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srDFT_G2/G09/Large_core/Molecules/v5z/PH3.out
Pierre-Francois Loos 25322128fa v5z
2019-04-05 09:54:46 +02:00

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Entering Gaussian System, Link 0=g09
Input=PH3.inp
Output=PH3.out
Initial command:
/share/apps/gaussian/g09d01/nehalem/g09/l1.exe "/mnt/beegfs/tmpdir/42440/Gau-146587.inp" -scrdir="/mnt/beegfs/tmpdir/42440/"
Entering Link 1 = /share/apps/gaussian/g09d01/nehalem/g09/l1.exe PID= 146588.
Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2013,
Gaussian, Inc. All Rights Reserved.
This is part of the Gaussian(R) 09 program. It is based on
the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
University), and the Gaussian 82(TM) system (copyright 1983,
Carnegie Mellon University). Gaussian is a federally registered
trademark of Gaussian, Inc.
This software contains proprietary and confidential information,
including trade secrets, belonging to Gaussian, Inc.
This software is provided under written license and may be
used, copied, transmitted, or stored only in accord with that
written license.
The following legend is applicable only to US Government
contracts under FAR:
RESTRICTED RIGHTS LEGEND
Use, reproduction and disclosure by the US Government is
subject to restrictions as set forth in subparagraphs (a)
and (c) of the Commercial Computer Software - Restricted
Rights clause in FAR 52.227-19.
Gaussian, Inc.
340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
---------------------------------------------------------------
Warning -- This program may not be used in any manner that
competes with the business of Gaussian, Inc. or will provide
assistance to any competitor of Gaussian, Inc. The licensee
of this program is prohibited from giving any competitor of
Gaussian, Inc. access to this program. By using this program,
the user acknowledges that Gaussian, Inc. is engaged in the
business of creating and licensing software in the field of
computational chemistry and represents and warrants to the
licensee that it is not a competitor of Gaussian, Inc. and that
it will not use this program in any manner prohibited above.
---------------------------------------------------------------
Cite this work as:
Gaussian 09, Revision D.01,
M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria,
M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci,
G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian,
A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada,
M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima,
Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery, Jr.,
J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers,
K. N. Kudin, V. N. Staroverov, T. Keith, R. Kobayashi, J. Normand,
K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi,
M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, J. B. Cross,
V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann,
O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski,
R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth,
P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels,
O. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski,
and D. J. Fox, Gaussian, Inc., Wallingford CT, 2013.
******************************************
Gaussian 09: ES64L-G09RevD.01 24-Apr-2013
4-Apr-2019
******************************************
%nproc=24
Will use up to 24 processors via shared memory.
%mem=100GB
-------------------------------------
#p ROCCSD(T) 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 Thu Apr 4 13:50:17 2019, MaxMem= 13421772800 cpu: 1.6
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l101.exe)
--
G2
--
Symbolic Z-matrix:
Charge = 0 Multiplicity = 1
P
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 1.42206
BETA 122.94861
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= 31 1 1 1
AtmWgt= 30.9737634 1.0078250 1.0078250 1.0078250
NucSpn= 1 1 1 1
AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000
NQMom= 0.0000000 0.0000000 0.0000000 0.0000000
NMagM= 1.1316000 2.7928460 2.7928460 2.7928460
AtZNuc= 15.0000000 1.0000000 1.0000000 1.0000000
Leave Link 101 at Thu Apr 4 13:50:17 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 15 0 0.000000 0.000000 0.000000
2 1 0 1.193330 0.000000 -0.773437
3 1 0 -0.596665 -1.033455 -0.773437
4 1 0 -0.596665 1.033455 -0.773437
---------------------------------------------------------------------
Distance matrix (angstroms):
1 2 3 4
1 P 0.000000
2 H 1.422056 0.000000
3 H 1.422056 2.066909 0.000000
4 H 1.422056 2.066909 2.066909 0.000000
Stoichiometry H3P
Framework group C3V[C3(P),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 15 0 0.000000 0.000000 0.128906
2 1 0 0.000000 1.193330 -0.644531
3 1 0 1.033455 -0.596665 -0.644531
4 1 0 -1.033455 -0.596665 -0.644531
---------------------------------------------------------------------
Rotational constants (GHZ): 132.9742016 132.9742016 117.3787103
Leave Link 202 at Thu Apr 4 13:50:17 2019, MaxMem= 13421772800 cpu: 0.3
(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 P1 Shell 1 S 14 bf 1 - 1 0.000000000000 0.000000000000 0.243597362076
0.4666000000D+07 0.1970939172D-05
0.6986000000D+06 0.1530658335D-04
0.1590000000D+06 0.8051472125D-04
0.4504000000D+05 0.3398853189D-03
0.1472000000D+05 0.1233440698D-02
0.5323000000D+04 0.4015156035D-02
0.2076000000D+04 0.1191747314D-01
0.8611000000D+03 0.3226437227D-01
0.3757000000D+03 0.7869568366D-01
0.1708000000D+03 0.1665160497D+00
0.8029000000D+02 0.2831159759D+00
0.3877000000D+02 0.3319569478D+00
0.1893000000D+02 0.2033149624D+00
0.8796000000D+01 0.3846992737D-01
Atom P1 Shell 2 S 10 bf 2 - 2 0.000000000000 0.000000000000 0.243597362076
0.5323000000D+04 -0.1935584121D-04
0.2076000000D+04 -0.8439863534D-04
0.8611000000D+03 -0.7561356282D-03
0.3757000000D+03 -0.3657688669D-02
0.1708000000D+03 -0.1870196433D-01
0.8029000000D+02 -0.6665435337D-01
0.3877000000D+02 -0.1874272882D+00
0.1893000000D+02 -0.2104816355D+00
0.8796000000D+01 0.2520346022D+00
0.4358000000D+01 0.9770389603D+00
Atom P1 Shell 3 S 8 bf 3 - 3 0.000000000000 0.000000000000 0.243597362076
0.8611000000D+03 -0.5260530365D-04
0.1708000000D+03 -0.5028365801D-03
0.8029000000D+02 0.1503583748D-03
0.3877000000D+02 -0.5443116137D-03
0.1893000000D+02 0.9644251458D-02
0.8796000000D+01 -0.1907964846D-01
0.4358000000D+01 -0.1485773861D+00
0.2174000000D+01 -0.8526413233D+00
Atom P1 Shell 4 S 1 bf 4 - 4 0.000000000000 0.000000000000 0.243597362076
0.1095000000D+01 0.1000000000D+01
Atom P1 Shell 5 S 1 bf 5 - 5 0.000000000000 0.000000000000 0.243597362076
0.4400000000D+00 0.1000000000D+01
Atom P1 Shell 6 S 1 bf 6 - 6 0.000000000000 0.000000000000 0.243597362076
0.1945000000D+00 0.1000000000D+01
Atom P1 Shell 7 S 1 bf 7 - 7 0.000000000000 0.000000000000 0.243597362076
0.8376000000D-01 0.1000000000D+01
Atom P1 Shell 8 P 7 bf 8 - 10 0.000000000000 0.000000000000 0.243597362076
0.2010000000D+04 0.4450465292D-03
0.4763000000D+03 0.3718613079D-02
0.1544000000D+03 0.2049128349D-01
0.5851000000D+02 0.7442901218D-01
0.2440000000D+02 0.2087777832D+00
0.1080000000D+02 0.3601564470D+00
0.4913000000D+01 0.4859836581D+00
Atom P1 Shell 9 P 6 bf 11 - 13 0.000000000000 0.000000000000 0.243597362076
0.1544000000D+03 0.3366361462D-03
0.5851000000D+02 -0.5157379582D-02
0.2440000000D+02 -0.2794246488D-01
0.1080000000D+02 -0.1477521304D+00
0.4913000000D+01 -0.2557346155D+00
0.2269000000D+01 -0.6656291596D+00
Atom P1 Shell 10 P 1 bf 14 - 16 0.000000000000 0.000000000000 0.243597362076
0.1043000000D+01 0.1000000000D+01
Atom P1 Shell 11 P 1 bf 17 - 19 0.000000000000 0.000000000000 0.243597362076
0.4313000000D+00 0.1000000000D+01
Atom P1 Shell 12 P 1 bf 20 - 22 0.000000000000 0.000000000000 0.243597362076
0.1767000000D+00 0.1000000000D+01
Atom P1 Shell 13 P 1 bf 23 - 25 0.000000000000 0.000000000000 0.243597362076
0.7009000000D-01 0.1000000000D+01
Atom P1 Shell 14 D 1 bf 26 - 30 0.000000000000 0.000000000000 0.243597362076
0.1660000000D+00 0.1000000000D+01
Atom P1 Shell 15 D 1 bf 31 - 35 0.000000000000 0.000000000000 0.243597362076
0.4180000000D+00 0.1000000000D+01
Atom P1 Shell 16 D 1 bf 36 - 40 0.000000000000 0.000000000000 0.243597362076
0.1054000000D+01 0.1000000000D+01
Atom P1 Shell 17 D 1 bf 41 - 45 0.000000000000 0.000000000000 0.243597362076
0.2656000000D+01 0.1000000000D+01
Atom P1 Shell 18 F 1 bf 46 - 52 0.000000000000 0.000000000000 0.243597362076
0.2190000000D+00 0.1000000000D+01
Atom P1 Shell 19 F 1 bf 53 - 59 0.000000000000 0.000000000000 0.243597362076
0.4500000000D+00 0.1000000000D+01
Atom P1 Shell 20 F 1 bf 60 - 66 0.000000000000 0.000000000000 0.243597362076
0.9230000000D+00 0.1000000000D+01
Atom P1 Shell 21 G 1 bf 67 - 75 0.000000000000 0.000000000000 0.243597362076
0.4120000000D+00 0.1000000000D+01
Atom P1 Shell 22 G 1 bf 76 - 84 0.000000000000 0.000000000000 0.243597362076
0.9030000000D+00 0.1000000000D+01
Atom P1 Shell 23 H 1 bf 85 - 95 0.000000000000 0.000000000000 0.243597362076
0.7450000000D+00 0.1000000000D+01
Atom H2 Shell 24 S 4 bf 96 - 96 0.000000000000 2.255067787720 -1.217986810379
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 2.255067787720 -1.217986810379
0.1283000000D+01 0.1000000000D+01
Atom H2 Shell 26 S 1 bf 98 - 98 0.000000000000 2.255067787720 -1.217986810379
0.4655000000D+00 0.1000000000D+01
Atom H2 Shell 27 S 1 bf 99 - 99 0.000000000000 2.255067787720 -1.217986810379
0.1811000000D+00 0.1000000000D+01
Atom H2 Shell 28 S 1 bf 100 - 100 0.000000000000 2.255067787720 -1.217986810379
0.7279000000D-01 0.1000000000D+01
Atom H2 Shell 29 P 1 bf 101 - 103 0.000000000000 2.255067787720 -1.217986810379
0.4516000000D+01 0.1000000000D+01
Atom H2 Shell 30 P 1 bf 104 - 106 0.000000000000 2.255067787720 -1.217986810379
0.1712000000D+01 0.1000000000D+01
Atom H2 Shell 31 P 1 bf 107 - 109 0.000000000000 2.255067787720 -1.217986810379
0.6490000000D+00 0.1000000000D+01
Atom H2 Shell 32 P 1 bf 110 - 112 0.000000000000 2.255067787720 -1.217986810379
0.2460000000D+00 0.1000000000D+01
Atom H2 Shell 33 D 1 bf 113 - 117 0.000000000000 2.255067787720 -1.217986810379
0.2950000000D+01 0.1000000000D+01
Atom H2 Shell 34 D 1 bf 118 - 122 0.000000000000 2.255067787720 -1.217986810379
0.1206000000D+01 0.1000000000D+01
Atom H2 Shell 35 D 1 bf 123 - 127 0.000000000000 2.255067787720 -1.217986810379
0.4930000000D+00 0.1000000000D+01
Atom H2 Shell 36 F 1 bf 128 - 134 0.000000000000 2.255067787720 -1.217986810379
0.2506000000D+01 0.1000000000D+01
Atom H2 Shell 37 F 1 bf 135 - 141 0.000000000000 2.255067787720 -1.217986810379
0.8750000000D+00 0.1000000000D+01
Atom H2 Shell 38 G 1 bf 142 - 150 0.000000000000 2.255067787720 -1.217986810379
0.2358000000D+01 0.1000000000D+01
Atom H3 Shell 39 S 4 bf 151 - 151 1.952945991421 -1.127533893860 -1.217986810379
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 1.952945991421 -1.127533893860 -1.217986810379
0.1283000000D+01 0.1000000000D+01
Atom H3 Shell 41 S 1 bf 153 - 153 1.952945991421 -1.127533893860 -1.217986810379
0.4655000000D+00 0.1000000000D+01
Atom H3 Shell 42 S 1 bf 154 - 154 1.952945991421 -1.127533893860 -1.217986810379
0.1811000000D+00 0.1000000000D+01
Atom H3 Shell 43 S 1 bf 155 - 155 1.952945991421 -1.127533893860 -1.217986810379
0.7279000000D-01 0.1000000000D+01
Atom H3 Shell 44 P 1 bf 156 - 158 1.952945991421 -1.127533893860 -1.217986810379
0.4516000000D+01 0.1000000000D+01
Atom H3 Shell 45 P 1 bf 159 - 161 1.952945991421 -1.127533893860 -1.217986810379
0.1712000000D+01 0.1000000000D+01
Atom H3 Shell 46 P 1 bf 162 - 164 1.952945991421 -1.127533893860 -1.217986810379
0.6490000000D+00 0.1000000000D+01
Atom H3 Shell 47 P 1 bf 165 - 167 1.952945991421 -1.127533893860 -1.217986810379
0.2460000000D+00 0.1000000000D+01
Atom H3 Shell 48 D 1 bf 168 - 172 1.952945991421 -1.127533893860 -1.217986810379
0.2950000000D+01 0.1000000000D+01
Atom H3 Shell 49 D 1 bf 173 - 177 1.952945991421 -1.127533893860 -1.217986810379
0.1206000000D+01 0.1000000000D+01
Atom H3 Shell 50 D 1 bf 178 - 182 1.952945991421 -1.127533893860 -1.217986810379
0.4930000000D+00 0.1000000000D+01
Atom H3 Shell 51 F 1 bf 183 - 189 1.952945991421 -1.127533893860 -1.217986810379
0.2506000000D+01 0.1000000000D+01
Atom H3 Shell 52 F 1 bf 190 - 196 1.952945991421 -1.127533893860 -1.217986810379
0.8750000000D+00 0.1000000000D+01
Atom H3 Shell 53 G 1 bf 197 - 205 1.952945991421 -1.127533893860 -1.217986810379
0.2358000000D+01 0.1000000000D+01
Atom H4 Shell 54 S 4 bf 206 - 206 -1.952945991421 -1.127533893860 -1.217986810379
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 -1.952945991421 -1.127533893860 -1.217986810379
0.1283000000D+01 0.1000000000D+01
Atom H4 Shell 56 S 1 bf 208 - 208 -1.952945991421 -1.127533893860 -1.217986810379
0.4655000000D+00 0.1000000000D+01
Atom H4 Shell 57 S 1 bf 209 - 209 -1.952945991421 -1.127533893860 -1.217986810379
0.1811000000D+00 0.1000000000D+01
Atom H4 Shell 58 S 1 bf 210 - 210 -1.952945991421 -1.127533893860 -1.217986810379
0.7279000000D-01 0.1000000000D+01
Atom H4 Shell 59 P 1 bf 211 - 213 -1.952945991421 -1.127533893860 -1.217986810379
0.4516000000D+01 0.1000000000D+01
Atom H4 Shell 60 P 1 bf 214 - 216 -1.952945991421 -1.127533893860 -1.217986810379
0.1712000000D+01 0.1000000000D+01
Atom H4 Shell 61 P 1 bf 217 - 219 -1.952945991421 -1.127533893860 -1.217986810379
0.6490000000D+00 0.1000000000D+01
Atom H4 Shell 62 P 1 bf 220 - 222 -1.952945991421 -1.127533893860 -1.217986810379
0.2460000000D+00 0.1000000000D+01
Atom H4 Shell 63 D 1 bf 223 - 227 -1.952945991421 -1.127533893860 -1.217986810379
0.2950000000D+01 0.1000000000D+01
Atom H4 Shell 64 D 1 bf 228 - 232 -1.952945991421 -1.127533893860 -1.217986810379
0.1206000000D+01 0.1000000000D+01
Atom H4 Shell 65 D 1 bf 233 - 237 -1.952945991421 -1.127533893860 -1.217986810379
0.4930000000D+00 0.1000000000D+01
Atom H4 Shell 66 F 1 bf 238 - 244 -1.952945991421 -1.127533893860 -1.217986810379
0.2506000000D+01 0.1000000000D+01
Atom H4 Shell 67 F 1 bf 245 - 251 -1.952945991421 -1.127533893860 -1.217986810379
0.8750000000D+00 0.1000000000D+01
Atom H4 Shell 68 G 1 bf 252 - 260 -1.952945991421 -1.127533893860 -1.217986810379
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 9 beta electrons
nuclear repulsion energy 17.5135284332 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 Thu Apr 4 13:50:17 2019, MaxMem= 13421772800 cpu: 1.3
(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= 8.94D-05 NBF= 149 111
NBsUse= 260 1.00D-06 EigRej= -1.00D+00 NBFU= 149 111
Leave Link 302 at Thu Apr 4 13:50:18 2019, MaxMem= 13421772800 cpu: 10.0
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l303.exe)
DipDrv: MaxL=1.
Leave Link 303 at Thu Apr 4 13:50:18 2019, MaxMem= 13421772800 cpu: 1.1
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l401.exe)
ExpMin= 7.01D-02 ExpMax= 4.67D+06 ExpMxC= 2.08D+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= -342.228722526911
JPrj=0 DoOrth=F DoCkMO=F.
Initial guess orbital symmetries:
Occupied (A1) (A1) (E) (E) (A1) (A1) (E) (E) (A1)
Virtual (E) (E) (A1) (E) (E) (A1) (A1) (E) (E) (E) (E)
(A1) (A1) (E) (E) (A2) (E) (E) (E) (E) (A1) (A1)
(A1) (E) (E) (A1) (E) (E) (E) (E) (A2) (A1) (A1)
(E) (E) (E) (E) (A1) (E) (E) (E) (E) (A2) (E)
(E) (E) (E) (A1) (A1) (E) (E) (A1) (E) (E) (A2)
(A1) (E) (E) (A2) (A1) (E) (E) (E) (E) (E) (E)
(A1) (E) (E) (E) (E) (A1) (A2) (A1) (A1) (E) (E)
(A1) (E) (E) (E) (E) (A2) (E) (E) (A1) (E) (E)
(A1) (E) (E) (E) (E) (A1) (E) (E) (A2) (A2) (E)
(E) (E) (E) (A1) (A1) (E) (E) (E) (E) (A2) (A1)
(A1) (E) (E) (A2) (E) (E) (A1) (E) (E) (E) (E)
(A1) (E) (E) (E) (E) (A1) (E) (E) (A2) (A1) (E)
(E) (A1) (E) (E) (A1) (E) (E) (A1) (A2) (E) (E)
(A1) (E) (E) (E) (E) (A2) (A1) (E) (E) (A2) (E)
(E) (E) (E) (A1) (E) (E) (A1) (E) (E) (A2) (E)
(E) (A1) (E) (E) (A1) (E) (E) (A2) (E) (E) (E)
(E) (A1) (A1) (E) (E) (A2) (E) (E) (A1) (E) (E)
(A2) (E) (E) (E) (E) (A2) (A1) (E) (E) (E) (E)
(E) (E) (A2) (A1) (E) (E) (A1) (E) (E) (A2) (A1)
(E) (E) (A1) (E) (E) (E) (E) (A2) (A1) (E) (E)
(A1) (E) (E) (A1) (E) (E) (A2) (E) (E) (E) (E)
(A1) (E) (E) (A2) (E) (E) (A1) (A1) (E) (E) (A2)
(E) (E) (A1) (E) (E) (A1) (E) (E) (A1)
The electronic state of the initial guess is 1-A1.
Leave Link 401 at Thu Apr 4 13:50:18 2019, MaxMem= 13421772800 cpu: 16.3
(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= -342.459269655772
DIIS: error= 3.93D-02 at cycle 1 NSaved= 1.
NSaved= 1 IEnMin= 1 EnMin= -342.459269655772 IErMin= 1 ErrMin= 3.93D-02
ErrMax= 3.93D-02 0.00D+00 EMaxC= 1.00D-01 BMatC= 1.45D-01 BMatP= 1.45D-01
IDIUse=3 WtCom= 6.07D-01 WtEn= 3.93D-01
Coeff-Com: 0.100D+01
Coeff-En: 0.100D+01
Coeff: 0.100D+01
Gap= 0.539 Goal= None Shift= 0.000
GapD= 0.539 DampG=2.000 DampE=0.500 DampFc=1.0000 IDamp=-1.
RMSDP=8.91D-04 MaxDP=4.32D-02 OVMax= 4.73D-02
Cycle 2 Pass 1 IDiag 1:
E= -342.492949674489 Delta-E= -0.033680018718 Rises=F Damp=F
DIIS: error= 2.24D-03 at cycle 2 NSaved= 2.
NSaved= 2 IEnMin= 2 EnMin= -342.492949674489 IErMin= 2 ErrMin= 2.24D-03
ErrMax= 2.24D-03 0.00D+00 EMaxC= 1.00D-01 BMatC= 1.55D-03 BMatP= 1.45D-01
IDIUse=3 WtCom= 9.78D-01 WtEn= 2.24D-02
Coeff-Com: -0.464D-01 0.105D+01
Coeff-En: 0.000D+00 0.100D+01
Coeff: -0.453D-01 0.105D+01
Gap= 0.480 Goal= None Shift= 0.000
RMSDP=1.30D-04 MaxDP=1.18D-02 DE=-3.37D-02 OVMax= 1.07D-02
Cycle 3 Pass 1 IDiag 1:
E= -342.493841917402 Delta-E= -0.000892242913 Rises=F Damp=F
DIIS: error= 5.76D-04 at cycle 3 NSaved= 3.
