1 -0.02757 -0.01594 0.01774 -0.02082 -0.01261
186 13F+2 -0.03719 0.03000 -0.01881 0.02453 0.01254
187 13F-2 -0.02147 -0.05196 0.02453 -0.04713 -0.02171
188 13F+3 0.11718 0.00000 -0.01998 -0.01153 0.00000
189 13F-3 0.00000 0.08041 -0.04912 0.08508 0.02271
190 14F 0 0.00000 0.20144 -0.13422 0.23248 -0.10885
191 14F+1 0.04601 -0.15093 0.09145 -0.18131 0.04122
192 14F-1 0.07969 0.08714 -0.07572 0.09145 -0.02380
193 14F+2 0.08394 -0.14102 0.09487 -0.12848 0.04826
194 14F-2 0.04846 0.24426 -0.12848 0.24322 -0.08358
195 14F+3 -0.33142 0.00000 0.04589 0.02650 0.00000
196 14F-3 0.00000 -0.39130 0.21379 -0.37030 0.13952
197 15G 0 0.00000 -0.00972 0.00875 -0.01516 0.00609
198 15G+1 0.00737 -0.07338 0.04525 -0.08210 0.00166
199 15G-1 0.01277 0.04237 -0.02985 0.04525 -0.00096
200 15G+2 -0.02159 0.01630 0.00458 0.02343 -0.00544
201 15G-2 -0.01247 -0.02823 0.02343 -0.02247 0.00942
202 15G+3 -0.00424 0.00000 -0.01314 -0.00759 0.00000
203 15G-3 0.00000 -0.09032 0.04916 -0.08515 -0.01516
204 15G+4 0.05432 0.05736 -0.03406 0.03836 0.00205
205 15G-4 -0.03136 0.09935 -0.03836 0.07835 0.00355
206 4 H 1S 0.00000 -0.41703 0.30455 0.52749 0.13398
207 2S 0.00000 1.63115 -1.14353 -1.98066 -1.24449
208 3S 0.00000 -3.68180 2.47343 4.28410 5.94900
209 4S 0.00000 -3.32746 2.75918 4.77904 2.84626
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232 11D-2 -0.02153 -0.30807 0.12574 0.25764 0.36127
233 12D 0 0.00000 0.43098 -0.37003 -0.64092 -0.20733
234 12D+1 -0.12284 -0.55193 0.31799 0.58335 0.56856
235 12D-1 0.21276 -0.31865 0.21617 0.31799 0.32826
236 12D+2 -0.94935 -0.49263 0.17500 0.71297 0.35835
237 12D-2 0.54811 -0.85326 0.71297 0.99826 0.62067
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239 13F+1 -0.01592 -0.02760 0.02082 0.04178 -0.02184
240 13F-1 0.02757 -0.01594 0.01774 0.02082 -0.01261
241 13F+2 0.03719 0.03000 -0.01881 -0.02453 0.01254
242 13F-2 -0.02147 0.05196 -0.02453 -0.04713 0.02171
243 13F+3 0.11718 0.00000 0.01998 -0.01153 0.00000
244 13F-3 0.00000 0.08041 -0.04912 -0.08508 0.02271
245 14F 0 0.00000 0.20144 -0.13422 -0.23248 -0.10885
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248 14F+2 -0.08394 -0.14102 0.09487 0.12848 0.04826
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251 14F-3 0.00000 -0.39130 0.21379 0.37030 0.13952
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Alpha Density Matrix:
1 2 3 4 5
1 1 Si 1S 1.07359
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3 3S 0.15665 -0.21261 0.35242
4 4S -0.05669 0.07593 -0.13217 0.05292
5 5S 0.01804 -0.02657 0.07662 -0.04601 0.10575
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7 7S 0.01002 -0.01482 0.04208 -0.02576 0.06039
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152 2S 0.00219 -0.00320 0.00860 -0.00482 0.01014
153 3S 0.00413 -0.00624 0.01789 -0.01041 0.02307
154 4S 0.00325 -0.00485 0.01439 -0.00843 0.01887
155 5S -0.00054 0.00080 -0.00253 0.00180 -0.00489
156 6PX -0.00002 0.00003 -0.00009 0.00005 -0.00013
157 6PY 0.00001 -0.00002 0.00005 -0.00003 0.00007
158 6PZ 0.00001 -0.00002 0.00006 -0.00004 0.00010
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Beta Density Matrix:
1 2 3 4 5
1 1 Si 1S 1.07293
2 2S -0.09907 0.13116
3 3S 0.15381 -0.20841 0.34031
4 4S -0.05491 0.07329 -0.12458 0.04816
5 5S 0.01375 -0.02022 0.05832 -0.03453 0.07810
6 6S 0.02252 -0.03289 0.08742 -0.04958 0.10576
7 7S 0.00313 -0.00462 0.01266 -0.00730 0.01595
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75 21G-4 0.00000 0.00000 0.00000 0.00000 0.00000
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112 9PZ -0.00005 0.00004 0.00008 -0.00011 0.00041
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120 11D-1 0.00001 -0.00001 -0.00002 0.00003 -0.00011