NSaved= 3 IEnMin= 3 EnMin= -342.493841917402 IErMin= 3 ErrMin= 5.76D-04
ErrMax= 5.76D-04 0.00D+00 EMaxC= 1.00D-01 BMatC= 3.54D-05 BMatP= 1.55D-03
IDIUse=3 WtCom= 9.94D-01 WtEn= 5.76D-03
Coeff-Com: -0.587D-02 0.296D-01 0.976D+00
Coeff-En: 0.000D+00 0.000D+00 0.100D+01
Coeff: -0.584D-02 0.294D-01 0.976D+00
Gap= 0.477 Goal= None Shift= 0.000
RMSDP=2.52D-05 MaxDP=1.95D-03 DE=-8.92D-04 OVMax= 3.39D-03
Cycle 4 Pass 1 IDiag 1:
E= -342.493922764084 Delta-E= -0.000080846682 Rises=F Damp=F
DIIS: error= 2.45D-04 at cycle 4 NSaved= 4.
NSaved= 4 IEnMin= 4 EnMin= -342.493922764084 IErMin= 4 ErrMin= 2.45D-04
ErrMax= 2.45D-04 0.00D+00 EMaxC= 1.00D-01 BMatC= 4.96D-06 BMatP= 3.54D-05
IDIUse=3 WtCom= 9.98D-01 WtEn= 2.45D-03
Coeff-Com: 0.106D-02-0.233D-01-0.121D+00 0.114D+01
Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.100D+01
Coeff: 0.106D-02-0.232D-01-0.121D+00 0.114D+01
Gap= 0.478 Goal= None Shift= 0.000
RMSDP=1.11D-05 MaxDP=9.40D-04 DE=-8.08D-05 OVMax= 1.74D-03
Cycle 5 Pass 1 IDiag 1:
E= -342.493936775674 Delta-E= -0.000014011591 Rises=F Damp=F
DIIS: error= 6.74D-05 at cycle 5 NSaved= 5.
NSaved= 5 IEnMin= 5 EnMin= -342.493936775674 IErMin= 5 ErrMin= 6.74D-05
ErrMax= 6.74D-05 0.00D+00 EMaxC= 1.00D-01 BMatC= 4.67D-07 BMatP= 4.96D-06
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
Coeff-Com: 0.103D-02-0.102D-01-0.968D-01 0.551D-02 0.110D+01
Coeff: 0.103D-02-0.102D-01-0.968D-01 0.551D-02 0.110D+01
Gap= 0.478 Goal= None Shift= 0.000
RMSDP=4.09D-06 MaxDP=2.47D-04 DE=-1.40D-05 OVMax= 7.03D-04
Cycle 6 Pass 1 IDiag 1:
E= -342.493938326264 Delta-E= -0.000001550589 Rises=F Damp=F
DIIS: error= 9.66D-06 at cycle 6 NSaved= 6.
NSaved= 6 IEnMin= 6 EnMin= -342.493938326264 IErMin= 6 ErrMin= 9.66D-06
ErrMax= 9.66D-06 0.00D+00 EMaxC= 1.00D-01 BMatC= 1.21D-08 BMatP= 4.67D-07
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
Coeff-Com: -0.191D-03 0.263D-02 0.167D-01-0.443D-01-0.142D+00 0.117D+01
Coeff: -0.191D-03 0.263D-02 0.167D-01-0.443D-01-0.142D+00 0.117D+01
Gap= 0.478 Goal= None Shift= 0.000
RMSDP=7.61D-07 MaxDP=3.48D-05 DE=-1.55D-06 OVMax= 1.18D-04
Cycle 7 Pass 1 IDiag 1:
E= -342.493938361774 Delta-E= -0.000000035510 Rises=F Damp=F
DIIS: error= 1.88D-06 at cycle 7 NSaved= 7.
NSaved= 7 IEnMin= 7 EnMin= -342.493938361774 IErMin= 7 ErrMin= 1.88D-06
ErrMax= 1.88D-06 0.00D+00 EMaxC= 1.00D-01 BMatC= 3.63D-10 BMatP= 1.21D-08
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
Coeff-Com: 0.297D-05-0.201D-03-0.149D-03 0.991D-02-0.153D-01-0.206D+00
Coeff-Com: 0.121D+01
Coeff: 0.297D-05-0.201D-03-0.149D-03 0.991D-02-0.153D-01-0.206D+00
Coeff: 0.121D+01
Gap= 0.478 Goal= None Shift= 0.000
RMSDP=2.21D-07 MaxDP=1.39D-05 DE=-3.55D-08 OVMax= 1.70D-05
Cycle 8 Pass 1 IDiag 1:
E= -342.493938362762 Delta-E= -0.000000000988 Rises=F Damp=F
DIIS: error= 2.87D-07 at cycle 8 NSaved= 8.
NSaved= 8 IEnMin= 8 EnMin= -342.493938362762 IErMin= 8 ErrMin= 2.87D-07
ErrMax= 2.87D-07 0.00D+00 EMaxC= 1.00D-01 BMatC= 6.39D-12 BMatP= 3.63D-10
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
Coeff-Com: 0.372D-05-0.500D-04-0.406D-03 0.549D-03 0.506D-02-0.259D-01
Coeff-Com: -0.279D-01 0.105D+01
Coeff: 0.372D-05-0.500D-04-0.406D-03 0.549D-03 0.506D-02-0.259D-01
Coeff: -0.279D-01 0.105D+01
Gap= 0.478 Goal= None Shift= 0.000
RMSDP=3.36D-08 MaxDP=1.73D-06 DE=-9.88D-10 OVMax= 2.32D-06
Cycle 9 Pass 1 IDiag 1:
E= -342.493938362771 Delta-E= -0.000000000009 Rises=F Damp=F
DIIS: error= 1.03D-07 at cycle 9 NSaved= 9.
NSaved= 9 IEnMin= 9 EnMin= -342.493938362771 IErMin= 9 ErrMin= 1.03D-07
ErrMax= 1.03D-07 0.00D+00 EMaxC= 1.00D-01 BMatC= 3.56D-13 BMatP= 6.39D-12
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
Coeff-Com: -0.143D-05 0.259D-04 0.164D-03-0.672D-03-0.108D-02 0.185D-01
Coeff-Com: -0.512D-01-0.227D+00 0.126D+01
Coeff: -0.143D-05 0.259D-04 0.164D-03-0.672D-03-0.108D-02 0.185D-01
Coeff: -0.512D-01-0.227D+00 0.126D+01
Gap= 0.478 Goal= None Shift= 0.000
RMSDP=7.23D-09 MaxDP=4.32D-07 DE=-9.21D-12 OVMax= 4.85D-07
SCF Done: E(ROHF) = -342.493938363 A.U. after 9 cycles
NFock= 9 Conv=0.72D-08 -V/T= 2.0001
<Sx>= 0.0000 <Sy>= 0.0000 <Sz>= 0.0000 <S**2>= 0.0000 S= 0.0000
<L.S>= 0.000000000000E+00
KE= 3.424444969858D+02 PE=-8.507452394192D+02 EE= 1.482932756374D+02
Annihilation of the first spin contaminant:
S**2 before annihilation 0.0000, after 0.0000
Leave Link 502 at Thu Apr 4 13:50:36 2019, MaxMem= 13421772800 cpu: 424.7
(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>= 0.0000 <S**2>= 0.0000 S= 0.0000
ExpMin= 7.01D-02 ExpMax= 4.67D+06 ExpMxC= 2.08D+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 5.17D-04
Largest core mixing into a valence orbital is 1.40D-04
Largest valence mixing into a core orbital is 5.17D-04
Largest core mixing into a valence orbital is 1.40D-04
Range of M.O.s used for correlation: 6 260
NBasis= 260 NAE= 9 NBE= 9 NFC= 5 NFV= 0
NROrb= 255 NOA= 4 NOB= 4 NVA= 251 NVB= 251
**** Warning!!: The largest alpha MO coefficient is 0.36192101D+02
**** Warning!!: The largest beta MO coefficient is 0.36192101D+02
Singles contribution to E2= -0.1118540977D-13
Leave Link 801 at Thu Apr 4 13:50:43 2019, MaxMem= 13421772800 cpu: 164.5
(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= 13419613333
LASXX= 16367412 LTotXX= 16367412 LenRXX= 32941792
LTotAB= 16574380 MaxLAS= 41268180 LenRXY= 0
NonZer= 49309204 LenScr= 74448896 LnRSAI= 41268180
LnScr1= 62390272 LExtra= 0 Total= 211049140
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= 4 LenV= 13419613333
LASXX= 16367412 LTotXX= 16367412 LenRXX= 32425244
LTotAB= 16057832 MaxLAS= 41268180 LenRXY= 0
NonZer= 48792656 LenScr= 73728000 LnRSAI= 41268180
LnScr1= 62390272 LExtra= 0 Total= 209811696
MaxDsk= -1 SrtSym= T ITran= 4
DoSDTr: NPSUse= 24
JobTyp=2 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.
Spin components of T(2) and E(2):
alpha-alpha T2 = 0.6864955368D-02 E2= -0.1454248639D-01
alpha-beta T2 = 0.6148564032D-01 E2= -0.1580039200D+00
beta-beta T2 = 0.6864955368D-02 E2= -0.1454248639D-01
ANorm= 0.1036926010D+01
E2 = -0.1870888928D+00 EUMP2 = -0.34268102725558D+03
(S**2,0)= 0.00000D+00 (S**2,1)= 0.00000D+00
E(PUHF)= -0.34249393836D+03 E(PMP2)= -0.34268102726D+03
Leave Link 804 at Thu Apr 4 13:51:07 2019, MaxMem= 13421772800 cpu: 576.1
(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= 44
NAB= 16 NAA= 6 NBB= 6.
DD1Dir will call FoFMem 1 times, MxPair= 44
NAB= 16 NAA= 6 NBB= 6.
MP4(R+Q)= 0.26795791D-01
Maximum subspace dimension= 5
Norm of the A-vectors is 5.0061442D-02 conv= 1.00D-05.
RLE energy= -0.1819290908
E3= -0.21489648D-01 EROMP3= -0.34270251690D+03
E4(SDQ)= -0.24469160D-02 ROMP4(SDQ)= -0.34270496382D+03
VARIATIONAL ENERGIES WITH THE FIRST-ORDER WAVEFUNCTION:
DE(Corr)= -0.18178275 E(Corr)= -342.67572111
NORM(A)= 0.10344368D+01
Iteration Nr. 2
**********************
DD1Dir will call FoFMem 1 times, MxPair= 44
NAB= 16 NAA= 6 NBB= 6.
Norm of the A-vectors is 2.3563633D-01 conv= 1.00D-05.
RLE energy= -0.1858388409
DE(Corr)= -0.20276396 E(CORR)= -342.69670232 Delta=-2.10D-02
NORM(A)= 0.10364182D+01
Iteration Nr. 3
**********************
DD1Dir will call FoFMem 1 times, MxPair= 44
NAB= 16 NAA= 6 NBB= 6.
Norm of the A-vectors is 2.0445985D-01 conv= 1.00D-05.
RLE energy= -0.2012465524
DE(Corr)= -0.20390381 E(CORR)= -342.69784218 Delta=-1.14D-03
NORM(A)= 0.10456363D+01
Iteration Nr. 4
**********************
DD1Dir will call FoFMem 1 times, MxPair= 44
NAB= 16 NAA= 6 NBB= 6.
Norm of the A-vectors is 8.4136452D-02 conv= 1.00D-05.
RLE energy= -0.2115532234
DE(Corr)= -0.20819106 E(CORR)= -342.70212942 Delta=-4.29D-03
NORM(A)= 0.10536431D+01
Iteration Nr. 5
**********************
DD1Dir will call FoFMem 1 times, MxPair= 44
NAB= 16 NAA= 6 NBB= 6.
Norm of the A-vectors is 6.5485701D-03 conv= 1.00D-05.
RLE energy= -0.2099294201
DE(Corr)= -0.21135449 E(CORR)= -342.70529285 Delta=-3.16D-03
NORM(A)= 0.10525121D+01
Iteration Nr. 6
**********************
DD1Dir will call FoFMem 1 times, MxPair= 44
NAB= 16 NAA= 6 NBB= 6.
Norm of the A-vectors is 1.1246214D-02 conv= 1.00D-05.
RLE energy= -0.2113170620
DE(Corr)= -0.21090362 E(CORR)= -342.70484199 Delta= 4.51D-04
NORM(A)= 0.10536563D+01
Iteration Nr. 7
**********************
DD1Dir will call FoFMem 1 times, MxPair= 44
NAB= 16 NAA= 6 NBB= 6.
Norm of the A-vectors is 4.9514122D-04 conv= 1.00D-05.
RLE energy= -0.2112935161
DE(Corr)= -0.21130134 E(CORR)= -342.70523970 Delta=-3.98D-04
NORM(A)= 0.10536409D+01
Iteration Nr. 8
**********************
DD1Dir will call FoFMem 1 times, MxPair= 44
NAB= 16 NAA= 6 NBB= 6.
Norm of the A-vectors is 1.2165720D-04 conv= 1.00D-05.
RLE energy= -0.2112962104
DE(Corr)= -0.21129565 E(CORR)= -342.70523402 Delta= 5.68D-06
NORM(A)= 0.10536426D+01
Iteration Nr. 9
**********************
DD1Dir will call FoFMem 1 times, MxPair= 44
NAB= 16 NAA= 6 NBB= 6.
Norm of the A-vectors is 4.2411653D-05 conv= 1.00D-05.
RLE energy= -0.2112959005
DE(Corr)= -0.21129590 E(CORR)= -342.70523426 Delta=-2.48D-07
NORM(A)= 0.10536427D+01
Iteration Nr. 10
**********************
DD1Dir will call FoFMem 1 times, MxPair= 44
NAB= 16 NAA= 6 NBB= 6.
Norm of the A-vectors is 1.6573141D-05 conv= 1.00D-05.
RLE energy= -0.2112960220
DE(Corr)= -0.21129596 E(CORR)= -342.70523432 Delta=-6.12D-08
NORM(A)= 0.10536429D+01
Iteration Nr. 11
**********************
DD1Dir will call FoFMem 1 times, MxPair= 44
NAB= 16 NAA= 6 NBB= 6.
Norm of the A-vectors is 3.8836096D-06 conv= 1.00D-05.
RLE energy= -0.2112960377
DE(Corr)= -0.21129605 E(CORR)= -342.70523441 Delta=-8.46D-08
NORM(A)= 0.10536429D+01
CI/CC converged in 11 iterations to DelEn=-8.46D-08 Conv= 1.00D-07 ErrA1= 3.88D-06 Conv= 1.00D-05
Largest amplitude= 3.57D-02
Time for triples= 53659.32 seconds.
T4(CCSD)= -0.81329555D-02
T5(CCSD)= 0.20439376D-03
CCSD(T)= -0.34271316297D+03
Discarding MO integrals.
Leave Link 913 at Thu Apr 4 14:33:53 2019, MaxMem= 13421772800 cpu: 59420.2
(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) (E) (E) (A1) (A1) (E) (E) (E) (E)
(A1) (A1) (E) (E) (A2) (E) (E) (E) (E) (A1) (A1)
(A1) (E) (E) (A2) (E) (E) (A1) (E) (E) (A1) (E)
(E) (A1) (E) (E) (A1) (E) (E) (E) (E) (E) (E)
(A2) (E) (E) (A1) (A1) (E) (E) (A2) (E) (E) (A1)
(A1) (A2) (E) (E) (A1) (E) (E) (E) (E) (E) (E)
(A1) (E) (E) (A2) (A1) (E) (E) (A1) (E) (E) (A1)
(A1) (E) (E) (E) (E) (A2) (E) (E) (A1) (E) (E)
(A1) (E) (E) (E) (E) (A2) (A1) (E) (E) (A2) (E)
(E) (E) (E) (A1) (E) (E) (A1) (A2) (E) (E) (A1)
(A1) (E) (E) (A2) (E) (E) (A1) (E) (E) (E) (E)
(A1) (E) (E) (E) (E) (A1) (A2) (E) (E) (A1) (E)
(E) (A1) (E) (E) (A1) (E) (E) (A1) (A2) (E) (E)
(A1) (E) (E) (E) (E) (A2) (A1) (E) (E) (A2) (E)
(E) (E) (E) (A1) (E) (E) (A1) (E) (E) (A2) (E)
(E) (A1) (E) (E) (A1) (E) (E) (A2) (E) (E) (E)
(E) (A1) (A1) (E) (E) (A2) (E) (E) (A1) (A2) (E)
(E) (E) (E) (E) (E) (A2) (A1) (E) (E) (E) (E)
(A1) (E) (E) (A2) (E) (E) (A1) (E) (E) (A2) (A1)
(E) (E) (A1) (E) (E) (E) (E) (A2) (E) (E) (A1)
(A1) (E) (E) (A1) (A2) (E) (E) (E) (E) (E) (E)
(A1) (E) (E) (A2) (E) (E) (A1) (A1) (E) (E) (A2)
(E) (E) (A1) (E) (E) (A1) (E) (E) (A1)
The electronic state is 1-A1.