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123 12D 0 0.00002 -0.00002 -0.00003 0.00005 -0.00019
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125 12D-1 0.00007 -0.00008 0.00009 0.00000 -0.00012
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135 14F 0 0.00002 -0.00002 0.00003 0.00000 -0.00002
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137 14F-1 -0.00002 0.00003 -0.00005 0.00002 -0.00001
138 14F+2 0.00002 -0.00003 0.00003 0.00000 -0.00003
139 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
140 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
141 14F-3 -0.00003 0.00004 -0.00005 0.00001 0.00004
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150 15G-4 0.00000 0.00000 0.00000 0.00000 0.00000
151 3 H 1S 0.00112 -0.00165 0.00460 -0.00268 0.00592
152 2S 0.00275 -0.00403 0.01099 -0.00632 0.01376
153 3S 0.00509 -0.00766 0.02199 -0.01298 0.02926
154 4S 0.00460 -0.00686 0.02018 -0.01207 0.02762
155 5S 0.00106 -0.00156 0.00429 -0.00248 0.00542
156 6PX -0.00002 0.00003 -0.00010 0.00006 -0.00014
157 6PY 0.00001 -0.00002 0.00006 -0.00003 0.00008
158 6PZ 0.00000 -0.00001 0.00002 -0.00002 0.00004
159 7PX -0.00014 0.00019 -0.00047 0.00025 -0.00049
160 7PY 0.00008 -0.00011 0.00027 -0.00014 0.00028
161 7PZ 0.00005 -0.00006 0.00015 -0.00008 0.00014
162 8PX -0.00019 0.00035 -0.00141 0.00095 -0.00250
163 8PY 0.00011 -0.00020 0.00082 -0.00055 0.00144
164 8PZ 0.00001 -0.00006 0.00033 -0.00024 0.00070
165 9PX -0.00015 0.00026 -0.00122 0.00086 -0.00233
166 9PY 0.00009 -0.00015 0.00070 -0.00049 0.00134
167 9PZ -0.00005 0.00004 0.00008 -0.00011 0.00041
168 10D 0 -0.00001 0.00001 -0.00002 0.00001 -0.00002
169 10D+1 -0.00001 0.00001 -0.00002 0.00001 -0.00001
170 10D-1 0.00000 -0.00001 0.00001 0.00000 0.00001
171 10D+2 0.00001 -0.00001 0.00002 -0.00001 0.00002
172 10D-2 -0.00001 0.00002 -0.00004 0.00002 -0.00003
173 11D 0 0.00001 -0.00001 -0.00001 0.00002 -0.00008
174 11D+1 0.00001 -0.00001 -0.00002 0.00002 -0.00010
175 11D-1 -0.00001 0.00001 0.00001 -0.00001 0.00006
176 11D+2 -0.00001 0.00001 0.00001 -0.00002 0.00008
177 11D-2 0.00002 -0.00002 -0.00002 0.00003 -0.00014
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Full Mulliken population analysis:
1 2 3 4 5
1 1 Si 1S 2.14652
2 2S -0.03314 0.26377
3 3S -0.09949 0.38774 0.69273
4 4S -0.02056 0.10660 0.22987 0.10108
5 5S 0.00289 -0.01954 -0.08039 -0.06746 0.18385
6 6S 0.00255 -0.01820 -0.07379 -0.06686 0.22153
7 7S 0.00035 -0.00260 -0.01139 -0.01154 0.04783
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98 3S 0.00003 -0.00027 -0.00145 -0.00190 0.01096
99 4S 0.00011 -0.00084 -0.00389 -0.00399 0.01707
100 5S 0.00001 -0.00006 -0.00023 -0.00015 0.00022
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252 15G 0 0.00000 0.00000 0.00000 0.00000 0.00000
253 15G+1 0.00000 0.00000 0.00000 0.00000 0.00000
254 15G-1 0.00000 0.00000 0.00000 0.00000 0.00000
255 15G+2 0.00000 0.00000 0.00000 0.00000 0.00000
256 15G-2 0.00000 0.00000 0.00000 0.00000 0.00000
257 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
258 15G-3 0.00000 0.00000 0.00000 0.00000 0.00000
259 15G+4 0.00000 0.00000 0.00000 0.00000 0.00000
260 15G-4 0.00000 0.00000 0.00000 0.00000 0.00000
251 252 253 254 255
251 14F-3 0.00000
252 15G 0 0.00000 0.00000
253 15G+1 0.00000 0.00000 0.00000
254 15G-1 0.00000 0.00000 0.00000 0.00000
255 15G+2 0.00000 0.00000 0.00000 0.00000 0.00000
256 15G-2 0.00000 0.00000 0.00000 0.00000 0.00000
257 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
258 15G-3 0.00000 0.00000 0.00000 0.00000 0.00000
259 15G+4 0.00000 0.00000 0.00000 0.00000 0.00000
260 15G-4 0.00000 0.00000 0.00000 0.00000 0.00000
256 257 258 259 260
256 15G-2 0.00000
257 15G+3 0.00000 0.00000
258 15G-3 0.00000 0.00000 0.00000
259 15G+4 0.00000 0.00000 0.00000 0.00000
260 15G-4 0.00000 0.00000 0.00000 0.00000 0.00000
Gross orbital populations:
Total Alpha Beta Spin
1 1 Si 1S 1.99959 0.99980 0.99980 0.00000
2 2S 0.68081 0.34136 0.33945 0.00191
3 3S 1.02579 0.51303 0.51276 0.00027
4 4S 0.24910 0.12113 0.12798 -0.00685
5 5S 0.39577 0.21816 0.17761 0.04055
6 6S 0.70315 0.38480 0.31836 0.06644
7 7S 0.15980 0.11270 0.04710 0.06561
8 8PX 1.02013 0.51007 0.51007 0.00000
9 8PY 1.02013 0.51007 0.51007 0.00000
10 8PZ 1.01580 0.51376 0.50205 0.01171
11 9PX 0.81242 0.40621 0.40621 0.00000
12 9PY 0.81242 0.40621 0.40621 0.00000
13 9PZ 0.81287 0.40545 0.40742 -0.00196
14 10PX 0.18221 0.09110 0.09110 0.00000
15 10PY 0.18221 0.09110 0.09110 0.00000
16 10PZ 0.18071 0.09259 0.08812 0.00448
17 11PX 0.28628 0.14314 0.14314 0.00000
18 11PY 0.28628 0.14314 0.14314 0.00000
19 11PZ 0.24822 0.23477 0.01345 0.22131
20 12PX 0.36025 0.18013 0.18013 0.00000
21 12PY 0.36025 0.18013 0.18013 0.00000
22 12PZ 0.42771 0.41662 0.01109 0.40553
23 13PX 0.03312 0.01656 0.01656 0.00000
24 13PY 0.03312 0.01656 0.01656 0.00000
25 13PZ 0.11873 0.11659 0.00214 0.11444
26 14D 0 0.01623 0.01505 0.00118 0.01387
27 14D+1 0.00853 0.00427 0.00427 0.00000
28 14D-1 0.00853 0.00427 0.00427 0.00000
29 14D+2 0.02224 0.01112 0.01112 0.00000
30 14D-2 0.02224 0.01112 0.01112 0.00000
31 15D 0 0.01699 0.01393 0.00306 0.01087
32 15D+1 0.01338 0.00669 0.00669 0.00000
33 15D-1 0.01338 0.00669 0.00669 0.00000
34 15D+2 0.03462 0.01731 0.01731 0.00000
35 15D-2 0.03462 0.01731 0.01731 0.00000
36 16D 0 0.00229 0.00174 0.00055 0.00119
37 16D+1 0.00229 0.00114 0.00114 0.00000
38 16D-1 0.00229 0.00114 0.00114 0.00000
39 16D+2 0.00551 0.00276 0.00276 0.00000
40 16D-2 0.00551 0.00276 0.00276 0.00000
41 17D 0 0.00036 0.00028 0.00008 0.00021
42 17D+1 0.00039 0.00019 0.00019 0.00000
43 17D-1 0.00039 0.00019 0.00019 0.00000
44 17D+2 0.00095 0.00047 0.00047 0.00000
45 17D-2 0.00095 0.00047 0.00047 0.00000
46 18F 0 0.00018 -0.00012 0.00031 -0.00043
47 18F+1 0.00021 0.00011 0.00011 0.00000
48 18F-1 0.00021 0.00011 0.00011 0.00000
49 18F+2 0.00155 0.00078 0.00078 0.00000
50 18F-2 0.00155 0.00078 0.00078 0.00000
51 18F+3 0.00000 0.00000 0.00000 0.00000
52 18F-3 0.00277 0.00175 0.00103 0.00072
53 19F 0 0.00073 0.00037 0.00036 0.00001
54 19F+1 0.00029 0.00015 0.00015 0.00000
55 19F-1 0.00029 0.00015 0.00015 0.00000
56 19F+2 0.00159 0.00080 0.00080 0.00000
57 19F-2 0.00159 0.00080 0.00080 0.00000
58 19F+3 0.00000 0.00000 0.00000 0.00000
59 19F-3 0.00342 0.00222 0.00120 0.00103
60 20F 0 0.00039 0.00018 0.00021 -0.00003
61 20F+1 0.00015 0.00007 0.00007 0.00000
62 20F-1 0.00015 0.00007 0.00007 0.00000
63 20F+2 0.00043 0.00021 0.00021 0.00000
64 20F-2 0.00043 0.00021 0.00021 0.00000
65 20F+3 0.00000 0.00000 0.00000 0.00000
66 20F-3 0.00131 0.00068 0.00063 0.00004
67 21G 0 0.00001 0.00000 0.00001 0.00000
68 21G+1 0.00021 0.00011 0.00011 0.00000
69 21G-1 0.00021 0.00011 0.00011 0.00000
70 21G+2 0.00000 0.00000 0.00000 0.00000
71 21G-2 0.00000 0.00000 0.00000 0.00000
72 21G+3 0.00000 0.00000 0.00000 0.00000
73 21G-3 0.00038 0.00025 0.00013 0.00012
74 21G+4 0.00004 0.00002 0.00002 0.00000
75 21G-4 0.00004 0.00002 0.00002 0.00000
76 22G 0 0.00000 0.00000 0.00000 0.00000
77 22G+1 0.00005 0.00002 0.00002 0.00000
78 22G-1 0.00005 0.00002 0.00002 0.00000
79 22G+2 0.00001 0.00000 0.00000 0.00000
80 22G-2 0.00001 0.00000 0.00000 0.00000
81 22G+3 0.00000 0.00000 0.00000 0.00000
82 22G-3 0.00022 0.00012 0.00010 0.00002
83 22G+4 0.00008 0.00004 0.00004 0.00000
84 22G-4 0.00008 0.00004 0.00004 0.00000
85 23H 0 0.00003 0.00002 0.00001 0.00001
86 23H+1 0.00000 0.00000 0.00000 0.00000
87 23H-1 0.00000 0.00000 0.00000 0.00000