Alpha occ. eigenvalues -- -79.94482 -7.48744 -5.38112 -5.38112 -5.38039
Alpha occ. eigenvalues -- -0.85310 -0.52003 -0.52003 -0.38905
Alpha virt. eigenvalues -- 0.08877 0.13069 0.13069 0.16288 0.16288
Alpha virt. eigenvalues -- 0.21767 0.32062 0.32574 0.32574 0.34163
Alpha virt. eigenvalues -- 0.34163 0.36426 0.41434 0.51211 0.51211
Alpha virt. eigenvalues -- 0.63900 0.65079 0.65079 0.68848 0.68848
Alpha virt. eigenvalues -- 0.76667 0.81042 0.83525 0.91040 0.91040
Alpha virt. eigenvalues -- 0.94239 0.94268 0.94268 0.97067 0.98763
Alpha virt. eigenvalues -- 0.98763 1.01055 1.04706 1.04706 1.05959
Alpha virt. eigenvalues -- 1.08167 1.08167 1.11302 1.15051 1.15051
Alpha virt. eigenvalues -- 1.53503 1.53503 1.66923 1.66923 1.68379
Alpha virt. eigenvalues -- 1.72656 1.72656 1.78723 1.81966 1.86617
Alpha virt. eigenvalues -- 1.86617 1.91507 1.93746 1.93746 1.94467
Alpha virt. eigenvalues -- 2.03869 2.09961 2.10141 2.10141 2.15330
Alpha virt. eigenvalues -- 2.18737 2.18737 2.23502 2.23502 2.24239
Alpha virt. eigenvalues -- 2.24239 2.32274 2.35695 2.35695 2.40223
Alpha virt. eigenvalues -- 2.41445 2.42123 2.42123 2.48295 2.53363
Alpha virt. eigenvalues -- 2.53363 2.53563 2.66157 2.68511 2.68511
Alpha virt. eigenvalues -- 2.99845 2.99845 3.14563 3.37570 3.37570
Alpha virt. eigenvalues -- 3.46557 3.49275 3.49275 3.52415 3.60549
Alpha virt. eigenvalues -- 3.60549 3.84614 3.84614 3.87506 3.88045
Alpha virt. eigenvalues -- 3.89171 3.89171 4.02899 4.12734 4.12734
Alpha virt. eigenvalues -- 4.18686 4.18686 4.36629 4.41601 4.41601
Alpha virt. eigenvalues -- 4.44396 4.53972 4.55416 4.55416 4.64018
Alpha virt. eigenvalues -- 4.70942 4.71479 4.71479 4.84804 4.90487
Alpha virt. eigenvalues -- 4.90487 4.92980 4.95130 4.95130 5.01355
Alpha virt. eigenvalues -- 5.01355 5.06288 5.09743 5.09743 5.10185
Alpha virt. eigenvalues -- 5.10185 5.13626 5.20408 5.20943 5.20943
Alpha virt. eigenvalues -- 5.27700 5.32249 5.32249 5.33245 5.35460
Alpha virt. eigenvalues -- 5.35460 5.42765 5.42924 5.42924 5.46863
Alpha virt. eigenvalues -- 5.50211 5.58357 5.58357 5.68301 5.78019
Alpha virt. eigenvalues -- 5.78019 5.81240 5.81240 5.93494 6.11735
Alpha virt. eigenvalues -- 6.32487 6.32487 6.46567 6.46969 6.46969
Alpha virt. eigenvalues -- 7.04385 7.04385 7.21263 7.28216 7.28216
Alpha virt. eigenvalues -- 7.38459 7.41411 7.41411 7.42956 7.71002
Alpha virt. eigenvalues -- 7.71002 8.18956 8.27621 8.27621 8.91161
Alpha virt. eigenvalues -- 9.33997 9.33997 12.60457 12.61424 12.61424
Alpha virt. eigenvalues -- 12.61957 12.61957 12.62689 12.65124 12.66193
Alpha virt. eigenvalues -- 12.66193 12.66559 12.68656 12.68656 12.68668
Alpha virt. eigenvalues -- 12.71256 12.72150 12.72150 12.74545 12.74545
Alpha virt. eigenvalues -- 12.77886 12.77886 12.80899 12.83470 12.88020
Alpha virt. eigenvalues -- 12.88020 12.91258 12.91258 13.02415 13.02539
Alpha virt. eigenvalues -- 13.02539 13.05510 13.12149 13.12149 13.17112
Alpha virt. eigenvalues -- 13.46492 13.46492 13.50823 13.66794 13.68674
Alpha virt. eigenvalues -- 13.68674 13.77082 13.83742 13.83742 13.91500
Alpha virt. eigenvalues -- 13.91500 13.91841 13.94562 13.94562 13.95181
Alpha virt. eigenvalues -- 14.07442 14.08049 14.08049 14.15531 14.19934
Alpha virt. eigenvalues -- 14.20356 14.20356 14.28330 14.28330 14.65409
Alpha virt. eigenvalues -- 14.65409 14.68676 14.93121 14.93121 14.95022
Alpha virt. eigenvalues -- 15.87733 15.87733 15.90237 17.40541 17.42215
Alpha virt. eigenvalues -- 17.42215 17.47052 17.65218 17.65218 18.46717
Alpha virt. eigenvalues -- 18.70977 18.70977 19.38234 20.50403 20.50403
Alpha virt. eigenvalues -- 61.09708
Molecular Orbital Coefficients:
1 2 3 4 5
(A1)--O (A1)--O (E)--O (E)--O (A1)--O
Eigenvalues -- -79.94482 -7.48744 -5.38112 -5.38112 -5.38039
1 1 P 1S 0.99957 0.27158 0.00000 0.00000 -0.00141
2 2S -0.00063 -0.34752 0.00000 0.00000 0.00209
3 3S -0.00184 0.55572 0.00000 0.00000 -0.00436
4 4S -0.00044 -0.16752 0.00000 0.00000 -0.00135
5 5S 0.00055 -0.00737 0.00000 0.00000 -0.00112
6 6S -0.00105 0.00384 0.00000 0.00000 0.00248
7 7S -0.00015 0.00073 0.00000 0.00000 -0.00019
8 8PX 0.00000 0.00000 0.50397 0.00000 0.00000
9 8PY 0.00000 0.00000 0.00000 0.50397 0.00000
10 8PZ -0.00022 0.00136 0.00000 0.00000 0.50492
11 9PX 0.00000 0.00000 -0.47495 0.00000 0.00000
12 9PY 0.00000 0.00000 0.00000 -0.47495 0.00000
13 9PZ -0.00023 -0.00268 0.00000 0.00000 -0.47496
14 10PX 0.00000 0.00000 0.10575 0.00000 0.00000
15 10PY 0.00000 0.00000 0.00000 0.10575 0.00000
16 10PZ -0.00022 0.00137 0.00000 0.00000 0.10395
17 11PX 0.00000 0.00000 0.00408 0.00000 0.00000
18 11PY 0.00000 0.00000 0.00000 0.00408 0.00000
19 11PZ 0.00019 -0.00151 0.00000 0.00000 0.00568
20 12PX 0.00000 0.00000 -0.00027 0.00000 0.00000
21 12PY 0.00000 0.00000 0.00000 -0.00027 0.00000
22 12PZ 0.00040 -0.00139 0.00000 0.00000 -0.00030
23 13PX 0.00000 0.00000 -0.00002 0.00000 0.00000
24 13PY 0.00000 0.00000 0.00000 -0.00002 0.00000
25 13PZ 0.00002 -0.00017 0.00000 0.00000 0.00011
26 14D 0 0.00000 -0.00007 0.00000 0.00000 -0.00003
27 14D+1 0.00000 0.00000 0.00005 0.00000 0.00000
28 14D-1 0.00000 0.00000 0.00000 0.00005 0.00000
29 14D+2 0.00000 0.00000 0.00000 0.00001 0.00000
30 14D-2 0.00000 0.00000 0.00001 0.00000 0.00000
31 15D 0 -0.00003 -0.00015 0.00000 0.00000 -0.00023
32 15D+1 0.00000 0.00000 0.00088 0.00000 0.00000
33 15D-1 0.00000 0.00000 0.00000 0.00088 0.00000
34 15D+2 0.00000 0.00000 0.00000 0.00070 0.00000
35 15D-2 0.00000 0.00000 0.00070 0.00000 0.00000
36 16D 0 0.00000 0.00014 0.00000 0.00000 0.00005
37 16D+1 0.00000 0.00000 0.00000 0.00000 0.00000
38 16D-1 0.00000 0.00000 0.00000 0.00000 0.00000
39 16D+2 0.00000 0.00000 0.00000 -0.00001 0.00000
40 16D-2 0.00000 0.00000 -0.00001 0.00000 0.00000
41 17D 0 0.00000 0.00041 0.00000 0.00000 -0.00142
42 17D+1 0.00000 0.00000 -0.00081 0.00000 0.00000
43 17D-1 0.00000 0.00000 0.00000 -0.00081 0.00000
44 17D+2 0.00000 0.00000 0.00000 0.00031 0.00000
45 17D-2 0.00000 0.00000 0.00031 0.00000 0.00000
46 18F 0 -0.00005 0.00015 0.00000 0.00000 -0.00004
47 18F+1 0.00000 0.00000 0.00000 0.00000 0.00000
48 18F-1 0.00000 0.00000 0.00000 0.00000 0.00000
49 18F+2 0.00000 0.00000 0.00000 0.00008 0.00000
50 18F-2 0.00000 0.00000 0.00008 0.00000 0.00000
51 18F+3 0.00000 0.00000 0.00000 0.00000 0.00000
52 18F-3 0.00005 -0.00017 0.00000 0.00000 -0.00010
53 19F 0 -0.00005 0.00006 0.00000 0.00000 0.00065
54 19F+1 0.00000 0.00000 0.00037 0.00000 0.00000
55 19F-1 0.00000 0.00000 0.00000 0.00037 0.00000
56 19F+2 0.00000 0.00000 0.00000 -0.00037 0.00000
57 19F-2 0.00000 0.00000 -0.00037 0.00000 0.00000
58 19F+3 0.00000 0.00000 0.00000 0.00000 0.00000
59 19F-3 0.00005 -0.00003 0.00000 0.00000 -0.00035
60 20F 0 0.00000 0.00022 0.00000 0.00000 -0.00056
61 20F+1 0.00000 0.00000 -0.00042 0.00000 0.00000
62 20F-1 0.00000 0.00000 0.00000 -0.00042 0.00000
63 20F+2 0.00000 0.00000 0.00000 -0.00001 0.00000
64 20F-2 0.00000 0.00000 -0.00001 0.00000 0.00000
65 20F+3 0.00000 0.00000 0.00000 0.00000 0.00000
66 20F-3 0.00000 -0.00027 0.00000 0.00000 0.00013
67 21G 0 0.00004 -0.00006 0.00000 0.00000 0.00004
68 21G+1 0.00000 0.00000 -0.00011 0.00000 0.00000
69 21G-1 0.00000 0.00000 0.00000 -0.00011 0.00000
70 21G+2 0.00000 0.00000 0.00000 -0.00001 0.00000
71 21G-2 0.00000 0.00000 -0.00001 0.00000 0.00000
72 21G+3 0.00000 0.00000 0.00000 0.00000 0.00000
73 21G-3 -0.00005 0.00009 0.00000 0.00000 0.00013
74 21G+4 0.00000 0.00000 0.00000 -0.00003 0.00000
75 21G-4 0.00000 0.00000 0.00003 0.00000 0.00000
76 22G 0 0.00001 -0.00006 0.00000 0.00000 -0.00004
77 22G+1 0.00000 0.00000 -0.00009 0.00000 0.00000
78 22G-1 0.00000 0.00000 0.00000 -0.00009 0.00000
79 22G+2 0.00000 0.00000 0.00000 0.00001 0.00000
80 22G-2 0.00000 0.00000 0.00001 0.00000 0.00000
81 22G+3 0.00000 0.00000 0.00000 0.00000 0.00000
82 22G-3 0.00000 0.00011 0.00000 0.00000 0.00001
83 22G+4 0.00000 0.00000 0.00000 -0.00013 0.00000
84 22G-4 0.00000 0.00000 0.00013 0.00000 0.00000
85 23H 0 -0.00001 0.00001 0.00000 0.00000 -0.00006
86 23H+1 0.00000 0.00000 0.00002 0.00000 0.00000
87 23H-1 0.00000 0.00000 0.00000 0.00002 0.00000
88 23H+2 0.00000 0.00000 0.00000 0.00003 0.00000
89 23H-2 0.00000 0.00000 0.00003 0.00000 0.00000
90 23H+3 0.00000 0.00000 0.00000 0.00000 0.00000
91 23H-3 0.00002 -0.00005 0.00000 0.00000 0.00004
92 23H+4 0.00000 0.00000 0.00000 0.00004 0.00000
93 23H-4 0.00000 0.00000 -0.00004 0.00000 0.00000
94 23H+5 0.00000 0.00000 0.00002 0.00000 0.00000
95 23H-5 0.00000 0.00000 0.00000 -0.00002 0.00000
96 2 H 1S 0.00000 -0.00007 0.00000 0.00015 -0.00008
97 2S -0.00002 0.00017 0.00000 -0.00005 -0.00014
98 3S 0.00017 -0.00129 0.00000 0.00180 -0.00093
99 4S 0.00026 -0.00133 0.00000 0.00075 -0.00040
100 5S 0.00000 -0.00004 0.00000 0.00003 0.00005
101 6PX 0.00000 0.00000 0.00000 0.00000 0.00000
102 6PY 0.00000 0.00002 0.00000 -0.00004 0.00001
103 6PZ 0.00000 -0.00001 0.00000 0.00004 -0.00001
104 7PX 0.00000 0.00000 0.00001 0.00000 0.00000
105 7PY 0.00000 -0.00009 0.00000 0.00006 0.00006
106 7PZ 0.00000 0.00006 0.00000 -0.00009 0.00001
107 8PX 0.00000 0.00000 0.00010 0.00000 0.00000
108 8PY -0.00006 0.00070 0.00000 -0.00092 0.00034
109 8PZ 0.00002 -0.00043 0.00000 0.00089 -0.00030
110 9PX 0.00000 0.00000 0.00004 0.00000 0.00000
111 9PY -0.00010 0.00061 0.00000 -0.00048 0.00015
112 9PZ 0.00005 -0.00038 0.00000 0.00045 -0.00023
113 10D 0 0.00000 0.00000 0.00000 0.00000 0.00000
114 10D+1 0.00000 0.00000 0.00000 0.00000 0.00000
115 10D-1 0.00000 -0.00003 0.00000 0.00003 0.00000
116 10D+2 0.00000 -0.00002 0.00000 0.00002 0.00000
117 10D-2 0.00000 0.00000 0.00001 0.00000 0.00000
118 11D 0 0.00000 0.00001 0.00000 0.00002 0.00003
119 11D+1 0.00000 0.00000 0.00003 0.00000 0.00000
120 11D-1 -0.00001 0.00015 0.00000 -0.00021 0.00005
121 11D+2 -0.00001 0.00012 0.00000 -0.00013 0.00005
122 11D-2 0.00000 0.00000 -0.00006 0.00000 0.00000
123 12D 0 -0.00001 0.00004 0.00000 0.00012 -0.00008
124 12D+1 0.00000 0.00000 0.00007 0.00000 0.00000
125 12D-1 0.00000 0.00029 0.00000 -0.00051 0.00014
126 12D+2 -0.00001 0.00024 0.00000 -0.00023 0.00001
127 12D-2 0.00000 0.00000 -0.00002 0.00000 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 0.00000 0.00000 0.00000
131 13F+2 0.00000 0.00001 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 0.00007 0.00000 -0.00006 0.00001
136 14F+1 0.00000 0.00000 0.00002 0.00000 0.00000
137 14F-1 0.00001 0.00003 0.00000 -0.00010 0.00001
138 14F+2 0.00000 0.00011 0.00000 -0.00014 0.00001
139 14F-2 0.00000 0.00000 -0.00006 0.00000 0.00000
140 14F+3 0.00000 0.00000 -0.00003 0.00000 0.00000
141 14F-3 0.00000 -0.00007 0.00000 0.00007 0.00001
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144 15G-1 0.00000 -0.00001 0.00000 0.00001 -0.00001
145 15G+2 0.00000 0.00001 0.00000 -0.00002 0.00000
146 15G-2 0.00000 0.00000 0.00000 0.00000 0.00000
147 15G+3 0.00000 0.00000 -0.00001 0.00000 0.00000
148 15G-3 0.00000 -0.00002 0.00000 0.00003 -0.00001
149 15G+4 0.00000 -0.00001 0.00000 0.00002 0.00000
150 15G-4 0.00000 0.00000 0.00001 0.00000 0.00000
151 3 H 1S 0.00000 -0.00007 0.00013 -0.00007 -0.00008
152 2S -0.00002 0.00017 -0.00004 0.00002 -0.00014
153 3S 0.00017 -0.00129 0.00156 -0.00090 -0.00093
154 4S 0.00026 -0.00133 0.00065 -0.00037 -0.00040
155 5S 0.00000 -0.00004 0.00003 -0.00002 0.00005
156 6PX 0.00000 0.00002 -0.00003 0.00002 0.00001
157 6PY 0.00000 -0.00001 0.00002 -0.00001 -0.00001
158 6PZ 0.00000 -0.00001 0.00003 -0.00002 -0.00001
159 7PX 0.00000 -0.00008 0.00005 -0.00002 0.00005
160 7PY 0.00000 0.00005 -0.00002 0.00002 -0.00003
161 7PZ 0.00000 0.00006 -0.00008 0.00004 0.00001
162 8PX -0.00006 0.00060 -0.00067 0.00044 0.00030
163 8PY 0.00003 -0.00035 0.00044 -0.00016 -0.00017
164 8PZ 0.00002 -0.00043 0.00077 -0.00045 -0.00030
165 9PX -0.00009 0.00053 -0.00035 0.00022 0.00013
166 9PY 0.00005 -0.00030 0.00022 -0.00009 -0.00008
167 9PZ 0.00005 -0.00038 0.00039 -0.00022 -0.00023
168 10D 0 0.00000 0.00000 0.00000 0.00000 0.00000
169 10D+1 0.00000 -0.00003 0.00002 -0.00002 0.00000
170 10D-1 0.00000 0.00001 -0.00002 0.00001 0.00000
171 10D+2 0.00000 0.00001 -0.00001 0.00001 0.00000
172 10D-2 0.00000 -0.00002 0.00002 -0.00001 0.00000
173 11D 0 0.00000 0.00001 0.00002 -0.00001 0.00003
174 11D+1 -0.00001 0.00013 -0.00015 0.00010 0.00004
175 11D-1 0.00000 -0.00007 0.00010 -0.00003 -0.00002
176 11D+2 0.00000 -0.00006 0.00003 -0.00007 -0.00003
177 11D-2 -0.00001 0.00010 -0.00011 0.00003 0.00005
178 12D 0 -0.00001 0.00004 0.00011 -0.00006 -0.00008
179 12D+1 0.00000 0.00025 -0.00036 0.00025 0.00012
180 12D-1 0.00000 -0.00014 0.00025 -0.00007 -0.00007
181 12D+2 0.00001 -0.00012 0.00009 -0.00007 0.00000
182 12D-2 -0.00001 0.00020 -0.00018 0.00009 0.00001
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
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195 14F+3 0.00000 0.00000 0.00001 0.00002 0.00000
196 14F-3 0.00000 -0.00007 0.00006 -0.00003 0.00001
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203 15G-3 0.00000 -0.00002 0.00002 -0.00001 -0.00001
204 15G+4 0.00000 0.00000 -0.00001 0.00000 0.00000
205 15G-4 0.00000 0.00001 -0.00001 0.00001 0.00000
206 4 H 1S 0.00000 -0.00007 -0.00013 -0.00007 -0.00008
207 2S -0.00002 0.00017 0.00004 0.00002 -0.00014
208 3S 0.00017 -0.00129 -0.00156 -0.00090 -0.00093
209 4S 0.00026 -0.00133 -0.00065 -0.00037 -0.00040
210 5S 0.00000 -0.00004 -0.00003 -0.00002 0.00005
211 6PX 0.00000 -0.00002 -0.00003 -0.00002 -0.00001
212 6PY 0.00000 -0.00001 -0.00002 -0.00001 -0.00001
213 6PZ 0.00000 -0.00001 -0.00003 -0.00002 -0.00001
214 7PX 0.00000 0.00008 0.00005 0.00002 -0.00005
215 7PY 0.00000 0.00005 0.00002 0.00002 -0.00003
216 7PZ 0.00000 0.00006 0.00008 0.00004 0.00001
217 8PX 0.00006 -0.00060 -0.00067 -0.00044 -0.00030
218 8PY 0.00003 -0.00035 -0.00044 -0.00016 -0.00017
219 8PZ 0.00002 -0.00043 -0.00077 -0.00045 -0.00030
220 9PX 0.00009 -0.00053 -0.00035 -0.00022 -0.00013
221 9PY 0.00005 -0.00030 -0.00022 -0.00009 -0.00008
222 9PZ 0.00005 -0.00038 -0.00039 -0.00022 -0.00023
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227 10D-2 0.00000 0.00002 0.00002 0.00001 0.00000
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230 11D-1 0.00000 -0.00007 -0.00010 -0.00003 -0.00002
231 11D+2 0.00000 -0.00006 -0.00003 -0.00007 -0.00003
232 11D-2 0.00001 -0.00010 -0.00011 -0.00003 -0.00005
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237 12D-2 0.00001 -0.00020 -0.00018 -0.00009 -0.00001
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245 14F 0 0.00000 0.00007 0.00006 0.00003 0.00001
246 14F+1 -0.00001 -0.00003 -0.00007 -0.00005 -0.00001
247 14F-1 0.00000 -0.00002 -0.00005 -0.00001 0.00000
248 14F+2 0.00000 -0.00006 -0.00003 -0.00008 -0.00001
249 14F-2 0.00000 -0.00010 -0.00012 -0.00003 -0.00001
250 14F+3 0.00000 0.00000 0.00001 -0.00002 0.00000
251 14F-3 0.00000 -0.00007 -0.00006 -0.00003 0.00001
252 15G 0 0.00000 0.00001 0.00001 0.00001 0.00000
253 15G+1 0.00000 0.00001 0.00001 0.00001 0.00000
254 15G-1 0.00000 0.00000 0.00001 0.00000 0.00000
255 15G+2 0.00000 -0.00001 -0.00001 -0.00001 0.00000
256 15G-2 0.00000 -0.00001 -0.00001 -0.00001 0.00000
257 15G+3 0.00000 0.00000 0.00000 -0.00001 0.00000
258 15G-3 0.00000 -0.00002 -0.00002 -0.00001 -0.00001
259 15G+4 0.00000 0.00000 0.00001 0.00000 0.00000
260 15G-4 0.00000 -0.00001 -0.00001 -0.00001 0.00000