88 23H+2 0.00003 0.00001 0.00001 0.00000
89 23H-2 0.00003 0.00001 0.00001 0.00000
90 23H+3 0.00000 0.00000 0.00000 0.00000
91 23H-3 0.00000 0.00000 0.00000 0.00000
92 23H+4 0.00003 0.00002 0.00002 0.00000
93 23H-4 0.00003 0.00002 0.00002 0.00000
94 23H+5 0.00004 0.00002 0.00002 0.00000
95 23H-5 0.00004 0.00002 0.00002 0.00000
96 2 H 1S 0.03258 0.01659 0.01599 0.00060
97 2S 0.13494 0.06874 0.06620 0.00255
98 3S 0.39615 0.20049 0.19566 0.00484
99 4S 0.43144 0.21765 0.21379 0.00386
100 5S 0.09533 0.04688 0.04845 -0.00156
101 6PX 0.00000 0.00000 0.00000 0.00000
102 6PY 0.00008 0.00004 0.00004 0.00000
103 6PZ 0.00002 0.00001 0.00001 0.00001
104 7PX 0.00002 0.00001 0.00001 0.00000
105 7PY 0.00053 0.00027 0.00026 0.00001
106 7PZ 0.00011 0.00008 0.00003 0.00005
107 8PX 0.00060 0.00030 0.00030 0.00000
108 8PY 0.00758 0.00379 0.00380 -0.00001
109 8PZ 0.00203 0.00152 0.00051 0.00100
110 9PX 0.00267 0.00134 0.00134 0.00000
111 9PY 0.00832 0.00415 0.00417 -0.00002
112 9PZ 0.00603 0.00522 0.00081 0.00441
113 10D 0 0.00000 0.00000 0.00000 0.00000
114 10D+1 0.00000 0.00000 0.00000 0.00000
115 10D-1 0.00000 0.00000 0.00000 0.00000
116 10D+2 0.00000 0.00000 0.00000 0.00000
117 10D-2 0.00000 0.00000 0.00000 0.00000
118 11D 0 0.00003 0.00002 0.00001 0.00000
119 11D+1 0.00000 0.00000 0.00000 0.00000
120 11D-1 0.00008 0.00005 0.00003 0.00002
121 11D+2 0.00014 0.00007 0.00007 0.00000
122 11D-2 0.00001 0.00001 0.00001 0.00000
123 12D 0 0.00024 0.00020 0.00003 0.00017
124 12D+1 0.00002 0.00001 0.00001 0.00000
125 12D-1 0.00072 0.00054 0.00018 0.00035
126 12D+2 0.00044 0.00023 0.00021 0.00001
127 12D-2 0.00061 0.00030 0.00030 0.00000
128 13F 0 0.00000 0.00000 0.00000 0.00000
129 13F+1 0.00000 0.00000 0.00000 0.00000
130 13F-1 0.00000 0.00000 0.00000 0.00000
131 13F+2 0.00000 0.00000 0.00000 0.00000
132 13F-2 0.00000 0.00000 0.00000 0.00000
133 13F+3 0.00000 0.00000 0.00000 0.00000
134 13F-3 0.00000 0.00000 0.00000 0.00000
135 14F 0 0.00002 0.00001 0.00001 0.00000
136 14F+1 0.00000 0.00000 0.00000 0.00000
137 14F-1 0.00002 0.00002 0.00000 0.00002
138 14F+2 0.00003 0.00001 0.00002 -0.00001
139 14F-2 0.00000 0.00000 0.00000 0.00000
140 14F+3 0.00002 0.00001 0.00001 0.00000
141 14F-3 0.00004 0.00002 0.00002 0.00000
142 15G 0 0.00000 0.00000 0.00000 0.00000
143 15G+1 0.00000 0.00000 0.00000 0.00000
144 15G-1 0.00000 0.00000 0.00000 0.00000
145 15G+2 0.00000 0.00000 0.00000 0.00000
146 15G-2 0.00000 0.00000 0.00000 0.00000
147 15G+3 0.00000 0.00000 0.00000 0.00000
148 15G-3 0.00000 0.00000 0.00000 0.00000
149 15G+4 0.00000 0.00000 0.00000 0.00000
150 15G-4 0.00000 0.00000 0.00000 0.00000
151 3 H 1S 0.03258 0.01659 0.01599 0.00060
152 2S 0.13494 0.06874 0.06620 0.00255
153 3S 0.39615 0.20049 0.19566 0.00484
154 4S 0.43144 0.21765 0.21379 0.00386
155 5S 0.09533 0.04688 0.04845 -0.00156
156 6PX 0.00006 0.00003 0.00003 0.00000
157 6PY 0.00002 0.00001 0.00001 0.00000
158 6PZ 0.00002 0.00001 0.00001 0.00001
159 7PX 0.00040 0.00020 0.00020 0.00000
160 7PY 0.00015 0.00008 0.00007 0.00000
161 7PZ 0.00011 0.00008 0.00003 0.00005
162 8PX 0.00584 0.00292 0.00292 0.00000
163 8PY 0.00234 0.00117 0.00117 0.00000
164 8PZ 0.00203 0.00152 0.00051 0.00100
165 9PX 0.00691 0.00345 0.00346 -0.00001
166 9PY 0.00408 0.00204 0.00204 0.00000
167 9PZ 0.00603 0.00522 0.00081 0.00441
168 10D 0 0.00000 0.00000 0.00000 0.00000
169 10D+1 0.00000 0.00000 0.00000 0.00000
170 10D-1 0.00000 0.00000 0.00000 0.00000
171 10D+2 0.00000 0.00000 0.00000 0.00000
172 10D-2 0.00000 0.00000 0.00000 0.00000
173 11D 0 0.00003 0.00002 0.00001 0.00000
174 11D+1 0.00006 0.00004 0.00003 0.00001
175 11D-1 0.00002 0.00001 0.00001 0.00000
176 11D+2 0.00004 0.00002 0.00002 0.00000
177 11D-2 0.00010 0.00005 0.00005 0.00000
178 12D 0 0.00024 0.00020 0.00003 0.00017
179 12D+1 0.00054 0.00040 0.00014 0.00027
180 12D-1 0.00019 0.00014 0.00005 0.00009
181 12D+2 0.00056 0.00028 0.00028 0.00000
182 12D-2 0.00048 0.00025 0.00024 0.00001
183 13F 0 0.00000 0.00000 0.00000 0.00000
184 13F+1 0.00000 0.00000 0.00000 0.00000
185 13F-1 0.00000 0.00000 0.00000 0.00000
186 13F+2 0.00000 0.00000 0.00000 0.00000
187 13F-2 0.00000 0.00000 0.00000 0.00000
188 13F+3 0.00000 0.00000 0.00000 0.00000
189 13F-3 0.00000 0.00000 0.00000 0.00000
190 14F 0 0.00002 0.00001 0.00001 0.00000
191 14F+1 0.00002 0.00001 0.00000 0.00001
192 14F-1 0.00001 0.00000 0.00000 0.00000
193 14F+2 0.00001 0.00000 0.00001 0.00000
194 14F-2 0.00002 0.00001 0.00001 0.00000
195 14F+3 0.00002 0.00001 0.00001 0.00000
196 14F-3 0.00004 0.00002 0.00002 0.00000
197 15G 0 0.00000 0.00000 0.00000 0.00000
198 15G+1 0.00000 0.00000 0.00000 0.00000
199 15G-1 0.00000 0.00000 0.00000 0.00000
200 15G+2 0.00000 0.00000 0.00000 0.00000
201 15G-2 0.00000 0.00000 0.00000 0.00000
202 15G+3 0.00000 0.00000 0.00000 0.00000
203 15G-3 0.00000 0.00000 0.00000 0.00000
204 15G+4 0.00000 0.00000 0.00000 0.00000
205 15G-4 0.00000 0.00000 0.00000 0.00000
206 4 H 1S 0.03258 0.01659 0.01599 0.00060
207 2S 0.13494 0.06874 0.06620 0.00255
208 3S 0.39615 0.20049 0.19566 0.00484
209 4S 0.43144 0.21765 0.21379 0.00386
210 5S 0.09533 0.04688 0.04845 -0.00156
211 6PX 0.00006 0.00003 0.00003 0.00000
212 6PY 0.00002 0.00001 0.00001 0.00000
213 6PZ 0.00002 0.00001 0.00001 0.00001
214 7PX 0.00040 0.00020 0.00020 0.00000
215 7PY 0.00015 0.00008 0.00007 0.00000
216 7PZ 0.00011 0.00008 0.00003 0.00005
217 8PX 0.00584 0.00292 0.00292 0.00000
218 8PY 0.00234 0.00117 0.00117 0.00000
219 8PZ 0.00203 0.00152 0.00051 0.00100
220 9PX 0.00691 0.00345 0.00346 -0.00001
221 9PY 0.00408 0.00204 0.00204 0.00000
222 9PZ 0.00603 0.00522 0.00081 0.00441
223 10D 0 0.00000 0.00000 0.00000 0.00000
224 10D+1 0.00000 0.00000 0.00000 0.00000
225 10D-1 0.00000 0.00000 0.00000 0.00000
226 10D+2 0.00000 0.00000 0.00000 0.00000
227 10D-2 0.00000 0.00000 0.00000 0.00000
228 11D 0 0.00003 0.00002 0.00001 0.00000
229 11D+1 0.00006 0.00004 0.00003 0.00001
230 11D-1 0.00002 0.00001 0.00001 0.00000
231 11D+2 0.00004 0.00002 0.00002 0.00000
232 11D-2 0.00010 0.00005 0.00005 0.00000
233 12D 0 0.00024 0.00020 0.00003 0.00017
234 12D+1 0.00054 0.00040 0.00014 0.00027
235 12D-1 0.00019 0.00014 0.00005 0.00009
236 12D+2 0.00056 0.00028 0.00028 0.00000
237 12D-2 0.00048 0.00025 0.00024 0.00001
238 13F 0 0.00000 0.00000 0.00000 0.00000
239 13F+1 0.00000 0.00000 0.00000 0.00000
240 13F-1 0.00000 0.00000 0.00000 0.00000
241 13F+2 0.00000 0.00000 0.00000 0.00000
242 13F-2 0.00000 0.00000 0.00000 0.00000
243 13F+3 0.00000 0.00000 0.00000 0.00000
244 13F-3 0.00000 0.00000 0.00000 0.00000
245 14F 0 0.00002 0.00001 0.00001 0.00000
246 14F+1 0.00002 0.00001 0.00000 0.00001
247 14F-1 0.00001 0.00000 0.00000 0.00000
248 14F+2 0.00001 0.00000 0.00001 0.00000
249 14F-2 0.00002 0.00001 0.00001 0.00000
250 14F+3 0.00002 0.00001 0.00001 0.00000
251 14F-3 0.00004 0.00002 0.00002 0.00000
252 15G 0 0.00000 0.00000 0.00000 0.00000
253 15G+1 0.00000 0.00000 0.00000 0.00000
254 15G-1 0.00000 0.00000 0.00000 0.00000
255 15G+2 0.00000 0.00000 0.00000 0.00000
256 15G-2 0.00000 0.00000 0.00000 0.00000
257 15G+3 0.00000 0.00000 0.00000 0.00000
258 15G-3 0.00000 0.00000 0.00000 0.00000
259 15G+4 0.00000 0.00000 0.00000 0.00000
260 15G-4 0.00000 0.00000 0.00000 0.00000
Condensed to atoms (all electrons):
1 2 3 4
1 Si 12.438752 0.399560 0.399560 0.399560
2 H 0.399560 0.757214 -0.017959 -0.017959
3 H 0.399560 -0.017959 0.757214 -0.017959
4 H 0.399560 -0.017959 -0.017959 0.757214
Atomic-Atomic Spin Densities.