6 7 8 9 10
(A1)--O (E)--O (E)--O (A1)--O (A1)--V
Eigenvalues -- -0.85310 -0.52003 -0.52003 -0.38905 0.08877
1 1 P 1S 0.06203 0.00000 0.00000 0.03016 0.02252
2 2S -0.08809 0.00000 0.00000 -0.04282 -0.03466
3 3S 0.26682 0.00000 0.00000 0.13909 0.09760
4 4S -0.12602 0.00000 0.00000 -0.05950 -0.09888
5 5S 0.31899 0.00000 0.00000 0.15981 0.53550
6 6S 0.42831 0.00000 0.00000 0.33065 -1.02086
7 7S 0.09835 0.00000 0.00000 0.22233 3.73553
8 8PX 0.00000 0.00000 -0.08554 0.00000 0.00000
9 8PY 0.00000 -0.08554 0.00000 0.00000 0.00000
10 8PZ 0.02230 0.00000 0.00000 -0.09979 0.01768
11 9PX 0.00000 0.00000 0.09834 0.00000 0.00000
12 9PY 0.00000 0.09834 0.00000 0.00000 0.00000
13 9PZ -0.02546 0.00000 0.00000 0.11621 -0.02849
14 10PX 0.00000 0.00000 0.03241 0.00000 0.00000
15 10PY 0.00000 0.03241 0.00000 0.00000 0.00000
16 10PZ -0.00586 0.00000 0.00000 0.04535 -0.03555
17 11PX 0.00000 0.00000 0.23622 0.00000 0.00000
18 11PY 0.00000 0.23622 0.00000 0.00000 0.00000
19 11PZ -0.05365 0.00000 0.00000 0.28891 -0.01524
20 12PX 0.00000 0.00000 0.25584 0.00000 0.00000
21 12PY 0.00000 0.25584 0.00000 0.00000 0.00000
22 12PZ -0.02720 0.00000 0.00000 0.34287 0.02267
23 13PX 0.00000 0.00000 0.04698 0.00000 0.00000
24 13PY 0.00000 0.04698 0.00000 0.00000 0.00000
25 13PZ -0.00006 0.00000 0.00000 0.17083 -1.35712
26 14D 0 0.00257 0.00000 0.00000 0.00043 0.05998
27 14D+1 0.00000 0.00000 -0.03731 0.00000 0.00000
28 14D-1 0.00000 -0.03731 0.00000 0.00000 0.00000
29 14D+2 0.00000 -0.03026 0.00000 0.00000 0.00000
30 14D-2 0.00000 0.00000 -0.03026 0.00000 0.00000
31 15D 0 -0.00303 0.00000 0.00000 -0.00029 0.03394
32 15D+1 0.00000 0.00000 -0.05608 0.00000 0.00000
33 15D-1 0.00000 -0.05608 0.00000 0.00000 0.00000
34 15D+2 0.00000 -0.04434 0.00000 0.00000 0.00000
35 15D-2 0.00000 0.00000 -0.04434 0.00000 0.00000
36 16D 0 -0.00071 0.00000 0.00000 0.00030 -0.00629
37 16D+1 0.00000 0.00000 -0.01716 0.00000 0.00000
38 16D-1 0.00000 -0.01716 0.00000 0.00000 0.00000
39 16D+2 0.00000 -0.01291 0.00000 0.00000 0.00000
40 16D-2 0.00000 0.00000 -0.01291 0.00000 0.00000
41 17D 0 -0.00038 0.00000 0.00000 -0.00004 0.00137
42 17D+1 0.00000 0.00000 -0.00842 0.00000 0.00000
43 17D-1 0.00000 -0.00842 0.00000 0.00000 0.00000
44 17D+2 0.00000 -0.00647 0.00000 0.00000 0.00000
45 17D-2 0.00000 0.00000 -0.00647 0.00000 0.00000
46 18F 0 0.00274 0.00000 0.00000 -0.00424 0.00615
47 18F+1 0.00000 0.00000 0.00232 0.00000 0.00000
48 18F-1 0.00000 0.00232 0.00000 0.00000 0.00000
49 18F+2 0.00000 0.00768 0.00000 0.00000 0.00000
50 18F-2 0.00000 0.00000 0.00768 0.00000 0.00000
51 18F+3 0.00000 0.00000 0.00000 0.00000 0.00000
52 18F-3 -0.00323 0.00000 0.00000 0.00078 -0.00334
53 19F 0 0.00302 0.00000 0.00000 -0.00280 -0.06361
54 19F+1 0.00000 0.00000 0.00245 0.00000 0.00000
55 19F-1 0.00000 0.00245 0.00000 0.00000 0.00000
56 19F+2 0.00000 0.01024 0.00000 0.00000 0.00000
57 19F-2 0.00000 0.00000 0.01024 0.00000 0.00000
58 19F+3 0.00000 0.00000 0.00000 0.00000 0.00000
59 19F-3 -0.00302 0.00000 0.00000 0.00160 0.07429
60 20F 0 0.00300 0.00000 0.00000 -0.00226 0.00754
61 20F+1 0.00000 0.00000 0.00103 0.00000 0.00000
62 20F-1 0.00000 0.00103 0.00000 0.00000 0.00000
63 20F+2 0.00000 0.00353 0.00000 0.00000 0.00000
64 20F-2 0.00000 0.00000 0.00353 0.00000 0.00000
65 20F+3 0.00000 0.00000 0.00000 0.00000 0.00000
66 20F-3 -0.00338 0.00000 0.00000 0.00179 -0.00851
67 21G 0 -0.00074 0.00000 0.00000 -0.00001 0.00966
68 21G+1 0.00000 0.00000 0.00141 0.00000 0.00000
69 21G-1 0.00000 0.00141 0.00000 0.00000 0.00000
70 21G+2 0.00000 -0.00230 0.00000 0.00000 0.00000
71 21G-2 0.00000 0.00000 -0.00230 0.00000 0.00000
72 21G+3 0.00000 0.00000 0.00000 0.00000 0.00000
73 21G-3 0.00097 0.00000 0.00000 0.00047 -0.03606
74 21G+4 0.00000 0.00087 0.00000 0.00000 0.00000
75 21G-4 0.00000 0.00000 -0.00087 0.00000 0.00000
76 22G 0 -0.00083 0.00000 0.00000 0.00035 0.00347
77 22G+1 0.00000 0.00000 0.00064 0.00000 0.00000
78 22G-1 0.00000 0.00064 0.00000 0.00000 0.00000
79 22G+2 0.00000 -0.00067 0.00000 0.00000 0.00000
80 22G-2 0.00000 0.00000 -0.00067 0.00000 0.00000
81 22G+3 0.00000 0.00000 0.00000 0.00000 0.00000
82 22G-3 0.00163 0.00000 0.00000 -0.00060 -0.00651
83 22G+4 0.00000 0.00058 0.00000 0.00000 0.00000
84 22G-4 0.00000 0.00000 -0.00058 0.00000 0.00000
85 23H 0 0.00010 0.00000 0.00000 -0.00023 0.00284
86 23H+1 0.00000 0.00000 -0.00070 0.00000 0.00000
87 23H-1 0.00000 -0.00070 0.00000 0.00000 0.00000
88 23H+2 0.00000 -0.00008 0.00000 0.00000 0.00000
89 23H-2 0.00000 0.00000 -0.00008 0.00000 0.00000
90 23H+3 0.00000 0.00000 0.00000 0.00000 0.00000
91 23H-3 -0.00058 0.00000 0.00000 0.00035 0.00561
92 23H+4 0.00000 -0.00075 0.00000 0.00000 0.00000
93 23H-4 0.00000 0.00000 0.00075 0.00000 0.00000
94 23H+5 0.00000 0.00000 -0.00029 0.00000 0.00000
95 23H-5 0.00000 0.00029 0.00000 0.00000 0.00000
96 2 H 1S 0.01909 0.03742 0.00000 -0.01346 -0.00213
97 2S 0.04370 0.08874 0.00000 -0.03184 -0.00041
98 3S 0.09447 0.18253 0.00000 -0.07253 0.05595
99 4S 0.07018 0.19765 0.00000 -0.09503 0.06852
100 5S 0.00669 0.07013 0.00000 -0.02611 -1.58562
101 6PX 0.00000 0.00000 0.00034 0.00000 0.00000
102 6PY -0.00064 -0.00068 0.00000 0.00038 -0.00306
103 6PZ 0.00038 0.00068 0.00000 0.00021 0.00151
104 7PX 0.00000 0.00000 0.00092 0.00000 0.00000
105 7PY -0.00221 -0.00191 0.00000 0.00091 0.01218
106 7PZ 0.00120 0.00178 0.00000 0.00101 -0.00701
107 8PX 0.00000 0.00000 0.00563 0.00000 0.00000
108 8PY -0.01136 -0.00956 0.00000 0.00786 -0.08857
109 8PZ 0.00698 0.01022 0.00000 0.00222 0.05283
110 9PX 0.00000 0.00000 0.00712 0.00000 0.00000
111 9PY -0.00754 -0.00974 0.00000 0.00898 0.07849
112 9PZ 0.00481 0.01185 0.00000 0.00262 0.00972
113 10D 0 -0.00002 0.00002 0.00000 0.00008 -0.00013
114 10D+1 0.00000 0.00000 0.00004 0.00000 0.00000
115 10D-1 -0.00012 -0.00014 0.00000 -0.00002 0.00065
116 10D+2 -0.00010 -0.00006 0.00000 0.00005 0.00057
117 10D-2 0.00000 0.00000 -0.00005 0.00000 0.00000
118 11D 0 -0.00014 0.00020 0.00000 0.00061 -0.00017
119 11D+1 0.00000 0.00000 0.00014 0.00000 0.00000
120 11D-1 -0.00089 -0.00115 0.00000 0.00003 -0.00484
121 11D+2 -0.00077 -0.00071 0.00000 0.00061 -0.00459
122 11D-2 0.00000 0.00000 -0.00069 0.00000 0.00000
123 12D 0 -0.00012 0.00076 0.00000 0.00117 0.00959
124 12D+1 0.00000 0.00000 0.00088 0.00000 0.00000
125 12D-1 -0.00168 -0.00370 0.00000 0.00067 -0.02007
126 12D+2 -0.00113 -0.00141 0.00000 0.00135 -0.00343
127 12D-2 0.00000 0.00000 -0.00216 0.00000 0.00000
128 13F 0 -0.00004 -0.00002 0.00000 0.00004 -0.00056
129 13F+1 0.00000 0.00000 0.00000 0.00000 0.00000
130 13F-1 -0.00002 -0.00002 0.00000 -0.00005 0.00026
131 13F+2 -0.00006 -0.00005 0.00000 0.00004 -0.00045
132 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
133 13F+3 0.00000 0.00000 -0.00001 0.00000 0.00000
134 13F-3 0.00005 0.00003 0.00000 -0.00005 0.00066
135 14F 0 -0.00007 -0.00059 0.00000 0.00015 0.00136
136 14F+1 0.00000 0.00000 -0.00010 0.00000 0.00000
137 14F-1 -0.00002 -0.00059 0.00000 -0.00008 -0.00358
138 14F+2 -0.00015 -0.00107 0.00000 0.00018 -0.00083
139 14F-2 0.00000 0.00000 -0.00027 0.00000 0.00000
140 14F+3 0.00000 0.00000 -0.00046 0.00000 0.00000
141 14F-3 0.00005 0.00060 0.00000 -0.00016 -0.00166
142 15G 0 0.00000 -0.00010 0.00000 0.00000 -0.00011
143 15G+1 0.00000 0.00000 -0.00001 0.00000 0.00000
144 15G-1 0.00001 0.00007 0.00000 -0.00004 -0.00002
145 15G+2 0.00000 -0.00011 0.00000 -0.00001 -0.00009
146 15G-2 0.00000 0.00000 0.00001 0.00000 0.00000
147 15G+3 0.00000 0.00000 -0.00003 0.00000 0.00000
148 15G-3 0.00001 0.00016 0.00000 -0.00004 0.00011
149 15G+4 0.00000 0.00009 0.00000 -0.00003 0.00002
150 15G-4 0.00000 0.00000 0.00004 0.00000 0.00000
151 3 H 1S 0.01909 -0.01871 0.03241 -0.01346 -0.00213
152 2S 0.04370 -0.04437 0.07685 -0.03184 -0.00041
153 3S 0.09447 -0.09126 0.15807 -0.07253 0.05595
154 4S 0.07018 -0.09882 0.17117 -0.09503 0.06852
155 5S 0.00669 -0.03507 0.06073 -0.02611 -1.58562
156 6PX -0.00055 0.00044 -0.00042 0.00033 -0.00265
157 6PY 0.00032 0.00008 0.00044 -0.00019 0.00153
158 6PZ 0.00038 -0.00034 0.00059 0.00021 0.00151
159 7PX -0.00191 0.00122 -0.00120 0.00078 0.01055
160 7PY 0.00110 0.00021 0.00122 -0.00045 -0.00609
161 7PZ 0.00120 -0.00089 0.00154 0.00101 -0.00701
162 8PX -0.00984 0.00658 -0.00576 0.00681 -0.07671
163 8PY 0.00568 0.00184 0.00658 -0.00393 0.04429
164 8PZ 0.00698 -0.00511 0.00885 0.00222 0.05283
165 9PX -0.00653 0.00730 -0.00552 0.00778 0.06797
166 9PY 0.00377 0.00291 0.00730 -0.00449 -0.03924
167 9PZ 0.00481 -0.00592 0.01026 0.00262 0.00972
168 10D 0 -0.00002 -0.00001 0.00001 0.00008 -0.00013
169 10D+1 -0.00011 0.00008 -0.00010 -0.00002 0.00057
170 10D-1 0.00006 0.00000 0.00008 0.00001 -0.00033
171 10D+2 0.00005 -0.00005 0.00000 -0.00002 -0.00029
172 10D-2 -0.00008 0.00000 -0.00005 0.00004 0.00050
173 11D 0 -0.00014 -0.00010 0.00017 0.00061 -0.00017
174 11D+1 -0.00077 0.00056 -0.00083 0.00003 -0.00419
175 11D-1 0.00045 -0.00019 0.00056 -0.00001 0.00242
176 11D+2 0.00039 -0.00070 0.00000 -0.00030 0.00230
177 11D-2 -0.00067 0.00000 -0.00070 0.00053 -0.00398
178 12D 0 -0.00012 -0.00038 0.00066 0.00117 0.00959
179 12D+1 -0.00146 0.00198 -0.00255 0.00058 -0.01738
180 12D-1 0.00084 -0.00027 0.00198 -0.00033 0.01003
181 12D+2 0.00056 -0.00197 -0.00033 -0.00068 0.00172
182 12D-2 -0.00098 -0.00033 -0.00160 0.00117 -0.00297
183 13F 0 -0.00004 0.00001 -0.00002 0.00004 -0.00056
184 13F+1 -0.00002 0.00001 -0.00001 -0.00004 0.00022
185 13F-1 0.00001 0.00000 0.00001 0.00002 -0.00013
186 13F+2 0.00003 -0.00001 0.00002 -0.00002 0.00023
187 13F-2 -0.00005 0.00002 -0.00003 0.00003 -0.00039
188 13F+3 0.00000 0.00001 0.00001 0.00000 0.00000
189 13F-3 0.00005 -0.00001 0.00002 -0.00005 0.00066
190 14F 0 -0.00007 0.00029 -0.00051 0.00015 0.00136
191 14F+1 -0.00002 0.00021 -0.00047 -0.00007 -0.00310
192 14F-1 0.00001 -0.00022 0.00021 0.00004 0.00179
193 14F+2 0.00008 -0.00047 0.00035 -0.00009 0.00042
194 14F-2 -0.00013 0.00035 -0.00087 0.00015 -0.00072
195 14F+3 0.00000 0.00040 0.00023 0.00000 0.00000
196 14F-3 0.00005 -0.00030 0.00052 -0.00016 -0.00166
197 15G 0 0.00000 0.00005 -0.00009 0.00000 -0.00011
198 15G+1 0.00001 -0.00003 0.00005 -0.00004 -0.00002
199 15G-1 -0.00001 0.00001 -0.00003 0.00002 0.00001
200 15G+2 0.00000 -0.00002 0.00005 0.00000 0.00005
201 15G-2 0.00000 0.00005 -0.00008 0.00000 -0.00008
202 15G+3 0.00000 0.00002 0.00001 0.00000 0.00000
203 15G-3 0.00001 -0.00008 0.00014 -0.00004 0.00011
204 15G+4 0.00000 -0.00001 -0.00006 0.00001 -0.00001
205 15G-4 0.00000 0.00006 -0.00006 0.00002 -0.00001
206 4 H 1S 0.01909 -0.01871 -0.03241 -0.01346 -0.00213
207 2S 0.04370 -0.04437 -0.07685 -0.03184 -0.00041
208 3S 0.09447 -0.09126 -0.15807 -0.07253 0.05595
209 4S 0.07018 -0.09882 -0.17117 -0.09503 0.06852
210 5S 0.00669 -0.03507 -0.06073 -0.02611 -1.58562
211 6PX 0.00055 -0.00044 -0.00042 -0.00033 0.00265
212 6PY 0.00032 0.00008 -0.00044 -0.00019 0.00153
213 6PZ 0.00038 -0.00034 -0.00059 0.00021 0.00151
214 7PX 0.00191 -0.00122 -0.00120 -0.00078 -0.01055
215 7PY 0.00110 0.00021 -0.00122 -0.00045 -0.00609
216 7PZ 0.00120 -0.00089 -0.00154 0.00101 -0.00701
217 8PX 0.00984 -0.00658 -0.00576 -0.00681 0.07671
218 8PY 0.00568 0.00184 -0.00658 -0.00393 0.04429
219 8PZ 0.00698 -0.00511 -0.00885 0.00222 0.05283
220 9PX 0.00653 -0.00730 -0.00552 -0.00778 -0.06797
221 9PY 0.00377 0.00291 -0.00730 -0.00449 -0.03924
222 9PZ 0.00481 -0.00592 -0.01026 0.00262 0.00972
223 10D 0 -0.00002 -0.00001 -0.00001 0.00008 -0.00013
224 10D+1 0.00011 -0.00008 -0.00010 0.00002 -0.00057
225 10D-1 0.00006 0.00000 -0.00008 0.00001 -0.00033
226 10D+2 0.00005 -0.00005 0.00000 -0.00002 -0.00029
227 10D-2 0.00008 0.00000 -0.00005 -0.00004 -0.00050
228 11D 0 -0.00014 -0.00010 -0.00017 0.00061 -0.00017
229 11D+1 0.00077 -0.00056 -0.00083 -0.00003 0.00419
230 11D-1 0.00045 -0.00019 -0.00056 -0.00001 0.00242
231 11D+2 0.00039 -0.00070 0.00000 -0.00030 0.00230
232 11D-2 0.00067 0.00000 -0.00070 -0.00053 0.00398
233 12D 0 -0.00012 -0.00038 -0.00066 0.00117 0.00959
234 12D+1 0.00146 -0.00198 -0.00255 -0.00058 0.01738
235 12D-1 0.00084 -0.00027 -0.00198 -0.00033 0.01003
236 12D+2 0.00056 -0.00197 0.00033 -0.00068 0.00172
237 12D-2 0.00098 0.00033 -0.00160 -0.00117 0.00297
238 13F 0 -0.00004 0.00001 0.00002 0.00004 -0.00056
239 13F+1 0.00002 -0.00001 -0.00001 0.00004 -0.00022
240 13F-1 0.00001 0.00000 -0.00001 0.00002 -0.00013
241 13F+2 0.00003 -0.00001 -0.00002 -0.00002 0.00023
242 13F-2 0.00005 -0.00002 -0.00003 -0.00003 0.00039
243 13F+3 0.00000 -0.00001 0.00001 0.00000 0.00000
244 13F-3 0.00005 -0.00001 -0.00002 -0.00005 0.00066
245 14F 0 -0.00007 0.00029 0.00051 0.00015 0.00136
246 14F+1 0.00002 -0.00021 -0.00047 0.00007 0.00310
247 14F-1 0.00001 -0.00022 -0.00021 0.00004 0.00179
248 14F+2 0.00008 -0.00047 -0.00035 -0.00009 0.00042
249 14F-2 0.00013 -0.00035 -0.00087 -0.00015 0.00072
250 14F+3 0.00000 -0.00040 0.00023 0.00000 0.00000
251 14F-3 0.00005 -0.00030 -0.00052 -0.00016 -0.00166
252 15G 0 0.00000 0.00005 0.00009 0.00000 -0.00011
253 15G+1 -0.00001 0.00003 0.00005 0.00004 0.00002
254 15G-1 -0.00001 0.00001 0.00003 0.00002 0.00001
255 15G+2 0.00000 -0.00002 -0.00005 0.00000 0.00005
256 15G-2 0.00000 -0.00005 -0.00008 0.00000 0.00008
257 15G+3 0.00000 -0.00002 0.00001 0.00000 0.00000
258 15G-3 0.00001 -0.00008 -0.00014 -0.00004 0.00011
259 15G+4 0.00000 -0.00001 0.00006 0.00001 -0.00001
260 15G-4 0.00000 -0.00006 -0.00006 -0.00002 0.00001
11 12 13 14 15
(E)--V (E)--V (E)--V (E)--V (A1)--V
Eigenvalues -- 0.13069 0.13069 0.16288 0.16288 0.21767
1 1 P 1S 0.00000 0.00000 0.00000 0.00000 -0.01344
2 2S 0.00000 0.00000 0.00000 0.00000 0.01599
3 3S 0.00000 0.00000 0.00000 0.00000 -0.06371
4 4S 0.00000 0.00000 0.00000 0.00000 0.10049
5 5S 0.00000 0.00000 0.00000 0.00000 -0.68923
6 6S 0.00000 0.00000 0.00000 0.00000 0.75730
7 7S 0.00000 0.00000 0.00000 0.00000 -1.60030
8 8PX -0.04686 0.00000 0.00000 -0.03091 0.00000
9 8PY 0.00000 -0.04686 -0.03091 0.00000 0.00000
10 8PZ 0.00000 0.00000 0.00000 0.00000 0.04872
11 9PX 0.05519 0.00000 0.00000 0.03731 0.00000
12 9PY 0.00000 0.05519 0.03731 0.00000 0.00000
13 9PZ 0.00000 0.00000 0.00000 0.00000 -0.06220
14 10PX 0.02675 0.00000 0.00000 0.03649 0.00000
15 10PY 0.00000 0.02675 0.03649 0.00000 0.00000
16 10PZ 0.00000 0.00000 0.00000 0.00000 -0.04925
17 11PX 0.13034 0.00000 0.00000 0.05425 0.00000
18 11PY 0.00000 0.13034 0.05425 0.00000 0.00000
19 11PZ 0.00000 0.00000 0.00000 0.00000 0.13019
20 12PX 0.56373 0.00000 0.00000 -2.71355 0.00000
21 12PY 0.00000 0.56373 -2.71355 0.00000 0.00000
22 12PZ 0.00000 0.00000 0.00000 0.00000 -1.17087
23 13PX 1.98034 0.00000 0.00000 -0.66742 0.00000
24 13PY 0.00000 1.98034 -0.66742 0.00000 0.00000
25 13PZ 0.00000 0.00000 0.00000 0.00000 2.21979
26 14D 0 0.00000 0.00000 0.00000 0.00000 -0.26858
27 14D+1 -0.36911 0.00000 0.00000 1.56349 0.00000
28 14D-1 0.00000 -0.36911 1.56349 0.00000 0.00000
29 14D+2 0.00000 -0.17374 0.95446 0.00000 0.00000
30 14D-2 -0.17374 0.00000 0.00000 0.95446 0.00000
31 15D 0 0.00000 0.00000 0.00000 0.00000 -0.01570
32 15D+1 0.10166 0.00000 0.00000 0.17860 0.00000
33 15D-1 0.00000 0.10166 0.17860 0.00000 0.00000
34 15D+2 0.00000 0.09219 0.08394 0.00000 0.00000
35 15D-2 0.09219 0.00000 0.00000 0.08394 0.00000
36 16D 0 0.00000 0.00000 0.00000 0.00000 -0.00044