1 2 3 4
1 Si 1.008009 -0.018982 -0.018982 -0.018982
2 H -0.018982 0.024798 0.005248 0.005248
3 H -0.018982 0.005248 0.024798 0.005248
4 H -0.018982 0.005248 0.005248 0.024798
Mulliken charges and spin densities:
1 2
1 Si 0.362568 0.951064
2 H -0.120856 0.016312
3 H -0.120856 0.016312
4 H -0.120856 0.016312
Sum of Mulliken charges = 0.00000 1.00000
Mulliken charges and spin densities with hydrogens summed into heavy atoms:
1 2
1 Si 0.000000 1.000000
Electronic spatial extent (au): <R**2>= 59.4012
Charge= 0.0000 electrons
Dipole moment (field-independent basis, Debye):
X= 0.0000 Y= 0.0000 Z= -0.0140 Tot= 0.0140
Quadrupole moment (field-independent basis, Debye-Ang):
XX= -16.1075 YY= -16.1075 ZZ= -16.4426
XY= 0.0000 XZ= 0.0000 YZ= 0.0000
Traceless Quadrupole moment (field-independent basis, Debye-Ang):
XX= 0.1117 YY= 0.1117 ZZ= -0.2234
XY= 0.0000 XZ= 0.0000 YZ= 0.0000
Octapole moment (field-independent basis, Debye-Ang**2):
XXX= 0.0000 YYY= -1.0480 ZZZ= -2.1352 XYY= 0.0000
XXY= 1.0480 XXZ= 0.5093 XZZ= 0.0000 YZZ= 0.0000
YYZ= 0.5093 XYZ= 0.0000
Hexadecapole moment (field-independent basis, Debye-Ang**3):
XXXX= -43.2514 YYYY= -43.2514 ZZZZ= -33.5197 XXXY= 0.0000
XXXZ= 0.0000 YYYX= 0.0000 YYYZ= -0.1821 ZZZX= 0.0000
ZZZY= 0.0000 XXYY= -14.4171 XXZZ= -12.6400 YYZZ= -12.6400
XXYZ= 0.1821 YYXZ= 0.0000 ZZXY= 0.0000
N-N= 1.561722606086D+01 E-N=-7.241871828906D+02 KE= 2.906238370323D+02
Symmetry A' KE= 2.645489723273D+02
Symmetry A" KE= 2.607486470492D+01
Orbital energies and kinetic energies (alpha):
1 2
1 (A1)--O -68.787172 92.241670
2 (A1)--O -6.135609 13.237178
3 (E)--O -4.248151 12.200312
4 (E)--O -4.238680 12.200312
5 (A1)--O -4.238680 12.192319
6 (A1)--O -0.728253 1.056613
7 (E)--O -0.496539 0.837120
8 (E)--O -0.496539 0.837120
9 (A1)--O -0.335808 1.018549
10 (A1)--V 0.105881 0.387450
11 (E)--V 0.111925 0.230415
12 (E)--V 0.111925 0.230415
13 (A1)--V 0.155686 0.290861
14 (E)--V 0.172928 0.401799
15 (E)--V 0.172928 0.401799
16 (A1)--V 0.205068 0.490492
17 (E)--V 0.261373 0.452764
18 (E)--V 0.261373 0.452764
19 (E)--V 0.299945 0.645259
20 (E)--V 0.299945 0.645259
21 (A1)--V 0.322810 0.606052
22 (A1)--V 0.369494 0.947827
23 (E)--V 0.455734 0.646722
24 (E)--V 0.455734 0.646722
25 (A2)--V 0.552731 0.651683
26 (E)--V 0.566931 0.662699
27 (E)--V 0.566931 0.662699
28 (A1)--V 0.588556 0.667911
29 (E)--V 0.650305 1.106200
30 (E)--V 0.650305 1.106200
31 (A1)--V 0.661051 0.963612
32 (A1)--V 0.717509 1.328427
33 (E)--V 0.745134 0.978710
34 (E)--V 0.745134 0.978710
35 (E)--V 0.771487 1.116120
36 (E)--V 0.771487 1.116120
37 (A2)--V 0.825046 0.862348
38 (A1)--V 0.826130 1.132076
39 (E)--V 0.837647 1.109567
40 (E)--V 0.837647 1.109567
41 (A1)--V 0.852418 1.512188
42 (E)--V 0.930546 1.285219
43 (E)--V 0.930546 1.285219
44 (E)--V 0.976520 1.588606
45 (E)--V 0.976520 1.588606
46 (A1)--V 0.993041 1.522929
47 (A1)--V 1.013427 1.712617
48 (E)--V 1.118527 1.351566
49 (E)--V 1.118527 1.351566
50 (E)--V 1.367645 1.998684
51 (E)--V 1.367645 1.998684
52 (A1)--V 1.399146 2.116669
53 (A2)--V 1.412867 1.688907
54 (E)--V 1.446901 1.725873
55 (E)--V 1.446901 1.725873
56 (E)--V 1.503570 1.734509
57 (E)--V 1.505195 1.734509
58 (A1)--V 1.505195 1.771971
59 (E)--V 1.601989 1.911271
60 (E)--V 1.601989 1.911271
61 (E)--V 1.655664 1.888222
62 (E)--V 1.655664 1.888222
63 (A1)--V 1.670812 1.882066
64 (A1)--V 1.714142 1.961128
65 (A2)--V 1.733737 1.851260
66 (E)--V 1.763407 2.175637
67 (E)--V 1.763407 2.175637
68 (A1)--V 1.800892 2.412497
69 (A2)--V 1.869687 2.016588
70 (E)--V 1.950707 2.080939
71 (E)--V 1.950707 2.080939
72 (E)--V 2.037657 2.232193
73 (E)--V 2.037657 2.232193
74 (A1)--V 2.044809 2.330908
75 (E)--V 2.160761 2.371165
76 (E)--V 2.160761 2.371165
77 (A2)--V 2.174401 2.291112
78 (A1)--V 2.197131 2.611440
79 (E)--V 2.205142 3.311029
80 (E)--V 2.205142 3.311029
81 (A1)--V 2.260290 3.317741
82 (E)--V 2.301350 3.627374
83 (E)--V 2.301350 3.627374
84 (A1)--V 2.324127 3.155121
85 (E)--V 2.410816 2.614369
86 (E)--V 2.410816 2.614369
87 (E)--V 2.460551 2.870716
88 (E)--V 2.460551 2.870716
89 (A1)--V 2.523956 3.363788
90 (E)--V 2.732861 3.572064
91 (E)--V 2.732861 3.572064
92 (E)--V 2.918278 3.376438
93 (E)--V 2.918278 3.376438
94 (E)--V 2.943572 3.502504
95 (E)--V 2.943572 3.502504
96 (A1)--V 2.955208 3.901569
97 (E)--V 3.168525 4.076830
98 (E)--V 3.168525 4.076830
99 (A2)--V 3.216005 3.682489
100 (A1)--V 3.242850 4.185322
101 (E)--V 3.331663 4.058016
102 (E)--V 3.331663 4.058016
103 (A2)--V 3.351961 3.800930
104 (A1)--V 3.391172 4.281363
105 (E)--V 3.449144 3.995372
106 (E)--V 3.449144 3.995372
107 (A1)--V 3.481125 6.295808
108 (E)--V 3.584251 4.295252
109 (E)--V 3.584251 4.295252
110 (A2)--V 3.612789 3.847099
111 (A1)--V 3.661745 4.985946
112 (E)--V 3.805174 4.187451
113 (E)--V 3.805174 4.187451
114 (E)--V 3.856205 4.364647
115 (E)--V 3.856205 4.364647
116 (A2)--V 3.860290 4.073106
117 (A1)--V 3.868732 4.524351
118 (E)--V 3.938223 4.512142
119 (E)--V 3.938223 4.512142
120 (A1)--V 3.975905 4.667835
121 (E)--V 4.034809 4.622177
122 (E)--V 4.034809 4.622177
123 (A1)--V 4.132784 4.970280
124 (A2)--V 4.188970 4.736655
125 (A1)--V 4.202835 4.930928
126 (E)--V 4.225953 4.518260
127 (E)--V 4.225953 4.518260
128 (E)--V 4.304484 4.784689
129 (E)--V 4.304484 4.784689
130 (E)--V 4.352298 5.122829
131 (E)--V 4.352298 5.122829
132 (A1)--V 4.408351 5.399030
133 (E)--V 4.498605 5.110883
134 (E)--V 4.498605 5.110883
135 (E)--V 4.767045 5.640003
136 (E)--V 4.767045 5.640003
137 (A1)--V 4.847144 5.200749
138 (E)--V 4.952623 6.375995
139 (E)--V 4.952623 6.375995
140 (A1)--V 4.997400 7.012308
141 (A2)--V 5.044161 5.234394
142 (E)--V 5.060097 6.311217
143 (E)--V 5.060097 6.311217
144 (E)--V 5.088623 5.403826
145 (E)--V 5.088623 5.403826
146 (E)--V 5.147843 5.468397
147 (E)--V 5.147843 5.468397
148 (A1)--V 5.198584 6.265260
149 (E)--V 5.254832 5.889827
150 (E)--V 5.254832 5.889827
151 (A2)--V 5.300502 5.631071
152 (A1)--V 5.302161 7.387904
153 (A1)--V 5.369719 5.806254
154 (E)--V 5.374837 5.711845
155 (E)--V 5.374837 5.711845
156 (E)--V 5.462618 5.862274
157 (E)--V 5.462618 5.862274
158 (A2)--V 5.542542 5.885775
159 (E)--V 5.755568 6.223472
160 (E)--V 5.755568 6.223472
161 (A2)--V 5.924898 6.381502
162 (A1)--V 6.003961 6.700327
163 (E)--V 6.059977 6.889881
164 (E)--V 6.059977 6.889881
165 (E)--V 6.299995 7.826093
166 (E)--V 6.299995 7.826093
167 (A1)--V 6.448116 9.518503
168 (E)--V 6.461007 8.747801
169 (E)--V 6.461007 8.747801
170 (A1)--V 6.628095 8.223789
171 (E)--V 6.842960 7.952640
172 (E)--V 6.842960 7.952640
173 (A1)--V 6.983806 7.810782
174 (E)--V 7.066020 7.916986
175 (E)--V 7.066020 7.916986
176 (E)--V 7.240376 8.107781
177 (E)--V 7.240376 8.107781
178 (A2)--V 7.301900 7.813864
179 (A1)--V 8.468588 11.324496
180 (E)--V 8.677163 10.691235
181 (E)--V 8.677163 10.691235
182 (A2)--V 12.611809 13.014730
183 (E)--V 12.626185 13.121037
184 (E)--V 12.626185 13.121037
185 (E)--V 12.644072 13.092970
186 (E)--V 12.644072 13.092970
187 (A1)--V 12.649062 13.180767
188 (E)--V 12.661774 13.071821
189 (E)--V 12.661774 13.071821
190 (A2)--V 12.668313 13.052705
191 (A1)--V 12.686195 13.096481
192 (E)--V 12.686972 13.189326
193 (E)--V 12.686972 13.189326
194 (A2)--V 12.692079 13.040922
195 (E)--V 12.694895 13.048790
196 (E)--V 12.694895 13.048790
197 (A1)--V 12.708361 13.032962
198 (E)--V 12.717512 13.161372
199 (E)--V 12.717512 13.161372
200 (A2)--V 12.720697 13.107406
201 (A1)--V 12.730389 13.157124
202 (E)--V 12.733506 13.190585
203 (E)--V 12.733506 13.190585
204 (E)--V 12.762172 13.177146
205 (E)--V 12.762172 13.177146
206 (A2)--V 12.775681 13.117646
207 (E)--V 12.847804 13.392354
208 (E)--V 12.847804 13.392354
209 (A1)--V 12.853773 14.128321
210 (A1)--V 12.898066 13.574381
211 (E)--V 12.950240 13.333571
212 (E)--V 12.950240 13.333571
213 (E)--V 12.963217 13.321693
214 (E)--V 12.963217 13.321693
215 (A1)--V 13.224035 16.337688
216 (E)--V 13.276175 15.788445
217 (E)--V 13.276175 15.788445
218 (A1)--V 13.369618 13.940912
219 (E)--V 13.468439 14.247260
220 (E)--V 13.468439 14.247260
221 (E)--V 13.654888 14.564087
222 (E)--V 13.654888 14.564087
223 (A2)--V 13.708913 14.117533
224 (E)--V 13.865846 14.316909