37 16D+1 0.00680 0.00000 0.00000 -0.02484 0.00000
38 16D-1 0.00000 0.00680 -0.02484 0.00000 0.00000
39 16D+2 0.00000 0.00583 -0.00874 0.00000 0.00000
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45 17D-2 0.00919 0.00000 0.00000 -0.00426 0.00000
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48 18F-1 0.00000 0.05505 -0.22651 0.00000 0.00000
49 18F+2 0.00000 0.08214 -0.39458 0.00000 0.00000
50 18F-2 0.08214 0.00000 0.00000 -0.39458 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 -0.08881
53 19F 0 0.00000 0.00000 0.00000 0.00000 0.14862
54 19F+1 -0.00326 0.00000 0.00000 0.01349 0.00000
55 19F-1 0.00000 -0.00326 0.01349 0.00000 0.00000
56 19F+2 0.00000 -0.04778 0.07506 0.00000 0.00000
57 19F-2 -0.04778 0.00000 0.00000 0.07506 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 -0.15991
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61 20F+1 -0.00183 0.00000 0.00000 -0.00865 0.00000
62 20F-1 0.00000 -0.00183 -0.00865 0.00000 0.00000
63 20F+2 0.00000 0.00308 -0.02940 0.00000 0.00000
64 20F-2 0.00308 0.00000 0.00000 -0.02940 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 0.03491
67 21G 0 0.00000 0.00000 0.00000 0.00000 -0.06205
68 21G+1 -0.01216 0.00000 0.00000 -0.00067 0.00000
69 21G-1 0.00000 -0.01216 -0.00067 0.00000 0.00000
70 21G+2 0.00000 -0.00189 -0.00050 0.00000 0.00000
71 21G-2 -0.00189 0.00000 0.00000 -0.00050 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 0.15016
74 21G+4 0.00000 -0.00329 -0.02505 0.00000 0.00000
75 21G-4 0.00329 0.00000 0.00000 0.02505 0.00000
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78 22G-1 0.00000 -0.00152 -0.00276 0.00000 0.00000
79 22G+2 0.00000 0.00329 -0.00129 0.00000 0.00000
80 22G-2 0.00329 0.00000 0.00000 -0.00129 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 -0.00661
83 22G+4 0.00000 -0.00252 -0.00120 0.00000 0.00000
84 22G-4 0.00252 0.00000 0.00000 0.00120 0.00000
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87 23H-1 0.00000 0.00230 -0.00071 0.00000 0.00000
88 23H+2 0.00000 0.00177 0.00092 0.00000 0.00000
89 23H-2 0.00177 0.00000 0.00000 0.00092 0.00000
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91 23H-3 0.00000 0.00000 0.00000 0.00000 -0.02548
92 23H+4 0.00000 0.00316 0.00372 0.00000 0.00000
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95 23H-5 0.00000 -0.00187 0.00368 0.00000 0.00000
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97 2S 0.00000 -0.03257 0.02521 0.00000 0.05710
98 3S 0.00000 -0.08772 -0.05504 0.00000 -0.48371
99 4S 0.00000 -0.88435 4.95922 0.00000 0.75896
100 5S 0.00000 -1.97799 -2.17773 0.00000 0.21003
101 6PX 0.00114 0.00000 0.00000 -0.00058 0.00000
102 6PY 0.00000 -0.00119 -0.00428 0.00000 -0.00021
103 6PZ 0.00000 0.00213 0.00120 0.00000 0.00213
104 7PX -0.00158 0.00000 0.00000 0.00120 0.00000
105 7PY 0.00000 0.00559 0.01717 0.00000 -0.00315
106 7PZ 0.00000 -0.00804 -0.00429 0.00000 -0.00643
107 8PX 0.01937 0.00000 0.00000 -0.00539 0.00000
108 8PY 0.00000 -0.04812 -0.05075 0.00000 0.11606
109 8PZ 0.00000 0.05501 0.01395 0.00000 -0.04613
110 9PX -0.05266 0.00000 0.00000 0.18376 0.00000
111 9PY 0.00000 0.25784 -1.13580 0.00000 -0.15395
112 9PZ 0.00000 -0.13325 0.67874 0.00000 -0.09086
113 10D 0 0.00000 0.00059 -0.00162 0.00000 0.00023
114 10D+1 0.00079 0.00000 0.00000 -0.00246 0.00000
115 10D-1 0.00000 0.00097 -0.00274 0.00000 -0.00226
116 10D+2 0.00000 0.00089 -0.00286 0.00000 -0.00229
117 10D-2 0.00043 0.00000 0.00000 -0.00121 0.00000
118 11D 0 0.00000 -0.00260 0.00795 0.00000 -0.00035
119 11D+1 -0.00240 0.00000 0.00000 0.01007 0.00000
120 11D-1 0.00000 -0.00584 0.01586 0.00000 0.01759
121 11D+2 0.00000 -0.00505 0.01617 0.00000 0.01608
122 11D-2 -0.00278 0.00000 0.00000 0.00672 0.00000
123 12D 0 0.00000 0.01573 -0.02608 0.00000 -0.01319
124 12D+1 0.00814 0.00000 0.00000 -0.00785 0.00000
125 12D-1 0.00000 -0.00125 -0.12119 0.00000 -0.02055
126 12D+2 0.00000 0.01093 -0.10644 0.00000 -0.03504
127 12D-2 0.01491 0.00000 0.00000 -0.06458 0.00000
128 13F 0 0.00000 -0.00021 0.00038 0.00000 0.00190
129 13F+1 -0.00001 0.00000 0.00000 -0.00014 0.00000
130 13F-1 0.00000 -0.00012 0.00066 0.00000 0.00056
131 13F+2 0.00000 -0.00040 0.00150 0.00000 0.00186
132 13F-2 -0.00022 0.00000 0.00000 0.00118 0.00000
133 13F+3 -0.00043 0.00000 0.00000 0.00112 0.00000
134 13F-3 0.00000 0.00029 -0.00058 0.00000 -0.00221
135 14F 0 0.00000 0.00019 -0.00474 0.00000 -0.00844
136 14F+1 0.00024 0.00000 0.00000 0.00086 0.00000
137 14F-1 0.00000 -0.00127 -0.00611 0.00000 -0.00091
138 14F+2 0.00000 -0.00006 -0.01361 0.00000 -0.00767
139 14F-2 0.00102 0.00000 0.00000 -0.00938 0.00000
140 14F+3 0.00259 0.00000 0.00000 -0.01050 0.00000
141 14F-3 0.00000 -0.00080 0.00656 0.00000 0.00953
142 15G 0 0.00000 -0.00002 -0.00038 0.00000 -0.00005
143 15G+1 -0.00003 0.00000 0.00000 -0.00010 0.00000
144 15G-1 0.00000 -0.00005 0.00023 0.00000 0.00021
145 15G+2 0.00000 -0.00005 -0.00058 0.00000 -0.00032
146 15G-2 0.00003 0.00000 0.00000 -0.00007 0.00000
147 15G+3 -0.00001 0.00000 0.00000 -0.00046 0.00000
148 15G-3 0.00000 -0.00004 0.00086 0.00000 0.00017
149 15G+4 0.00000 -0.00004 0.00030 0.00000 0.00022
150 15G-4 -0.00004 0.00000 0.00000 0.00053 0.00000
151 3 H 1S -0.01503 0.00868 -0.00472 0.00817 0.00305
152 2S -0.02821 0.01629 -0.01261 0.02183 0.05710
153 3S -0.07597 0.04386 0.02752 -0.04767 -0.48371
154 4S -0.76587 0.44218 -2.47961 4.29481 0.75896
155 5S -1.71299 0.98900 1.08887 -1.88597 0.21003
156 6PX -0.00061 0.00101 0.00160 -0.00335 -0.00018
157 6PY 0.00101 0.00056 -0.00151 0.00160 0.00010
158 6PZ 0.00184 -0.00106 -0.00060 0.00104 0.00213
159 7PX 0.00379 -0.00310 -0.00691 0.01318 -0.00273
160 7PY -0.00310 0.00021 0.00519 -0.00691 0.00158
161 7PZ -0.00696 0.00402 0.00214 -0.00371 -0.00643
162 8PX -0.03125 0.02922 0.01964 -0.03941 0.10051
163 8PY 0.02922 0.00249 -0.01673 0.01964 -0.05803
164 8PZ 0.04764 -0.02751 -0.00697 0.01208 -0.04613
165 9PX 0.18021 -0.13445 0.57139 -0.80591 -0.13333
166 9PY -0.13445 0.02496 -0.14613 0.57139 0.07698
167 9PZ -0.11540 0.06663 -0.33937 0.58780 -0.09086
168 10D 0 0.00051 -0.00030 0.00081 -0.00141 0.00023
169 10D+1 0.00092 -0.00007 0.00012 -0.00267 -0.00196
170 10D-1 -0.00007 0.00084 -0.00253 0.00012 0.00113
171 10D+2 -0.00020 0.00054 -0.00162 0.00072 0.00115
172 10D-2 0.00077 -0.00020 0.00072 -0.00245 -0.00198
173 11D 0 -0.00225 0.00130 -0.00398 0.00689 -0.00035
174 11D+1 -0.00498 0.00149 -0.00251 0.01441 0.01523
175 11D-1 0.00149 -0.00326 0.01152 -0.00251 -0.00879
176 11D+2 0.00098 -0.00335 0.00908 -0.00409 -0.00804
177 11D-2 -0.00449 0.00098 -0.00409 0.01381 0.01393
178 12D 0 0.01362 -0.00787 0.01304 -0.02259 -0.01319
179 12D+1 0.00110 0.00407 0.04908 -0.09286 -0.01780
180 12D-1 0.00407 0.00579 -0.03619 0.04908 0.01027
181 12D+2 0.00173 0.01392 -0.07505 0.01813 0.01752
182 12D-2 0.01192 0.00173 0.01813 -0.09598 -0.03034
183 13F 0 -0.00018 0.00010 -0.00019 0.00033 0.00190
184 13F+1 -0.00010 0.00005 -0.00035 0.00046 0.00048
185 13F-1 0.00005 -0.00004 0.00006 -0.00035 -0.00028
186 13F+2 0.00008 -0.00027 0.00126 -0.00014 -0.00093
187 13F-2 -0.00036 0.00008 -0.00014 0.00142 0.00161
188 13F+3 0.00021 0.00037 -0.00097 -0.00056 0.00000
189 13F-3 0.00025 -0.00015 0.00029 -0.00050 -0.00221
190 14F 0 0.00017 -0.00010 0.00237 -0.00411 -0.00844
191 14F+1 -0.00089 0.00065 0.00302 -0.00437 -0.00079
192 14F-1 0.00065 -0.00013 -0.00088 0.00302 0.00046
193 14F+2 0.00047 0.00075 -0.01044 0.00183 0.00383
194 14F-2 0.00021 0.00047 0.00183 -0.01255 -0.00664
195 14F+3 -0.00130 -0.00225 0.00909 0.00525 0.00000
196 14F-3 -0.00070 0.00040 -0.00328 0.00568 0.00953
197 15G 0 -0.00002 0.00001 0.00019 -0.00033 -0.00005
198 15G+1 -0.00005 0.00001 -0.00014 0.00015 0.00019
199 15G-1 0.00001 -0.00003 -0.00001 -0.00014 -0.00011
200 15G+2 0.00003 0.00001 -0.00020 0.00022 0.00016
201 15G-2 -0.00003 0.00003 0.00022 -0.00045 -0.00028
202 15G+3 0.00000 0.00001 0.00040 0.00023 0.00000
203 15G-3 -0.00003 0.00002 -0.00043 0.00074 0.00017
204 15G+4 0.00004 0.00002 -0.00032 -0.00036 -0.00011
205 15G-4 0.00002 -0.00004 0.00036 -0.00010 -0.00019
206 4 H 1S 0.01503 0.00868 -0.00472 -0.00817 0.00305
207 2S 0.02821 0.01629 -0.01261 -0.02183 0.05710
208 3S 0.07597 0.04386 0.02752 0.04767 -0.48371
209 4S 0.76587 0.44218 -2.47961 -4.29481 0.75896
210 5S 1.71299 0.98900 1.08887 1.88597 0.21003
211 6PX -0.00061 -0.00101 -0.00160 -0.00335 0.00018
212 6PY -0.00101 0.00056 -0.00151 -0.00160 0.00010
213 6PZ -0.00184 -0.00106 -0.00060 -0.00104 0.00213
214 7PX 0.00379 0.00310 0.00691 0.01318 0.00273
215 7PY 0.00310 0.00021 0.00519 0.00691 0.00158
216 7PZ 0.00696 0.00402 0.00214 0.00371 -0.00643
217 8PX -0.03125 -0.02922 -0.01964 -0.03941 -0.10051
218 8PY -0.02922 0.00249 -0.01673 -0.01964 -0.05803
219 8PZ -0.04764 -0.02751 -0.00697 -0.01208 -0.04613
220 9PX 0.18021 0.13445 -0.57139 -0.80591 0.13333
221 9PY 0.13445 0.02496 -0.14613 -0.57139 0.07698
222 9PZ 0.11540 0.06663 -0.33937 -0.58780 -0.09086
223 10D 0 -0.00051 -0.00030 0.00081 0.00141 0.00023
224 10D+1 0.00092 0.00007 -0.00012 -0.00267 0.00196
225 10D-1 0.00007 0.00084 -0.00253 -0.00012 0.00113
226 10D+2 0.00020 0.00054 -0.00162 -0.00072 0.00115
227 10D-2 0.00077 0.00020 -0.00072 -0.00245 0.00198
228 11D 0 0.00225 0.00130 -0.00398 -0.00689 -0.00035
229 11D+1 -0.00498 -0.00149 0.00251 0.01441 -0.01523
230 11D-1 -0.00149 -0.00326 0.01152 0.00251 -0.00879
231 11D+2 -0.00098 -0.00335 0.00908 0.00409 -0.00804
232 11D-2 -0.00449 -0.00098 0.00409 0.01381 -0.01393
233 12D 0 -0.01362 -0.00787 0.01304 0.02259 -0.01319
234 12D+1 0.00110 -0.00407 -0.04908 -0.09286 0.01780
235 12D-1 -0.00407 0.00579 -0.03619 -0.04908 0.01027
236 12D+2 -0.00173 0.01392 -0.07505 -0.01813 0.01752
237 12D-2 0.01192 -0.00173 -0.01813 -0.09598 0.03034
238 13F 0 0.00018 0.00010 -0.00019 -0.00033 0.00190
239 13F+1 -0.00010 -0.00005 0.00035 0.00046 -0.00048
240 13F-1 -0.00005 -0.00004 0.00006 0.00035 -0.00028
241 13F+2 -0.00008 -0.00027 0.00126 0.00014 -0.00093
242 13F-2 -0.00036 -0.00008 0.00014 0.00142 -0.00161
243 13F+3 0.00021 -0.00037 0.00097 -0.00056 0.00000
244 13F-3 -0.00025 -0.00015 0.00029 0.00050 -0.00221
245 14F 0 -0.00017 -0.00010 0.00237 0.00411 -0.00844
246 14F+1 -0.00089 -0.00065 -0.00302 -0.00437 0.00079
247 14F-1 -0.00065 -0.00013 -0.00088 -0.00302 0.00046
248 14F+2 -0.00047 0.00075 -0.01044 -0.00183 0.00383
249 14F-2 0.00021 -0.00047 -0.00183 -0.01255 0.00664
250 14F+3 -0.00130 0.00225 -0.00909 0.00525 0.00000
251 14F-3 0.00070 0.00040 -0.00328 -0.00568 0.00953
252 15G 0 0.00002 0.00001 0.00019 0.00033 -0.00005
253 15G+1 -0.00005 -0.00001 0.00014 0.00015 -0.00019
254 15G-1 -0.00001 -0.00003 -0.00001 0.00014 -0.00011
255 15G+2 -0.00003 0.00001 -0.00020 -0.00022 0.00016
256 15G-2 -0.00003 -0.00003 -0.00022 -0.00045 0.00028
257 15G+3 0.00000 -0.00001 -0.00040 0.00023 0.00000
258 15G-3 0.00003 0.00002 -0.00043 -0.00074 0.00017
259 15G+4 -0.00004 0.00002 -0.00032 0.00036 -0.00011
260 15G-4 0.00002 0.00004 -0.00036 -0.00010 0.00019
16 17 18 19 20
(A1)--V (E)--V (E)--V (E)--V (E)--V
Eigenvalues -- 0.32062 0.32574 0.32574 0.34163 0.34163
1 1 P 1S -0.00059 0.00000 0.00000 0.00000 0.00000
2 2S 0.00169 0.00000 0.00000 0.00000 0.00000
3 3S 0.00032 0.00000 0.00000 0.00000 0.00000
4 4S 0.04718 0.00000 0.00000 0.00000 0.00000
5 5S -0.95126 0.00000 0.00000 0.00000 0.00000
6 6S 2.91483 0.00000 0.00000 0.00000 0.00000
7 7S 5.71535 0.00000 0.00000 0.00000 0.00000
8 8PX 0.00000 0.01979 0.00000 0.06818 0.00000
9 8PY 0.00000 0.00000 0.01979 0.00000 0.06818
10 8PZ 0.01607 0.00000 0.00000 0.00000 0.00000
11 9PX 0.00000 -0.02820 0.00000 -0.08307 0.00000
12 9PY 0.00000 0.00000 -0.02820 0.00000 -0.08307
13 9PZ -0.01334 0.00000 0.00000 0.00000 0.00000
14 10PX 0.00000 -0.02548 0.00000 -0.02707 0.00000
15 10PY 0.00000 0.00000 -0.02548 0.00000 -0.02707
16 10PZ 0.01942 0.00000 0.00000 0.00000 0.00000
17 11PX 0.00000 -0.02989 0.00000 -0.29177 0.00000
18 11PY 0.00000 0.00000 -0.02989 0.00000 -0.29177
19 11PZ -0.02384 0.00000 0.00000 0.00000 0.00000
20 12PX 0.00000 0.47996 0.00000 1.00985 0.00000
21 12PY 0.00000 0.00000 0.47996 0.00000 1.00985
22 12PZ -2.90086 0.00000 0.00000 0.00000 0.00000
23 13PX 0.00000 1.12778 0.00000 2.85715 0.00000
24 13PY 0.00000 0.00000 1.12778 0.00000 2.85715
25 13PZ -0.97261 0.00000 0.00000 0.00000 0.00000
26 14D 0 0.59447 0.00000 0.00000 0.00000 0.00000
27 14D+1 0.00000 -0.15330 0.00000 -1.85009 0.00000
28 14D-1 0.00000 0.00000 -0.15330 0.00000 -1.85009
29 14D+2 0.00000 0.00000 -0.99650 0.00000 -0.85731
30 14D-2 0.00000 -0.99650 0.00000 -0.85731 0.00000
31 15D 0 -0.01130 0.00000 0.00000 0.00000 0.00000
32 15D+1 0.00000 -0.03702 0.00000 0.01862 0.00000
33 15D-1 0.00000 0.00000 -0.03702 0.00000 0.01862
34 15D+2 0.00000 0.00000 -0.03236 0.00000 0.03258
35 15D-2 0.00000 -0.03236 0.00000 0.03258 0.00000
36 16D 0 0.08934 0.00000 0.00000 0.00000 0.00000
37 16D+1 0.00000 0.04597 0.00000 -0.06689 0.00000
38 16D-1 0.00000 0.00000 0.04597 0.00000 -0.06689
39 16D+2 0.00000 0.00000 -0.08015 0.00000 -0.01335
40 16D-2 0.00000 -0.08015 0.00000 -0.01335 0.00000
41 17D 0 0.01258 0.00000 0.00000 0.00000 0.00000
42 17D+1 0.00000 0.00511 0.00000 -0.01275 0.00000
43 17D-1 0.00000 0.00000 0.00511 0.00000 -0.01275
44 17D+2 0.00000 0.00000 -0.01354 0.00000 -0.00381
45 17D-2 0.00000 -0.01354 0.00000 -0.00381 0.00000
46 18F 0 0.26110 0.00000 0.00000 0.00000 0.00000
47 18F+1 0.00000 0.06300 0.00000 0.22442 0.00000
48 18F-1 0.00000 0.00000 0.06300 0.00000 0.22442
49 18F+2 0.00000 0.00000 0.14205 0.00000 0.34409
50 18F-2 0.00000 0.14205 0.00000 0.34409 0.00000
51 18F+3 0.00000 0.00000 0.00000 0.00000 0.00000
52 18F-3 -0.32489 0.00000 0.00000 0.00000 0.00000
53 19F 0 0.04007 0.00000 0.00000 0.00000 0.00000
54 19F+1 0.00000 -0.02454 0.00000 0.01856 0.00000
55 19F-1 0.00000 0.00000 -0.02454 0.00000 0.01856
56 19F+2 0.00000 0.00000 0.02944 0.00000 -0.07410
57 19F-2 0.00000 0.02944 0.00000 -0.07410 0.00000
58 19F+3 0.00000 0.00000 0.00000 0.00000 0.00000
59 19F-3 -0.03449 0.00000 0.00000 0.00000 0.00000
60 20F 0 0.00199 0.00000 0.00000 0.00000 0.00000
61 20F+1 0.00000 0.00640 0.00000 -0.00290 0.00000
62 20F-1 0.00000 0.00000 0.00640 0.00000 -0.00290
63 20F+2 0.00000 0.00000 -0.00237 0.00000 0.00972
64 20F-2 0.00000 -0.00237 0.00000 0.00972 0.00000
65 20F+3 0.00000 0.00000 0.00000 0.00000 0.00000
66 20F-3 -0.00559 0.00000 0.00000 0.00000 0.00000
67 21G 0 -0.06599 0.00000 0.00000 0.00000 0.00000
68 21G+1 0.00000 0.00869 0.00000 -0.01872 0.00000
69 21G-1 0.00000 0.00000 0.00869 0.00000 -0.01872
70 21G+2 0.00000 0.00000 -0.01705 0.00000 -0.03302
71 21G-2 0.00000 -0.01705 0.00000 -0.03302 0.00000
72 21G+3 0.00000 0.00000 0.00000 0.00000 0.00000
73 21G-3 0.08162 0.00000 0.00000 0.00000 0.00000
74 21G+4 0.00000 0.00000 -0.00005 0.00000 0.00426
75 21G-4 0.00000 0.00005 0.00000 -0.00426 0.00000
76 22G 0 0.00194 0.00000 0.00000 0.00000 0.00000
77 22G+1 0.00000 -0.00138 0.00000 -0.00425 0.00000
78 22G-1 0.00000 0.00000 -0.00138 0.00000 -0.00425
79 22G+2 0.00000 0.00000 0.00197 0.00000 0.00940
80 22G-2 0.00000 0.00197 0.00000 0.00940 0.00000
81 22G+3 0.00000 0.00000 0.00000 0.00000 0.00000
82 22G-3 0.00088 0.00000 0.00000 0.00000 0.00000
83 22G+4 0.00000 0.00000 -0.00011 0.00000 -0.00754
84 22G-4 0.00000 0.00011 0.00000 0.00754 0.00000
85 23H 0 0.00767 0.00000 0.00000 0.00000 0.00000