225 (E)--V 13.865846 14.316909
226 (A2)--V 13.868269 14.318906
227 (A1)--V 13.868389 25.663116
228 (E)--V 13.898379 14.501171
229 (E)--V 13.898379 14.501171
230 (A1)--V 13.953643 19.393679
231 (E)--V 13.977639 14.791692
232 (E)--V 13.977639 14.791692
233 (A2)--V 14.022332 14.608338
234 (E)--V 14.036009 17.641854
235 (E)--V 14.036009 17.641854
236 (A1)--V 14.042893 14.648822
237 (E)--V 14.088739 14.682549
238 (E)--V 14.088739 14.682549
239 (A1)--V 14.265060 18.011082
240 (E)--V 14.370166 15.080140
241 (E)--V 14.370166 15.080140
242 (A2)--V 14.473027 15.155225
243 (A1)--V 14.507635 15.244690
244 (E)--V 14.584242 15.430362
245 (E)--V 14.584242 15.430362
246 (E)--V 15.327857 18.101422
247 (E)--V 15.327857 18.101422
248 (A1)--V 15.495467 17.351622
249 (E)--V 16.057017 33.144974
250 (E)--V 16.057017 33.144974
251 (A1)--V 17.376312 18.924248
252 (E)--V 17.445255 18.774492
253 (E)--V 17.445255 18.774492
254 (E)--V 17.576159 18.925795
255 (E)--V 17.576159 18.925795
256 (A2)--V 17.853632 19.188860
257 (A1)--V 18.356936 20.062351
258 (E)--V 18.496101 20.227223
259 (E)--V 18.496101 20.227223
260 (A1)--V 45.516392 74.220404
Total kinetic energy from orbitals= 2.916423856246D+02
Isotropic Fermi Contact Couplings
Atom a.u. MegaHertz Gauss 10(-4) cm-1
1 Si(29) 0.54187 -481.57699 -171.83864 -160.63679
2 H(1) 0.00786 35.13567 12.53728 11.72000
3 H(1) 0.00786 35.13567 12.53728 11.72000
4 H(1) 0.00786 35.13567 12.53728 11.72000
--------------------------------------------------------
Center ---- Spin Dipole Couplings ----
3XX-RR 3YY-RR 3ZZ-RR
--------------------------------------------------------
1 Atom -0.667801 -0.667801 1.335603
2 Atom -0.016506 0.009856 0.006650
3 Atom 0.003266 -0.009915 0.006650
4 Atom 0.003266 -0.009915 0.006650
--------------------------------------------------------
XY XZ YZ
--------------------------------------------------------
1 Atom 0.000000 0.000000 0.000000
2 Atom 0.000000 0.000000 -0.011333
3 Atom -0.011415 -0.009814 0.005666
4 Atom 0.011415 0.009814 0.005666
--------------------------------------------------------
---------------------------------------------------------------------------------
Anisotropic Spin Dipole Couplings in Principal Axis System
---------------------------------------------------------------------------------
Atom a.u. MegaHertz Gauss 10(-4) cm-1 Axes
Baa -0.6678 70.843 25.279 23.631 1.0000 -0.0001 0.0000
1 Si(29) Bbb -0.6678 70.843 25.279 23.631 0.0001 1.0000 0.0000
Bcc 1.3356 -141.686 -50.557 -47.261 0.0000 0.0000 1.0000
Baa -0.0165 -8.807 -3.142 -2.938 1.0000 0.0000 0.0000
2 H(1) Bbb -0.0032 -1.703 -0.608 -0.568 0.0000 0.6557 0.7550
Bcc 0.0197 10.510 3.750 3.506 0.0000 0.7550 -0.6557
Baa -0.0165 -8.807 -3.142 -2.938 0.5000 0.8660 0.0000
3 H(1) Bbb -0.0032 -1.703 -0.608 -0.568 0.5679 -0.3279 0.7550
Bcc 0.0197 10.510 3.750 3.506 -0.6539 0.3775 0.6557
Baa -0.0165 -8.807 -3.142 -2.938 -0.5000 0.8660 0.0000
4 H(1) Bbb -0.0032 -1.703 -0.608 -0.568 -0.5679 -0.3279 0.7550
Bcc 0.0197 10.510 3.750 3.506 0.6539 0.3775 0.6557
---------------------------------------------------------------------------------
No NMR shielding tensors so no spin-rotation constants.
Leave Link 601 at Fri Apr 5 10:39:42 2019, MaxMem= 13421772800 cpu: 31.2
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l9999.exe)
1\1\GINC-COMPUTE-3-5\SP\ROCCSD(T)-FC\CC-pV5Z\H3Si1(2)\LOOS\05-Apr-2019
\0\\#p ROCCSD(T) cc-pV5Z pop=full gfprint\\G2\\0,2\Si\X,1,1.\H,1,1.484
80778,2,107.89090342\H,1,1.48480778,2,107.89090342,3,120.,0\H,1,1.4848
0778,2,107.89090342,3,-120.,0\\Version=ES64L-G09RevD.01\State=2-A1\HF=
-290.644936\MP2=-290.7738522\MP3=-290.7921665\PUHF=-290.644936\PMP2-0=
-290.7738522\MP4SDQ=-290.7959265\CCSD=-290.7971429\CCSD(T)=-290.801253
5\RMSD=6.163e-09\PG=C03V [C3(Si1),3SGV(H1)]\\@
In the beginning there was nothing, which exploded.
Job cpu time: 1 days 15 hours 57 minutes 8.8 seconds.
File lengths (MBytes): RWF= 2241 Int= 0 D2E= 0 Chk= 6 Scr= 1
Normal termination of Gaussian 09 at Fri Apr 5 10:39:43 2019.
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