86 23H+1 0.00000 0.00031 0.00000 0.00211 0.00000
87 23H-1 0.00000 0.00000 0.00031 0.00000 0.00211
88 23H+2 0.00000 0.00000 -0.00043 0.00000 0.00609
89 23H-2 0.00000 -0.00043 0.00000 0.00609 0.00000
90 23H+3 0.00000 0.00000 0.00000 0.00000 0.00000
91 23H-3 -0.01380 0.00000 0.00000 0.00000 0.00000
92 23H+4 0.00000 0.00000 0.00303 0.00000 0.00579
93 23H-4 0.00000 -0.00303 0.00000 -0.00579 0.00000
94 23H+5 0.00000 -0.00356 0.00000 0.00321 0.00000
95 23H-5 0.00000 0.00000 0.00356 0.00000 -0.00321
96 2 H 1S -0.00723 0.00000 0.00461 0.00000 0.01345
97 2S 0.00741 0.00000 0.03754 0.00000 0.08454
98 3S -0.18848 0.00000 -0.08140 0.00000 -0.08522
99 4S -2.83931 0.00000 -0.88150 0.00000 -2.06120
100 5S -0.59234 0.00000 -1.00712 0.00000 -2.74170
101 6PX 0.00000 0.00578 0.00000 0.00012 0.00000
102 6PY 0.00324 0.00000 -0.00254 0.00000 -0.00269
103 6PZ 0.00204 0.00000 -0.00126 0.00000 0.00586
104 7PX 0.00000 -0.03875 0.00000 -0.00033 0.00000
105 7PY -0.02402 0.00000 0.01562 0.00000 0.01604
106 7PZ -0.01472 0.00000 0.01066 0.00000 -0.03610
107 8PX 0.00000 0.09061 0.00000 0.01120 0.00000
108 8PY 0.10211 0.00000 -0.03279 0.00000 -0.08989
109 8PZ -0.00290 0.00000 -0.01963 0.00000 0.13438
110 9PX 0.00000 -0.22470 0.00000 -0.10952 0.00000
111 9PY 0.70479 0.00000 0.41480 0.00000 0.85595
112 9PZ -0.57219 0.00000 -0.12820 0.00000 -0.53121
113 10D 0 0.00166 0.00000 -0.00134 0.00000 0.00159
114 10D+1 0.00000 0.00234 0.00000 0.00159 0.00000
115 10D-1 -0.00011 0.00000 0.00089 0.00000 0.00173
116 10D+2 0.00221 0.00000 -0.00041 0.00000 0.00220
117 10D-2 0.00000 -0.00244 0.00000 0.00255 0.00000
118 11D 0 -0.00755 0.00000 0.00650 0.00000 -0.00884
119 11D+1 0.00000 -0.01031 0.00000 -0.00804 0.00000
120 11D-1 0.00115 0.00000 -0.00403 0.00000 -0.00899
121 11D+2 -0.01047 0.00000 0.00090 0.00000 -0.01197
122 11D-2 0.00000 0.01189 0.00000 -0.01163 0.00000
123 12D 0 0.03354 0.00000 -0.01002 0.00000 0.04778
124 12D+1 0.00000 0.02437 0.00000 0.01998 0.00000
125 12D-1 0.06680 0.00000 0.02392 0.00000 -0.02205
126 12D+2 0.08614 0.00000 0.00944 0.00000 0.02615
127 12D-2 0.00000 -0.03271 0.00000 0.04407 0.00000
128 13F 0 0.00047 0.00000 -0.00035 0.00000 -0.00013
129 13F+1 0.00000 0.00066 0.00000 -0.00016 0.00000
130 13F-1 -0.00090 0.00000 0.00052 0.00000 -0.00021
131 13F+2 -0.00017 0.00000 -0.00015 0.00000 -0.00012
132 13F-2 0.00000 -0.00168 0.00000 0.00054 0.00000
133 13F+3 0.00000 -0.00057 0.00000 -0.00070 0.00000
134 13F-3 -0.00013 0.00000 0.00099 0.00000 0.00009
135 14F 0 0.00139 0.00000 0.00277 0.00000 -0.00236
136 14F+1 0.00000 -0.00363 0.00000 -0.00005 0.00000
137 14F-1 0.00451 0.00000 -0.00304 0.00000 -0.00408
138 14F+2 0.00580 0.00000 0.00119 0.00000 -0.00562
139 14F-2 0.00000 0.00865 0.00000 -0.00166 0.00000
140 14F+3 0.00000 0.00277 0.00000 0.00364 0.00000
141 14F-3 -0.00228 0.00000 -0.00456 0.00000 0.00179
142 15G 0 0.00028 0.00000 0.00005 0.00000 -0.00024
143 15G+1 0.00000 0.00012 0.00000 -0.00015 0.00000
144 15G-1 -0.00022 0.00000 -0.00038 0.00000 0.00015
145 15G+2 0.00034 0.00000 -0.00017 0.00000 -0.00027
146 15G-2 0.00000 0.00033 0.00000 0.00016 0.00000
147 15G+3 0.00000 0.00051 0.00000 -0.00014 0.00000
148 15G-3 -0.00036 0.00000 0.00001 0.00000 0.00028
149 15G+4 -0.00001 0.00000 -0.00008 0.00000 0.00009
150 15G-4 0.00000 -0.00021 0.00000 0.00007 0.00000
151 3 H 1S -0.00723 0.00399 -0.00230 0.01165 -0.00673
152 2S 0.00741 0.03251 -0.01877 0.07321 -0.04227
153 3S -0.18848 -0.07049 0.04070 -0.07380 0.04261
154 4S -2.83931 -0.76340 0.44075 -1.78505 1.03060
155 5S -0.59234 -0.87219 0.50356 -2.37439 1.37085
156 6PX 0.00281 -0.00046 0.00360 -0.00199 0.00121
157 6PY -0.00162 0.00360 0.00370 0.00121 -0.00059
158 6PZ 0.00204 -0.00109 0.00063 0.00507 -0.00293
159 7PX -0.02081 0.00203 -0.02354 0.01195 -0.00709
160 7PY 0.01201 -0.02354 -0.02516 -0.00709 0.00376
161 7PZ -0.01472 0.00923 -0.00533 -0.03126 0.01805
162 8PX 0.08843 -0.00194 0.05343 -0.06462 0.04377
163 8PY -0.05105 0.05343 0.05976 0.04377 -0.01408
164 8PZ -0.00290 -0.01700 0.00982 0.11638 -0.06719
165 9PX 0.61036 0.25492 -0.27691 0.61458 -0.41806
166 9PY -0.35239 -0.27691 -0.06483 -0.41806 0.13185
167 9PZ -0.57219 -0.11103 0.06410 -0.46004 0.26560
168 10D 0 0.00166 -0.00116 0.00067 0.00138 -0.00080
169 10D+1 -0.00009 0.00125 0.00063 0.00169 -0.00006
170 10D-1 0.00005 0.00063 0.00197 -0.00006 0.00162
171 10D+2 -0.00110 -0.00088 -0.00193 0.00015 0.00246
172 10D-2 0.00191 -0.00092 -0.00088 0.00229 0.00015
173 11D 0 -0.00755 0.00563 -0.00325 -0.00765 0.00442
174 11D+1 0.00100 -0.00560 -0.00272 -0.00875 0.00041
175 11D-1 -0.00058 -0.00272 -0.00874 0.00041 -0.00828
176 11D+2 0.00523 0.00476 0.00914 0.00015 -0.01171
177 11D-2 -0.00906 0.00365 0.00476 -0.01189 0.00015
178 12D 0 0.03354 -0.00868 0.00501 0.04138 -0.02389
179 12D+1 0.05785 0.02403 0.00020 -0.01154 0.01820
180 12D-1 -0.03340 0.00020 0.02426 0.01820 0.00947
181 12D+2 -0.04307 -0.01825 -0.02217 0.00776 0.03959
182 12D-2 0.07460 -0.00110 -0.01825 0.03063 0.00776
183 13F 0 0.00047 -0.00031 0.00018 -0.00011 0.00007
184 13F+1 -0.00078 0.00055 0.00006 -0.00019 0.00002
185 13F-1 0.00045 0.00006 0.00063 0.00002 -0.00017
186 13F+2 0.00008 -0.00066 -0.00130 0.00029 0.00037
187 13F-2 -0.00014 -0.00054 -0.00066 0.00004 0.00029
188 13F+3 0.00000 0.00029 0.00050 0.00035 0.00061
189 13F-3 -0.00013 0.00086 -0.00050 0.00008 -0.00005
190 14F 0 0.00139 0.00240 -0.00138 -0.00204 0.00118
191 14F+1 0.00391 -0.00319 -0.00025 -0.00307 0.00175
192 14F-1 -0.00226 -0.00025 -0.00348 0.00175 -0.00106
193 14F+2 -0.00290 0.00323 0.00678 0.00171 -0.00265
194 14F-2 0.00502 0.00306 0.00323 -0.00463 0.00171
195 14F+3 0.00000 -0.00139 -0.00240 -0.00182 -0.00315
196 14F-3 -0.00228 -0.00395 0.00228 0.00155 -0.00089
197 15G 0 0.00028 0.00004 -0.00003 -0.00021 0.00012
198 15G+1 -0.00019 -0.00026 0.00022 0.00007 -0.00013
199 15G-1 0.00011 0.00022 -0.00001 -0.00013 -0.00007
200 15G+2 -0.00017 0.00022 0.00021 0.00019 0.00005
201 15G-2 0.00030 -0.00004 0.00022 -0.00016 0.00019
202 15G+3 0.00000 -0.00025 -0.00044 0.00007 0.00012
203 15G-3 -0.00036 0.00001 -0.00001 0.00024 -0.00014
204 15G+4 0.00001 0.00013 0.00014 -0.00007 -0.00003
205 15G-4 0.00001 0.00001 -0.00013 -0.00005 0.00007
206 4 H 1S -0.00723 -0.00399 -0.00230 -0.01165 -0.00673
207 2S 0.00741 -0.03251 -0.01877 -0.07321 -0.04227
208 3S -0.18848 0.07049 0.04070 0.07380 0.04261
209 4S -2.83931 0.76340 0.44075 1.78505 1.03060
210 5S -0.59234 0.87219 0.50356 2.37439 1.37085
211 6PX -0.00281 -0.00046 -0.00360 -0.00199 -0.00121
212 6PY -0.00162 -0.00360 0.00370 -0.00121 -0.00059
213 6PZ 0.00204 0.00109 0.00063 -0.00507 -0.00293
214 7PX 0.02081 0.00203 0.02354 0.01195 0.00709
215 7PY 0.01201 0.02354 -0.02516 0.00709 0.00376
216 7PZ -0.01472 -0.00923 -0.00533 0.03126 0.01805
217 8PX -0.08843 -0.00194 -0.05343 -0.06462 -0.04377
218 8PY -0.05105 -0.05343 0.05976 -0.04377 -0.01408
219 8PZ -0.00290 0.01700 0.00982 -0.11638 -0.06719
220 9PX -0.61036 0.25492 0.27691 0.61458 0.41806
221 9PY -0.35239 0.27691 -0.06483 0.41806 0.13185
222 9PZ -0.57219 0.11103 0.06410 0.46004 0.26560
223 10D 0 0.00166 0.00116 0.00067 -0.00138 -0.00080
224 10D+1 0.00009 0.00125 -0.00063 0.00169 0.00006
225 10D-1 0.00005 -0.00063 0.00197 0.00006 0.00162
226 10D+2 -0.00110 0.00088 -0.00193 -0.00015 0.00246
227 10D-2 -0.00191 -0.00092 0.00088 0.00229 -0.00015
228 11D 0 -0.00755 -0.00563 -0.00325 0.00765 0.00442
229 11D+1 -0.00100 -0.00560 0.00272 -0.00875 -0.00041
230 11D-1 -0.00058 0.00272 -0.00874 -0.00041 -0.00828
231 11D+2 0.00523 -0.00476 0.00914 -0.00015 -0.01171
232 11D-2 0.00906 0.00365 -0.00476 -0.01189 -0.00015
233 12D 0 0.03354 0.00868 0.00501 -0.04138 -0.02389
234 12D+1 -0.05785 0.02403 -0.00020 -0.01154 -0.01820
235 12D-1 -0.03340 -0.00020 0.02426 -0.01820 0.00947
236 12D+2 -0.04307 0.01825 -0.02217 -0.00776 0.03959
237 12D-2 -0.07460 -0.00110 0.01825 0.03063 -0.00776
238 13F 0 0.00047 0.00031 0.00018 0.00011 0.00007
239 13F+1 0.00078 0.00055 -0.00006 -0.00019 -0.00002
240 13F-1 0.00045 -0.00006 0.00063 -0.00002 -0.00017
241 13F+2 0.00008 0.00066 -0.00130 -0.00029 0.00037
242 13F-2 0.00014 -0.00054 0.00066 0.00004 -0.00029
243 13F+3 0.00000 0.00029 -0.00050 0.00035 -0.00061
244 13F-3 -0.00013 -0.00086 -0.00050 -0.00008 -0.00005
245 14F 0 0.00139 -0.00240 -0.00138 0.00204 0.00118
246 14F+1 -0.00391 -0.00319 0.00025 -0.00307 -0.00175
247 14F-1 -0.00226 0.00025 -0.00348 -0.00175 -0.00106
248 14F+2 -0.00290 -0.00323 0.00678 -0.00171 -0.00265
249 14F-2 -0.00502 0.00306 -0.00323 -0.00463 -0.00171
250 14F+3 0.00000 -0.00139 0.00240 -0.00182 0.00315
251 14F-3 -0.00228 0.00395 0.00228 -0.00155 -0.00089
252 15G 0 0.00028 -0.00004 -0.00003 0.00021 0.00012
253 15G+1 0.00019 -0.00026 -0.00022 0.00007 0.00013
254 15G-1 0.00011 -0.00022 -0.00001 0.00013 -0.00007
255 15G+2 -0.00017 -0.00022 0.00021 -0.00019 0.00005
256 15G-2 -0.00030 -0.00004 -0.00022 -0.00016 -0.00019
257 15G+3 0.00000 -0.00025 0.00044 0.00007 -0.00012
258 15G-3 -0.00036 -0.00001 -0.00001 -0.00024 -0.00014
259 15G+4 0.00001 -0.00013 0.00014 0.00007 -0.00003
260 15G-4 -0.00001 0.00001 0.00013 -0.00005 -0.00007
21 22 23 24 25
(A1)--V (A1)--V (E)--V (E)--V (A2)--V
Eigenvalues -- 0.36426 0.41434 0.51211 0.51211 0.63900
1 1 P 1S -0.03412 0.02840 0.00000 0.00000 0.00000
2 2S 0.04580 -0.03447 0.00000 0.00000 0.00000
3 3S -0.16839 0.15490 0.00000 0.00000 0.00000
4 4S 0.10542 0.12834 0.00000 0.00000 0.00000
5 5S -1.88089 -2.43108 0.00000 0.00000 0.00000
6 6S 4.47815 8.26455 0.00000 0.00000 0.00000
7 7S 16.21433 5.21354 0.00000 0.00000 0.00000
8 8PX 0.00000 0.00000 0.00000 0.04947 0.00000
9 8PY 0.00000 0.00000 0.04947 0.00000 0.00000
10 8PZ -0.01272 0.06287 0.00000 0.00000 0.00000
11 9PX 0.00000 0.00000 0.00000 -0.03755 0.00000
12 9PY 0.00000 0.00000 -0.03755 0.00000 0.00000
13 9PZ 0.03078 -0.03885 0.00000 0.00000 0.00000
14 10PX 0.00000 0.00000 0.00000 0.07711 0.00000
15 10PY 0.00000 0.00000 0.07711 0.00000 0.00000
16 10PZ 0.07639 0.10354 0.00000 0.00000 0.00000
17 11PX 0.00000 0.00000 0.00000 0.00694 0.00000
18 11PY 0.00000 0.00000 0.00694 0.00000 0.00000
19 11PZ 0.02099 -0.33067 0.00000 0.00000 0.00000
20 12PX 0.00000 0.00000 0.00000 -9.94743 0.00000
21 12PY 0.00000 0.00000 -9.94743 0.00000 0.00000
22 12PZ -5.71390 -5.16394 0.00000 0.00000 0.00000
23 13PX 0.00000 0.00000 0.00000 -0.89167 0.00000
24 13PY 0.00000 0.00000 -0.89167 0.00000 0.00000
25 13PZ -3.72037 -0.89318 0.00000 0.00000 0.00000
26 14D 0 -0.43970 -0.72772 0.00000 0.00000 0.00000
27 14D+1 0.00000 0.00000 0.00000 5.20280 0.00000
28 14D-1 0.00000 0.00000 5.20280 0.00000 0.00000
29 14D+2 0.00000 0.00000 4.17259 0.00000 0.00000
30 14D-2 0.00000 0.00000 0.00000 4.17259 0.00000
31 15D 0 -0.03379 -0.12002 0.00000 0.00000 0.00000
32 15D+1 0.00000 0.00000 0.00000 0.91559 0.00000
33 15D-1 0.00000 0.00000 0.91559 0.00000 0.00000
34 15D+2 0.00000 0.00000 0.69684 0.00000 0.00000
35 15D-2 0.00000 0.00000 0.00000 0.69684 0.00000
36 16D 0 -0.02656 -0.01499 0.00000 0.00000 0.00000
37 16D+1 0.00000 0.00000 0.00000 -0.10055 0.00000
38 16D-1 0.00000 0.00000 -0.10055 0.00000 0.00000
39 16D+2 0.00000 0.00000 -0.07078 0.00000 0.00000
40 16D-2 0.00000 0.00000 0.00000 -0.07078 0.00000
41 17D 0 -0.00546 -0.00846 0.00000 0.00000 0.00000
42 17D+1 0.00000 0.00000 0.00000 0.02944 0.00000
43 17D-1 0.00000 0.00000 0.02944 0.00000 0.00000
44 17D+2 0.00000 0.00000 0.02248 0.00000 0.00000
45 17D-2 0.00000 0.00000 0.00000 0.02248 0.00000
46 18F 0 0.66057 0.48702 0.00000 0.00000 0.00000
47 18F+1 0.00000 0.00000 0.00000 -0.53857 0.00000
48 18F-1 0.00000 0.00000 -0.53857 0.00000 0.00000
49 18F+2 0.00000 0.00000 -1.32338 0.00000 0.00000
50 18F-2 0.00000 0.00000 0.00000 -1.32338 0.00000
51 18F+3 0.00000 0.00000 0.00000 0.00000 0.05886
52 18F-3 -0.71507 -0.51870 0.00000 0.00000 0.00000
53 19F 0 0.09729 0.27875 0.00000 0.00000 0.00000
54 19F+1 0.00000 0.00000 0.00000 -0.12331 0.00000
55 19F-1 0.00000 0.00000 -0.12331 0.00000 0.00000
56 19F+2 0.00000 0.00000 -0.35424 0.00000 0.00000
57 19F-2 0.00000 0.00000 0.00000 -0.35424 0.00000
58 19F+3 0.00000 0.00000 0.00000 0.00000 0.48275
59 19F-3 -0.11852 -0.33105 0.00000 0.00000 0.00000
60 20F 0 0.00438 -0.02428 0.00000 0.00000 0.00000
61 20F+1 0.00000 0.00000 0.00000 0.00509 0.00000
62 20F-1 0.00000 0.00000 0.00509 0.00000 0.00000
63 20F+2 0.00000 0.00000 0.01857 0.00000 0.00000
64 20F-2 0.00000 0.00000 0.00000 0.01857 0.00000
65 20F+3 0.00000 0.00000 0.00000 0.00000 -0.09344
66 20F-3 -0.00204 0.03257 0.00000 0.00000 0.00000
67 21G 0 -0.10688 -0.10744 0.00000 0.00000 0.00000
68 21G+1 0.00000 0.00000 0.00000 -0.09608 0.00000
69 21G-1 0.00000 0.00000 -0.09608 0.00000 0.00000
70 21G+2 0.00000 0.00000 0.21903 0.00000 0.00000
71 21G-2 0.00000 0.00000 0.00000 0.21903 0.00000
72 21G+3 0.00000 0.00000 0.00000 0.00000 -0.32623
73 21G-3 0.18740 0.26264 0.00000 0.00000 0.00000
74 21G+4 0.00000 0.00000 -0.10759 0.00000 0.00000
75 21G-4 0.00000 0.00000 0.00000 0.10759 0.00000
76 22G 0 0.00315 -0.00947 0.00000 0.00000 0.00000
77 22G+1 0.00000 0.00000 0.00000 -0.00476 0.00000
78 22G-1 0.00000 0.00000 -0.00476 0.00000 0.00000
79 22G+2 0.00000 0.00000 -0.00177 0.00000 0.00000
80 22G-2 0.00000 0.00000 0.00000 -0.00177 0.00000
81 22G+3 0.00000 0.00000 0.00000 0.00000 -0.00679
82 22G-3 -0.00498 0.01636 0.00000 0.00000 0.00000
83 22G+4 0.00000 0.00000 -0.00610 0.00000 0.00000
84 22G-4 0.00000 0.00000 0.00000 0.00610 0.00000
85 23H 0 0.00237 -0.00851 0.00000 0.00000 0.00000
86 23H+1 0.00000 0.00000 0.00000 0.03436 0.00000
87 23H-1 0.00000 0.00000 0.03436 0.00000 0.00000
88 23H+2 0.00000 0.00000 -0.00309 0.00000 0.00000
89 23H-2 0.00000 0.00000 0.00000 -0.00309 0.00000
90 23H+3 0.00000 0.00000 0.00000 0.00000 0.04795
91 23H-3 -0.02058 -0.03421 0.00000 0.00000 0.00000
92 23H+4 0.00000 0.00000 0.03336 0.00000 0.00000
93 23H-4 0.00000 0.00000 0.00000 -0.03336 0.00000
94 23H+5 0.00000 0.00000 0.00000 0.01783 0.00000
95 23H-5 0.00000 0.00000 -0.01783 0.00000 0.00000
96 2 H 1S -0.00111 -0.01459 0.00962 0.00000 0.00000
97 2S 0.08094 0.01048 -0.17001 0.00000 0.00000
98 3S -0.40813 -0.59760 1.21549 0.00000 0.00000
99 4S -5.70079 -5.16865 12.90327 0.00000 0.00000
100 5S -2.62728 0.21491 -1.48693 0.00000 0.00000
101 6PX 0.00000 0.00000 0.00000 0.00045 -0.00599
102 6PY -0.00145 0.00517 -0.00685 0.00000 0.00000
103 6PZ -0.00158 -0.00567 0.00381 0.00000 0.00000
104 7PX 0.00000 0.00000 0.00000 -0.00462 0.03474
105 7PY 0.00692 -0.04277 0.06324 0.00000 0.00000
106 7PZ 0.00985 0.03944 -0.03887 0.00000 0.00000
107 8PX 0.00000 0.00000 0.00000 -0.00548 -0.04931
108 8PY 0.07290 0.30038 -0.47284 0.00000 0.00000
109 8PZ -0.08807 -0.23888 0.26978 0.00000 0.00000
110 9PX 0.00000 0.00000 0.00000 -0.21267 1.18102
111 9PY 1.90873 1.09264 -3.09992 0.00000 0.00000
112 9PZ -1.03596 -0.77697 1.79750 0.00000 0.00000
113 10D 0 -0.00062 -0.00071 0.00061 0.00000 0.00000
114 10D+1 0.00000 0.00000 0.00000 -0.00614 0.00101
115 10D-1 0.00247 -0.00019 0.00284 0.00000 0.00000
116 10D+2 0.00109 -0.00179 0.00185 0.00000 0.00000
117 10D-2 0.00000 0.00000 0.00000 -0.00272 0.00158
118 11D 0 0.00265 0.00391 -0.00268 0.00000 0.00000
119 11D+1 0.00000 0.00000 0.00000 0.02803 -0.00870
120 11D-1 -0.01101 0.00436 -0.02108 0.00000 0.00000
121 11D+2 -0.00459 0.01160 -0.01401 0.00000 0.00000
122 11D-2 0.00000 0.00000 0.00000 0.01141 0.00038
123 12D 0 0.01840 -0.02663 -0.06313 0.00000 0.00000
124 12D+1 0.00000 0.00000 0.00000 -0.07410 0.18272
125 12D-1 0.16546 0.19742 -0.28330 0.00000 0.00000
126 12D+2 0.13255 0.10466 -0.26689 0.00000 0.00000
127 12D-2 0.00000 0.00000 0.00000 0.01155 -0.22195
128 13F 0 -0.00100 0.00073 -0.00060 0.00000 0.00000
129 13F+1 0.00000 0.00000 0.00000 -0.00188 -0.00131
130 13F-1 0.00025 -0.00039 -0.00127 0.00000 0.00000
131 13F+2 -0.00086 0.00065 -0.00277 0.00000 0.00000
132 13F-2 0.00000 0.00000 0.00000 -0.00087 0.00708
133 13F+3 0.00000 0.00000 0.00000 -0.00124 0.00710
134 13F-3 0.00110 -0.00100 0.00058 0.00000 0.00000
135 14F 0 0.01004 0.00378 -0.01632 0.00000 0.00000
136 14F+1 0.00000 0.00000 0.00000 0.01375 0.00998
137 14F-1 -0.00146 0.00986 0.00002 0.00000 0.00000
138 14F+2 0.01275 0.01223 -0.01771 0.00000 0.00000
139 14F-2 0.00000 0.00000 0.00000 0.00199 -0.05935
140 14F+3 0.00000 0.00000 0.00000 0.01021 -0.05652
141 14F-3 -0.01206 -0.00426 0.01887 0.00000 0.00000
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143 15G+1 0.00000 0.00000 0.00000 0.00012 -0.00092
144 15G-1 -0.00077 -0.00043 0.00081 0.00000 0.00000
145 15G+2 0.00006 0.00025 -0.00087 0.00000 0.00000
146 15G-2 0.00000 0.00000 0.00000 -0.00079 -0.00084
147 15G+3 0.00000 0.00000 0.00000 -0.00041 -0.00256
148 15G-3 -0.00077 -0.00084 0.00133 0.00000 0.00000
149 15G+4 -0.00073 -0.00061 0.00094 0.00000 0.00000
150 15G-4 0.00000 0.00000 0.00000 -0.00013 0.00195
151 3 H 1S -0.00111 -0.01459 -0.00481 0.00833 0.00000
152 2S 0.08094 0.01048 0.08500 -0.14723 0.00000
153 3S -0.40813 -0.59760 -0.60775 1.05265 0.00000
154 4S -5.70079 -5.16865 -6.45163 11.17456 0.00000
155 5S -2.62728 0.21491 0.74346 -1.28772 0.00000
156 6PX -0.00126 0.00448 0.00316 -0.00503 0.00300
157 6PY 0.00073 -0.00258 -0.00138 0.00316 0.00519
158 6PZ -0.00158 -0.00567 -0.00190 0.00330 0.00000
159 7PX 0.00600 -0.03704 -0.02938 0.04628 -0.01737
160 7PY -0.00346 0.02138 0.01235 -0.02938 -0.03008
161 7PZ 0.00985 0.03944 0.01943 -0.03366 0.00000
162 8PX 0.06314 0.26014 0.20237 -0.35600 0.02466
163 8PY -0.03645 -0.15019 -0.12232 0.20237 0.04271
164 8PZ -0.08807 -0.23888 -0.13489 0.23364 0.00000
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166 9PY -0.95437 -0.54632 -0.93448 1.25022 -1.02279
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170 10D-1 -0.00124 0.00010 -0.00390 -0.00389 -0.00087
171 10D+2 -0.00055 0.00090 -0.00158 -0.00198 -0.00137
172 10D-2 0.00095 -0.00155 -0.00198 0.00071 -0.00079
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175 11D-1 0.00550 -0.00218 0.01575 0.02127 0.00753
176 11D+2 0.00229 -0.00580 0.00506 0.01101 -0.00033
177 11D-2 -0.00397 0.01004 0.01101 -0.00765 -0.00019
178 12D 0 0.01840 -0.02663 0.03156 -0.05467 0.00000
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180 12D-1 -0.08273 -0.09871 -0.12640 0.09058 -0.15824
181 12D+2 -0.06627 -0.05233 -0.05806 0.12056 0.19221
182 12D-2 0.11479 0.09064 0.12056 -0.19728 0.11097
183 13F 0 -0.00100 0.00073 0.00030 -0.00052 0.00000
184 13F+1 0.00022 -0.00034 -0.00026 -0.00142 0.00066
185 13F-1 -0.00013 0.00019 -0.00173 -0.00026 0.00114
186 13F+2 0.00043 -0.00033 -0.00134 0.00082 -0.00613
187 13F-2 -0.00074 0.00057 0.00082 -0.00229 -0.00354
188 13F+3 0.00000 0.00000 0.00108 0.00062 0.00710
189 13F-3 0.00110 -0.00100 -0.00029 0.00051 0.00000
190 14F 0 0.01004 0.00378 0.00816 -0.01413 0.00000
191 14F+1 -0.00126 0.00854 0.00595 0.00345 -0.00499
192 14F-1 0.00073 -0.00493 0.01032 0.00595 -0.00864
193 14F+2 -0.00637 -0.00612 -0.00293 0.00853 0.05140
194 14F-2 0.01104 0.01059 0.00853 -0.01279 0.02968
195 14F+3 0.00000 0.00000 -0.00884 -0.00510 -0.05652
196 14F-3 -0.01206 -0.00426 -0.00943 0.01634 0.00000
197 15G 0 0.00018 0.00044 0.00042 -0.00072 0.00000
198 15G+1 -0.00066 -0.00037 -0.00030 0.00064 0.00046
199 15G-1 0.00038 0.00021 0.00029 -0.00030 0.00080
200 15G+2 -0.00003 -0.00012 -0.00081 0.00004 0.00072
201 15G-2 0.00005 0.00021 0.00004 -0.00085 0.00042
202 15G+3 0.00000 0.00000 0.00035 0.00020 -0.00256
203 15G-3 -0.00077 -0.00084 -0.00067 0.00116 0.00000
204 15G+4 0.00036 0.00030 0.00033 -0.00035 0.00169
205 15G-4 0.00063 0.00053 0.00035 -0.00073 -0.00098
206 4 H 1S -0.00111 -0.01459 -0.00481 -0.00833 0.00000
207 2S 0.08094 0.01048 0.08500 0.14723 0.00000
208 3S -0.40813 -0.59760 -0.60775 -1.05265 0.00000
209 4S -5.70079 -5.16865 -6.45163 -11.17456 0.00000
210 5S -2.62728 0.21491 0.74346 1.28772 0.00000
211 6PX 0.00126 -0.00448 -0.00316 -0.00503 0.00300
212 6PY 0.00073 -0.00258 -0.00138 -0.00316 -0.00519
213 6PZ -0.00158 -0.00567 -0.00190 -0.00330 0.00000
214 7PX -0.00600 0.03704 0.02938 0.04628 -0.01737
215 7PY -0.00346 0.02138 0.01235 0.02938 0.03008
216 7PZ 0.00985 0.03944 0.01943 0.03366 0.00000
217 8PX -0.06314 -0.26014 -0.20237 -0.35600 0.02466
218 8PY -0.03645 -0.15019 -0.12232 -0.20237 -0.04271
219 8PZ -0.08807 -0.23888 -0.13489 -0.23364 0.00000
220 9PX -1.65301 -0.94625 -1.25022 -2.37811 -0.59051
221 9PY -0.95437 -0.54632 -0.93448 -1.25022 1.02279
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225 10D-1 -0.00124 0.00010 -0.00390 0.00389 0.00087
226 10D+2 -0.00055 0.00090 -0.00158 0.00198 0.00137
227 10D-2 -0.00095 0.00155 0.00198 0.00071 -0.00079
228 11D 0 0.00265 0.00391 0.00134 0.00232 0.00000
229 11D+1 0.00953 -0.00378 -0.02127 -0.00880 0.00435
230 11D-1 0.00550 -0.00218 0.01575 -0.02127 -0.00753
231 11D+2 0.00229 -0.00580 0.00506 -0.01101 0.00033
232 11D-2 0.00397 -0.01004 -0.01101 -0.00765 -0.00019
233 12D 0 0.01840 -0.02663 0.03156 0.05467 0.00000
234 12D+1 -0.14329 -0.17097 -0.09058 -0.23100 -0.09136
235 12D-1 -0.08273 -0.09871 -0.12640 -0.09058 0.15824
236 12D+2 -0.06627 -0.05233 -0.05806 -0.12056 -0.19221
237 12D-2 -0.11479 -0.09064 -0.12056 -0.19728 0.11097
238 13F 0 -0.00100 0.00073 0.00030 0.00052 0.00000
239 13F+1 -0.00022 0.00034 0.00026 -0.00142 0.00066
240 13F-1 -0.00013 0.00019 -0.00173 0.00026 -0.00114
241 13F+2 0.00043 -0.00033 -0.00134 -0.00082 0.00613
242 13F-2 0.00074 -0.00057 -0.00082 -0.00229 -0.00354
243 13F+3 0.00000 0.00000 -0.00108 0.00062 0.00710
244 13F-3 0.00110 -0.00100 -0.00029 -0.00051 0.00000
245 14F 0 0.01004 0.00378 0.00816 0.01413 0.00000
246 14F+1 0.00126 -0.00854 -0.00595 0.00345 -0.00499
247 14F-1 0.00073 -0.00493 0.01032 -0.00595 0.00864
248 14F+2 -0.00637 -0.00612 -0.00293 -0.00853 -0.05140
249 14F-2 -0.01104 -0.01059 -0.00853 -0.01279 0.02968
250 14F+3 0.00000 0.00000 0.00884 -0.00510 -0.05652
251 14F-3 -0.01206 -0.00426 -0.00943 -0.01634 0.00000
252 15G 0 0.00018 0.00044 0.00042 0.00072 0.00000
253 15G+1 0.00066 0.00037 0.00030 0.00064 0.00046
254 15G-1 0.00038 0.00021 0.00029 0.00030 -0.00080
255 15G+2 -0.00003 -0.00012 -0.00081 -0.00004 -0.00072
256 15G-2 -0.00005 -0.00021 -0.00004 -0.00085 0.00042
257 15G+3 0.00000 0.00000 -0.00035 0.00020 -0.00256
258 15G-3 -0.00077 -0.00084 -0.00067 -0.00116 0.00000
259 15G+4 0.00036 0.00030 0.00033 0.00035 -0.00169
260 15G-4 -0.00063 -0.00053 -0.00035 -0.00073 -0.00098
26 27 28 29 30
(E)--V (E)--V (E)--V (E)--V (A1)--V
Eigenvalues -- 0.65079 0.65079 0.68848 0.68848 0.76667
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2 2S 0.00000 0.00000 0.00000 0.00000 0.00714
3 3S 0.00000 0.00000 0.00000 0.00000 0.01333
4 4S 0.00000 0.00000 0.00000 0.00000 0.06556
5 5S 0.00000 0.00000 0.00000 0.00000 -0.25045
6 6S 0.00000 0.00000 0.00000 0.00000 0.57530
7 7S 0.00000 0.00000 0.00000 0.00000 4.13251
8 8PX 0.00606 0.00000 0.04078 0.00000 0.00000
9 8PY 0.00000 0.00606 0.00000 0.04078 0.00000
10 8PZ 0.00000 0.00000 0.00000 0.00000 0.03221
11 9PX 0.00212 0.00000 -0.06093 0.00000 0.00000
12 9PY 0.00000 0.00212 0.00000 -0.06093 0.00000
13 9PZ 0.00000 0.00000 0.00000 0.00000 -0.02892
14 10PX 0.02906 0.00000 -0.05462 0.00000 0.00000
15 10PY 0.00000 0.02906 0.00000 -0.05462 0.00000
16 10PZ 0.00000 0.00000 0.00000 0.00000 0.01170
17 11PX -0.09759 0.00000 -0.08045 0.00000 0.00000
18 11PY 0.00000 -0.09759 0.00000 -0.08045 0.00000
19 11PZ 0.00000 0.00000 0.00000 0.00000 -0.12933
20 12PX 0.04038 0.00000 -4.08311 0.00000 0.00000
21 12PY 0.00000 0.04038 0.00000 -4.08311 0.00000
22 12PZ 0.00000 0.00000 0.00000 0.00000 -2.16159
23 13PX -0.00400 0.00000 -0.71135 0.00000 0.00000
24 13PY 0.00000 -0.00400 0.00000 -0.71135 0.00000
25 13PZ 0.00000 0.00000 0.00000 0.00000 -1.47801
26 14D 0 0.00000 0.00000 0.00000 0.00000 1.45245
27 14D+1 -1.28932 0.00000 2.24864 0.00000 0.00000
28 14D-1 0.00000 -1.28932 0.00000 2.24864 0.00000
29 14D+2 0.00000 1.76841 0.00000 -0.24710 0.00000
30 14D-2 1.76841 0.00000 -0.24710 0.00000 0.00000
31 15D 0 0.00000 0.00000 0.00000 0.00000 0.19430
32 15D+1 -0.19199 0.00000 0.12043 0.00000 0.00000
33 15D-1 0.00000 -0.19199 0.00000 0.12043 0.00000
34 15D+2 0.00000 0.31977 0.00000 -0.23255 0.00000
35 15D-2 0.31977 0.00000 -0.23255 0.00000 0.00000
36 16D 0 0.00000 0.00000 0.00000 0.00000 -0.02332
37 16D+1 0.02927 0.00000 0.03996 0.00000 0.00000
38 16D-1 0.00000 0.02927 0.00000 0.03996 0.00000
39 16D+2 0.00000 -0.04180 0.00000 0.07497 0.00000
40 16D-2 -0.04180 0.00000 0.07497 0.00000 0.00000
41 17D 0 0.00000 0.00000 0.00000 0.00000 0.00798
42 17D+1 -0.00926 0.00000 0.00914 0.00000 0.00000
43 17D-1 0.00000 -0.00926 0.00000 0.00914 0.00000
44 17D+2 0.00000 0.01206 0.00000 -0.00685 0.00000
45 17D-2 0.01206 0.00000 -0.00685 0.00000 0.00000
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47 18F+1 0.32876 0.00000 -0.33553 0.00000 0.00000
48 18F-1 0.00000 0.32876 0.00000 -0.33553 0.00000
49 18F+2 0.00000 -0.31836 0.00000 -0.19909 0.00000
50 18F-2 -0.31836 0.00000 -0.19909 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 -0.69818
53 19F 0 0.00000 0.00000 0.00000 0.00000 0.12151
54 19F+1 0.44567 0.00000 0.14544 0.00000 0.00000
55 19F-1 0.00000 0.44567 0.00000 0.14544 0.00000
56 19F+2 0.00000 -0.13539 0.00000 0.55621 0.00000
57 19F-2 -0.13539 0.00000 0.55621 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 0.42155
60 20F 0 0.00000 0.00000 0.00000 0.00000 -0.05233
61 20F+1 -0.08787 0.00000 -0.02981 0.00000 0.00000
62 20F-1 0.00000 -0.08787 0.00000 -0.02981 0.00000
63 20F+2 0.00000 0.02169 0.00000 -0.11544 0.00000
64 20F-2 0.02169 0.00000 -0.11544 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 -0.11438
67 21G 0 0.00000 0.00000 0.00000 0.00000 -0.05148
68 21G+1 -0.23996 0.00000 -0.00606 0.00000 0.00000
69 21G-1 0.00000 -0.23996 0.00000 -0.00606 0.00000
70 21G+2 0.00000 -0.07225 0.00000 -0.23673 0.00000
71 21G-2 -0.07225 0.00000 -0.23673 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 -0.06094
74 21G+4 0.00000 -0.03750 0.00000 -0.12275 0.00000
75 21G-4 0.03750 0.00000 0.12275 0.00000 0.00000
76 22G 0 0.00000 0.00000 0.00000 0.00000 0.00008
77 22G+1 0.00895 0.00000 -0.00501 0.00000 0.00000
78 22G-1 0.00000 0.00895 0.00000 -0.00501 0.00000
79 22G+2 0.00000 -0.01145 0.00000 0.00045 0.00000
80 22G-2 -0.01145 0.00000 0.00045 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 -0.00013
83 22G+4 0.00000 -0.00082 0.00000 0.00335 0.00000
84 22G-4 0.00082 0.00000 -0.00335 0.00000 0.00000
85 23H 0 0.00000 0.00000 0.00000 0.00000 0.02784
86 23H+1 -0.00280 0.00000 -0.01616 0.00000 0.00000
87 23H-1 0.00000 -0.00280 0.00000 -0.01616 0.00000
88 23H+2 0.00000 0.03933 0.00000 0.01615 0.00000
89 23H-2 0.03933 0.00000 0.01615 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 -0.00549
92 23H+4 0.00000 -0.00260 0.00000 0.02019 0.00000
93 23H-4 0.00260 0.00000 -0.02019 0.00000 0.00000
94 23H+5 0.02598 0.00000 -0.03041 0.00000 0.00000
95 23H-5 0.00000 -0.02598 0.00000 0.03041 0.00000
96 2 H 1S 0.00000 -0.00146 0.00000 -0.02079 0.00682
97 2S 0.00000 0.00472 0.00000 0.07068 -0.01897
98 3S 0.00000 0.12432 0.00000 -1.12848 0.36140
99 4S 0.00000 0.08994 0.00000 5.64311 -2.04836
100 5S 0.00000 -0.06731 0.00000 -1.18038 -0.38585
101 6PX -0.00009 0.00000 -0.00525 0.00000 0.00000
102 6PY 0.00000 -0.00292 0.00000 -0.00383 -0.00104
103 6PZ 0.00000 -0.00522 0.00000 -0.00260 -0.00469
104 7PX 0.00023 0.00000 0.02972 0.00000 0.00000
105 7PY 0.00000 0.01933 0.00000 0.01807 0.00604
106 7PZ 0.00000 0.02895 0.00000 0.01675 0.02603
107 8PX 0.03082 0.00000 -0.07495 0.00000 0.00000
108 8PY 0.00000 -0.07689 0.00000 0.20214 -0.07815
109 8PZ 0.00000 -0.03470 0.00000 -0.15802 -0.05715
110 9PX -1.20157 0.00000 1.91116 0.00000 0.00000
111 9PY 0.00000 1.09537 0.00000 -0.99451 0.93071
112 9PZ 0.00000 1.62420 0.00000 0.96756 0.72671
113 10D 0 0.00000 0.00409 0.00000 -0.00506 0.00102
114 10D+1 0.00085 0.00000 -0.00045 0.00000 0.00000
115 10D-1 0.00000 0.00009 0.00000 -0.00763 -0.00055
116 10D+2 0.00000 0.00034 0.00000 -0.00749 0.00343
117 10D-2 0.00810 0.00000 -0.00387 0.00000 0.00000
118 11D 0 0.00000 -0.03133 0.00000 0.02371 -0.00854
119 11D+1 0.00025 0.00000 -0.00445 0.00000 0.00000
120 11D-1 0.00000 0.00456 0.00000 0.05032 0.00417
121 11D+2 0.00000 -0.00944 0.00000 0.04523 -0.02448
122 11D-2 -0.04735 0.00000 0.03186 0.00000 0.00000
123 12D 0 0.00000 0.37214 0.00000 0.02858 0.13287
124 12D+1 -0.03694 0.00000 0.15042 0.00000 0.00000
125 12D-1 0.00000 -0.19229 0.00000 -0.12039 -0.07947
126 12D+2 0.00000 0.18914 0.00000 -0.03681 0.12887
127 12D-2 0.30810 0.00000 -0.40406 0.00000 0.00000
128 13F 0 0.00000 -0.00159 0.00000 -0.00082 -0.00031
129 13F+1 -0.00120 0.00000 0.00100 0.00000 0.00000
130 13F-1 0.00000 0.01255 0.00000 0.00386 0.00378
131 13F+2 0.00000 0.00093 0.00000 0.00397 0.00080
132 13F-2 -0.00140 0.00000 0.00779 0.00000 0.00000
133 13F+3 -0.00601 0.00000 0.00875 0.00000 0.00000
134 13F-3 0.00000 0.00385 0.00000 0.00079 0.00387
135 14F 0 0.00000 0.01412 0.00000 0.01456 0.00837
136 14F+1 0.00699 0.00000 -0.00506 0.00000 0.00000
137 14F-1 0.00000 -0.10068 0.00000 -0.02893 -0.03445
138 14F+2 0.00000 -0.01061 0.00000 -0.01412 -0.00538
139 14F-2 0.01485 0.00000 -0.06139 0.00000 0.00000
140 14F+3 0.04642 0.00000 -0.07360 0.00000 0.00000
141 14F-3 0.00000 -0.03475 0.00000 -0.01360 -0.01989
142 15G 0 0.00000 -0.00215 0.00000 -0.00010 -0.00001
143 15G+1 -0.00019 0.00000 -0.00052 0.00000 0.00000
144 15G-1 0.00000 -0.00242 0.00000 -0.00063 -0.00248
145 15G+2 0.00000 -0.00315 0.00000 -0.00134 -0.00088
146 15G-2 0.00029 0.00000 -0.00025 0.00000 0.00000
147 15G+3 0.00104 0.00000 -0.00276 0.00000 0.00000
148 15G-3 0.00000 -0.00017 0.00000 0.00111 0.00015
149 15G+4 0.00000 -0.00118 0.00000 -0.00038 0.00035
150 15G-4 -0.00212 0.00000 0.00285 0.00000 0.00000
151 3 H 1S -0.00127 0.00073 -0.01800 0.01039 0.00682
152 2S 0.00409 -0.00236 0.06121 -0.03534 -0.01897
153 3S 0.10767 -0.06216 -0.97729 0.56424 0.36140
154 4S 0.07789 -0.04497 4.88707 -2.82155 -2.04836
155 5S -0.05829 0.03365 -1.02224 0.59019 -0.38585
156 6PX -0.00221 0.00122 -0.00418 -0.00062 -0.00090
157 6PY 0.00122 -0.00080 -0.00062 -0.00490 0.00052
158 6PZ -0.00452 0.00261 -0.00226 0.00130 -0.00469
159 7PX 0.01455 -0.00827 0.02098 0.00505 0.00523
160 7PY -0.00827 0.00500 0.00505 0.02681 -0.00302
161 7PZ 0.02507 -0.01447 0.01450 -0.00837 0.02603
162 8PX -0.04996 0.04664 0.13287 -0.11998 -0.06768
163 8PY 0.04664 0.00389 -0.11998 -0.00568 0.03908
164 8PZ -0.03005 0.01735 -0.13685 0.07901 -0.05715
165 9PX 0.52113 -0.99460 -0.26809 1.25819 0.80602
166 9PY -0.99460 -0.62734 1.25819 1.18474 -0.46535
167 9PZ 1.40660 -0.81210 0.83793 -0.48378 0.72671
168 10D 0 0.00354 -0.00204 -0.00438 0.00253 0.00102
169 10D+1 0.00028 0.00033 -0.00584 0.00311 -0.00048
170 10D-1 0.00033 0.00066 0.00311 -0.00225 0.00028
171 10D+2 0.00336 0.00616 0.00157 -0.00477 -0.00172
172 10D-2 0.00228 0.00336 -0.00658 0.00157 0.00297
173 11D 0 -0.02713 0.01566 0.02053 -0.01185 -0.00854
174 11D+1 0.00348 -0.00187 0.03663 -0.02372 0.00361
175 11D-1 -0.00187 0.00133 -0.02372 0.00924 -0.00209
176 11D+2 -0.01641 -0.03787 -0.00579 0.03520 0.01224
177 11D-2 -0.01892 -0.01641 0.04188 -0.00579 -0.02120
178 12D 0 0.32228 -0.18607 0.02475 -0.01429 0.13287
179 12D+1 -0.15345 0.06727 -0.05269 0.11726 -0.06882
180 12D-1 0.06727 -0.07578 0.11726 0.08272 0.03973
181 12D+2 0.05151 0.27836 -0.15902 -0.31224 -0.06444
182 12D-2 0.21888 0.05151 -0.12862 -0.15902 0.11161
183 13F 0 -0.00138 0.00080 -0.00071 0.00041 -0.00031
184 13F+1 0.00912 -0.00596 0.00314 -0.00124 0.00328
185 13F-1 -0.00596 0.00224 -0.00124 0.00172 -0.00189
186 13F+2 -0.00101 -0.00082 0.00166 0.00684 -0.00040
187 13F-2 0.00035 -0.00101 0.00492 0.00166 0.00069
188 13F+3 0.00300 0.00520 -0.00438 -0.00758 0.00000
189 13F-3 0.00333 -0.00193 0.00069 -0.00040 0.00387
190 14F 0 0.01223 -0.00706 0.01261 -0.00728 0.00837
191 14F+1 -0.07376 0.04662 -0.02297 0.01034 -0.02983
192 14F-1 0.04662 -0.01993 0.01034 -0.01103 0.01722
193 14F+2 0.01102 0.00849 -0.02047 -0.04957 0.00269
194 14F-2 -0.00424 0.01102 -0.02594 -0.02047 -0.00466
195 14F+3 -0.02321 -0.04020 0.03680 0.06374 0.00000
196 14F-3 -0.03010 0.01738 -0.01178 0.00680 -0.01989
197 15G 0 -0.00186 0.00108 -0.00008 0.00005 -0.00001
198 15G+1 -0.00186 0.00096 -0.00061 0.00005 -0.00215
199 15G-1 0.00096 -0.00074 0.00005 -0.00055 0.00124
200 15G+2 0.00149 -0.00057 0.00047 -0.00052 0.00044
201 15G-2 -0.00229 0.00149 -0.00107 0.00047 -0.00076
202 15G+3 -0.00052 -0.00090 0.00138 0.00239 0.00000
203 15G-3 -0.00014 0.00008 0.00096 -0.00055 0.00015
204 15G+4 0.00143 0.00130 -0.00107 -0.00223 -0.00018
205 15G-4 0.00035 -0.00143 0.00100 0.00107 -0.00030
206 4 H 1S 0.00127 0.00073 0.01800 0.01039 0.00682
207 2S -0.00409 -0.00236 -0.06121 -0.03534 -0.01897
208 3S -0.10767 -0.06216 0.97729 0.56424 0.36140
209 4S -0.07789 -0.04497 -4.88707 -2.82155 -2.04836
210 5S 0.05829 0.03365 1.02224 0.59019 -0.38585
211 6PX -0.00221 -0.00122 -0.00418 0.00062 0.00090
212 6PY -0.00122 -0.00080 0.00062 -0.00490 0.00052
213 6PZ 0.00452 0.00261 0.00226 0.00130 -0.00469
214 7PX 0.01455 0.00827 0.02098 -0.00505 -0.00523
215 7PY 0.00827 0.00500 -0.00505 0.02681 -0.00302
216 7PZ -0.02507 -0.01447 -0.01450 -0.00837 0.02603
217 8PX -0.04996 -0.04664 0.13287 0.11998 0.06768
218 8PY -0.04664 0.00389 0.11998 -0.00568 0.03908
219 8PZ 0.03005 0.01735 0.13685 0.07901 -0.05715
220 9PX 0.52113 0.99460 -0.26809 -1.25819 -0.80602
221 9PY 0.99460 -0.62734 -1.25819 1.18474 -0.46535
222 9PZ -1.40660 -0.81210 -0.83793 -0.48378 0.72671
223 10D 0 -0.00354 -0.00204 0.00438 0.00253 0.00102
224 10D+1 0.00028 -0.00033 -0.00584 -0.00311 0.00048
225 10D-1 -0.00033 0.00066 -0.00311 -0.00225 0.00028
226 10D+2 -0.00336 0.00616 -0.00157 -0.00477 -0.00172
227 10D-2 0.00228 -0.00336 -0.00658 -0.00157 -0.00297
228 11D 0 0.02713 0.01566 -0.02053 -0.01185 -0.00854
229 11D+1 0.00348 0.00187 0.03663 0.02372 -0.00361
230 11D-1 0.00187 0.00133 0.02372 0.00924 -0.00209
231 11D+2 0.01641 -0.03787 0.00579 0.03520 0.01224
232 11D-2 -0.01892 0.01641 0.04188 0.00579 0.02120
233 12D 0 -0.32228 -0.18607 -0.02475 -0.01429 0.13287
234 12D+1 -0.15345 -0.06727 -0.05269 -0.11726 0.06882
235 12D-1 -0.06727 -0.07578 -0.11726 0.08272 0.03973
236 12D+2 -0.05151 0.27836 0.15902 -0.31224 -0.06444
237 12D-2 0.21888 -0.05151 -0.12862 0.15902 -0.11161
238 13F 0 0.00138 0.00080 0.00071 0.00041 -0.00031
239 13F+1 0.00912 0.00596 0.00314 0.00124 -0.00328
240 13F-1 0.00596 0.00224 0.00124 0.00172 -0.00189
241 13F+2 0.00101 -0.00082 -0.00166 0.00684 -0.00040
242 13F-2 0.00035 0.00101 0.00492 -0.00166 -0.00069
243 13F+3 0.00300 -0.00520 -0.00438 0.00758 0.00000
244 13F-3 -0.00333 -0.00193 -0.00069 -0.00040 0.00387
245 14F 0 -0.01223 -0.00706 -0.01261 -0.00728 0.00837
246 14F+1 -0.07376 -0.04662 -0.02297 -0.01034 0.02983
247 14F-1 -0.04662 -0.01993 -0.01034 -0.01103 0.01722
248 14F+2 -0.01102 0.00849 0.02047 -0.04957 0.00269
249 14F-2 -0.00424 -0.01102 -0.02594 0.02047 0.00466
250 14F+3 -0.02321 0.04020 0.03680 -0.06374 0.00000
251 14F-3 0.03010 0.01738 0.01178 0.00680 -0.01989
252 15G 0 0.00186 0.00108 0.00008 0.00005 -0.00001
253 15G+1 -0.00186 -0.00096 -0.00061 -0.00005 0.00215
254 15G-1 -0.00096 -0.00074 -0.00005 -0.00055 0.00124
255 15G+2 -0.00149 -0.00057 -0.00047 -0.00052 0.00044
256 15G-2 -0.00229 -0.00149 -0.00107 -0.00047 0.00076
257 15G+3 -0.00052 0.00090 0.00138 -0.00239 0.00000
258 15G-3 0.00014 0.00008 -0.00096 -0.00055 0.00015
259 15G+4 -0.00143 0.00130 0.00107 -0.00223 -0.00018
260 15G-4 0.00035 0.00143 0.00100 -0.00107 0.00030
31 32 33 34 35
(A1)--V (A1)--V (E)--V (E)--V (A2)--V
Eigenvalues -- 0.81042 0.83525 0.91040 0.91040 0.94239
1 1 P 1S -0.00087 0.01759 0.00000 0.00000 0.00000
2 2S 0.01385 -0.01374 0.00000 0.00000 0.00000
3 3S 0.02637 0.11975 0.00000 0.00000 0.00000
4 4S 0.13490 0.30055 0.00000 0.00000 0.00000
5 5S -0.35212 -6.22926 0.00000 0.00000 0.00000
6 6S 0.49809 23.08124 0.00000 0.00000 0.00000
7 7S 5.77876 13.01693 0.00000 0.00000 0.00000
8 8PX 0.00000 0.00000 0.00000 -0.01509 0.00000
9 8PY 0.00000 0.00000 -0.01509 0.00000 0.00000
10 8PZ 0.04216 -0.02634 0.00000 0.00000 0.00000
11 9PX 0.00000 0.00000 0.00000 -0.01175 0.00000
12 9PY 0.00000 0.00000 -0.01175 0.00000 0.00000
13 9PZ -0.04031 0.11288 0.00000 0.00000 0.00000
14 10PX 0.00000 0.00000 0.00000 -0.06421 0.00000
15 10PY 0.00000 0.00000 -0.06421 0.00000 0.00000
16 10PZ 0.00080 0.36603 0.00000 0.00000 0.00000
17 11PX 0.00000 0.00000 0.00000 -0.30432 0.00000
18 11PY 0.00000 0.00000 -0.30432 0.00000 0.00000
19 11PZ -0.16276 -0.50844 0.00000 0.00000 0.00000
20 12PX 0.00000 0.00000 0.00000 2.16304 0.00000
21 12PY 0.00000 0.00000 2.16304 0.00000 0.00000
22 12PZ -2.53359 -12.48650 0.00000 0.00000 0.00000
23 13PX 0.00000 0.00000 0.00000 0.81615 0.00000
24 13PY 0.00000 0.00000 0.81615 0.00000 0.00000
25 13PZ -2.05531 -1.96386 0.00000 0.00000 0.00000
26 14D 0 1.63261 -1.18775 0.00000 0.00000 0.00000
27 14D+1 0.00000 0.00000 0.00000 -0.90698 0.00000
28 14D-1 0.00000 0.00000 -0.90698 0.00000 0.00000
29 14D+2 0.00000 0.00000 0.21087 0.00000 0.00000
30 14D-2 0.00000 0.00000 0.00000 0.21087 0.00000
31 15D 0 0.23086 -0.51676 0.00000 0.00000 0.00000
32 15D+1 0.00000 0.00000 0.00000 -0.03645 0.00000
33 15D-1 0.00000 0.00000 -0.03645 0.00000 0.00000
34 15D+2 0.00000 0.00000 0.22127 0.00000 0.00000
35 15D-2 0.00000 0.00000 0.00000 0.22127 0.00000
36 16D 0 -0.01949 0.06786 0.00000 0.00000 0.00000
37 16D+1 0.00000 0.00000 0.00000 0.04915 0.00000
38 16D-1 0.00000 0.00000 0.04915 0.00000 0.00000
39 16D+2 0.00000 0.00000 0.03264 0.00000 0.00000
40 16D-2 0.00000 0.00000 0.00000 0.03264 0.00000
41 17D 0 0.01092 -0.02372 0.00000 0.00000 0.00000
42 17D+1 0.00000 0.00000 0.00000 -0.00481 0.00000
43 17D-1 0.00000 0.00000 -0.00481 0.00000 0.00000
44 17D+2 0.00000 0.00000 0.01692 0.00000 0.00000
45 17D-2 0.00000 0.00000 0.00000 0.01692 0.00000
46 18F 0 0.87102 1.40929 0.00000 0.00000 0.00000
47 18F+1 0.00000 0.00000 0.00000 -0.98875 0.00000
48 18F-1 0.00000 0.00000 -0.98875 0.00000 0.00000
49 18F+2 0.00000 0.00000 -1.03648 0.00000 0.00000
50 18F-2 0.00000 0.00000 0.00000 -1.03648 0.00000
51 18F+3 0.00000 0.00000 0.00000 0.00000 2.44112
52 18F-3 0.30965 -1.74746 0.00000 0.00000 0.00000
53 19F 0 -0.45462 0.61508 0.00000 0.00000 0.00000
54 19F+1 0.00000 0.00000 0.00000 0.08135 0.00000
55 19F-1 0.00000 0.00000 0.08135 0.00000 0.00000
56 19F+2 0.00000 0.00000 0.21612 0.00000 0.00000
57 19F-2 0.00000 0.00000 0.00000 0.21612 0.00000
58 19F+3 0.00000 0.00000 0.00000 0.00000 -0.06511
59 19F-3 0.12114 -0.68485 0.00000 0.00000 0.00000
60 20F 0 0.12369 -0.01030 0.00000 0.00000 0.00000
61 20F+1 0.00000 0.00000 0.00000 -0.04987 0.00000
62 20F-1 0.00000 0.00000 -0.04987 0.00000 0.00000
63 20F+2 0.00000 0.00000 -0.08943 0.00000 0.00000
64 20F-2 0.00000 0.00000 0.00000 -0.08943 0.00000
65 20F+3 0.00000 0.00000 0.00000 0.00000 0.07569
66 20F-3 -0.01002 0.00401 0.00000 0.00000 0.00000
67 21G 0 -0.10354 -0.20813 0.00000 0.00000 0.00000
68 21G+1 0.00000 0.00000 0.00000 0.26216 0.00000
69 21G-1 0.00000 0.00000 0.26216 0.00000 0.00000
70 21G+2 0.00000 0.00000 0.16678 0.00000 0.00000
71 21G-2 0.00000 0.00000 0.00000 0.16678 0.00000
72 21G+3 0.00000 0.00000 0.00000 0.00000 -0.55754
73 21G-3 -0.11578 0.54307 0.00000 0.00000 0.00000
74 21G+4 0.00000 0.00000 0.26757 0.00000 0.00000
75 21G-4 0.00000 0.00000 0.00000 -0.26757 0.00000
76 22G 0 0.01403 -0.02655 0.00000 0.00000 0.00000
77 22G+1 0.00000 0.00000 0.00000 -0.01379 0.00000
78 22G-1 0.00000 0.00000 -0.01379 0.00000 0.00000
79 22G+2 0.00000 0.00000 -0.01443 0.00000 0.00000
80 22G-2 0.00000 0.00000 0.00000 -0.01443 0.00000
81 22G+3 0.00000 0.00000 0.00000 0.00000 0.04461
82 22G-3 0.00033 0.05222 0.00000 0.00000 0.00000
83 22G+4 0.00000 0.00000 -0.00982 0.00000 0.00000
84 22G-4 0.00000 0.00000 0.00000 0.00982 0.00000
85 23H 0 0.02959 -0.01963 0.00000 0.00000 0.00000
86 23H+1 0.00000 0.00000 0.00000 -0.02655 0.00000
87 23H-1 0.00000 0.00000 -0.02655 0.00000 0.00000
88 23H+2 0.00000 0.00000 -0.03337 0.00000 0.00000
89 23H-2 0.00000 0.00000 0.00000 -0.03337 0.00000
90 23H+3 0.00000 0.00000 0.00000 0.00000 0.05680
91 23H-3 -0.00125 -0.06084 0.00000 0.00000 0.00000
92 23H+4 0.00000 0.00000 -0.06585 0.00000 0.00000
93 23H-4 0.00000 0.00000 0.00000 0.06585 0.00000
94 23H+5 0.00000 0.00000 0.00000 -0.00328 0.00000
95 23H-5 0.00000 0.00000 0.00328 0.00000 0.00000
96 2 H 1S 0.01363 0.01339 -0.03044 0.00000 0.00000
97 2S -0.03216 0.23450 0.07605 0.00000 0.00000
98 3S 0.58782 -1.02854 -1.18292 0.00000 0.00000
99 4S -2.87014 -12.01290 1.13551 0.00000 0.00000
100 5S -0.50785 -0.75553 -1.18385 0.00000 0.00000
101 6PX 0.00000 0.00000 0.00000 0.00770 0.00135
102 6PY -0.00028 0.01244 -0.00366 0.00000 0.00000
103 6PZ -0.00536 -0.00455 0.00351 0.00000 0.00000
104 7PX 0.00000 0.00000 0.00000 -0.03730 -0.01183
105 7PY 0.00350 -0.07910 0.01160 0.00000 0.00000
106 7PZ 0.02887 0.03814 -0.01296 0.00000 0.00000
107 8PX 0.00000 0.00000 0.00000 0.12877 0.09353
108 8PY -0.10528 0.60495 0.15263 0.00000 0.00000
109 8PZ -0.04026 -0.33956 -0.12632 0.00000 0.00000
110 9PX 0.00000 0.00000 0.00000 -1.79297 1.68565
111 9PY 1.07727 3.80990 -0.88431 0.00000 0.00000
112 9PZ 0.81694 -3.11911 -1.01903 0.00000 0.00000
113 10D 0 0.00176 -0.00013 -0.00568 0.00000 0.00000
114 10D+1 0.00000 0.00000 0.00000 -0.00345 0.00671
115 10D-1 0.00142 0.00057 -0.00554 0.00000 0.00000
116 10D+2 0.00285 0.00012 -0.00878 0.00000 0.00000
117 10D-2 0.00000 0.00000 0.00000 0.00384 -0.00382
118 11D 0 -0.01674 0.00663 0.03240 0.00000 0.00000
119 11D+1 0.00000 0.00000 0.00000 0.02248 -0.03903
120 11D-1 -0.00957 -0.00799 0.04212 0.00000 0.00000
121 11D+2 -0.01963 0.00106 0.05960 0.00000 0.00000
122 11D-2 0.00000 0.00000 0.00000 -0.02726 0.02349
123 12D 0 0.18262 -0.07048 -0.27387 0.00000 0.00000
124 12D+1 0.00000 0.00000 0.00000 -0.20722 0.30576
125 12D-1 -0.06655 0.57435 0.03066 0.00000 0.00000
126 12D+2 0.09539 0.34725 -0.24018 0.00000 0.00000
127 12D-2 0.00000 0.00000 0.00000 0.25623 -0.32191
128 13F 0 -0.00281 0.00037 0.00486 0.00000 0.00000
129 13F+1 0.00000 0.00000 0.00000 0.00020 -0.00290
130 13F-1 0.00468 -0.00517 -0.00295 0.00000 0.00000
131 13F+2 -0.00010 -0.00243 0.00507 0.00000 0.00000
132 13F-2 0.00000 0.00000 0.00000 -0.00634 0.00546
133 13F+3 0.00000 0.00000 0.00000 -0.00387 0.00285
134 13F-3 0.00123 -0.00001 -0.00660 0.00000 0.00000
135 14F 0 0.01396 0.01709 -0.02528 0.00000 0.00000
136 14F+1 0.00000 0.00000 0.00000 -0.00559 0.01273
137 14F-1 -0.04082 0.04750 0.03612 0.00000 0.00000
138 14F+2 -0.00395 0.05115 -0.01284 0.00000 0.00000
139 14F-2 0.00000 0.00000 0.00000 0.05021 -0.04469
140 14F+3 0.00000 0.00000 0.00000 0.03435 -0.03318
141 14F-3 -0.01071 -0.02128 0.03585 0.00000 0.00000
142 15G 0 -0.00145 0.00193 0.00014 0.00000 0.00000
143 15G+1 0.00000 0.00000 0.00000 0.00037 -0.00156
144 15G-1 -0.00067 -0.00096 0.00084 0.00000 0.00000
145 15G+2 -0.00105 0.00189 0.00143 0.00000 0.00000
146 15G-2 0.00000 0.00000 0.00000 0.00075 0.00120
147 15G+3 0.00000 0.00000 0.00000 0.00261 -0.00080
148 15G-3 -0.00057 -0.00240 -0.00013 0.00000 0.00000
149 15G+4 -0.00108 -0.00139 0.00060 0.00000 0.00000
150 15G-4 0.00000 0.00000 0.00000 -0.00143 0.00153
151 3 H 1S 0.01363 0.01339 0.01522 -0.02637 0.00000
152 2S -0.03216 0.23450 -0.03803 0.06586 0.00000
153 3S 0.58782 -1.02854 0.59146 -1.02444 0.00000
154 4S -2.87014 -12.01290 -0.56776 0.98338 0.00000
155 5S -0.50785 -0.75553 0.59193 -1.02524 0.00000
156 6PX -0.00024 0.01078 0.00492 -0.00082 -0.00067
157 6PY 0.00014 -0.00622 0.00486 0.00492 -0.00117
158 6PZ -0.00536 -0.00455 -0.00175 0.00304 0.00000
159 7PX 0.00303 -0.06851 -0.02118 -0.00062 0.00592
160 7PY -0.00175 0.03955 -0.02508 -0.02118 0.01025
161 7PZ 0.02887 0.03814 0.00648 -0.01122 0.00000
162 8PX -0.09118 0.52390 -0.01034 0.14667 -0.04676
163 8PY 0.05264 -0.30248 0.13473 -0.01034 -0.08100
164 8PZ -0.04026 -0.33956 0.06316 -0.10940 0.00000
165 9PX 0.93295 3.29947 -0.39346 -1.11147 -0.84282
166 9PY -0.53864 -1.90495 -1.56580 -0.39346 -1.45982
167 9PZ 0.81694 -3.11911 0.50952 -0.88251 0.00000
168 10D 0 0.00176 -0.00013 0.00284 -0.00492 0.00000
169 10D+1 0.00123 0.00049 0.00091 -0.00502 -0.00335
170 10D-1 -0.00071 -0.00028 -0.00397 0.00091 -0.00581
171 10D+2 -0.00143 -0.00006 0.00069 0.00547 0.00331
172 10D-2 0.00247 0.00011 0.00547 -0.00562 0.00191
173 11D 0 -0.01674 0.00663 -0.01620 0.02806 0.00000
174 11D+1 -0.00829 -0.00692 -0.00850 0.03721 0.01952
175 11D-1 0.00479 0.00400 0.02739 -0.00850 0.03381
176 11D+2 0.00982 -0.00053 -0.00554 -0.03761 -0.02034
177 11D-2 -0.01700 0.00092 -0.03761 0.03788 -0.01174
178 12D 0 0.18262 -0.07048 0.13693 -0.23718 0.00000
179 12D+1 -0.05764 0.49741 -0.10300 -0.02881 -0.15288
180 12D-1 0.03328 -0.28718 -0.14775 -0.10300 -0.26479
181 12D+2 -0.04769 -0.17363 0.13213 0.21495 0.27879
182 12D-2 0.08261 0.30073 0.21495 -0.11608 0.16096
183 13F 0 -0.00281 0.00037 -0.00243 0.00421 0.00000
184 13F+1 0.00405 -0.00448 0.00136 -0.00216 0.00145
185 13F-1 -0.00234 0.00258 -0.00059 0.00136 0.00251
186 13F+2 0.00005 0.00121 -0.00349 -0.00494 -0.00473
187 13F-2 -0.00009 -0.00210 -0.00494 0.00222 -0.00273
188 13F+3 0.00000 0.00000 0.00335 0.00194 0.00285
189 13F-3 0.00123 -0.00001 0.00330 -0.00572 0.00000
190 14F 0 0.01396 0.01709 0.01264 -0.02189 0.00000
191 14F+1 -0.03535 0.04114 -0.01806 0.02569 -0.00636
192 14F-1 0.02041 -0.02375 0.00484 -0.01806 -0.01102
193 14F+2 0.00197 -0.02557 0.03445 0.02730 0.03870
194 14F-2 -0.00342 0.04430 0.02730 0.00293 0.02234
195 14F+3 0.00000 0.00000 -0.02975 -0.01717 -0.03318
196 14F-3 -0.01071 -0.02128 -0.01792 0.03104 0.00000
197 15G 0 -0.00145 0.00193 -0.00007 0.00012 0.00000
198 15G+1 -0.00058 -0.00083 -0.00020 0.00072 0.00078
199 15G-1 0.00034 0.00048 0.00049 -0.00020 0.00135
200 15G+2 0.00052 -0.00095 0.00092 -0.00029 -0.00104
201 15G-2 -0.00091 0.00164 -0.00029 0.00126 -0.00060
202 15G+3 0.00000 0.00000 -0.00226 -0.00131 -0.00080
203 15G-3 -0.00057 -0.00240 0.00006 -0.00011 0.00000
204 15G+4 0.00054 0.00070 0.00122 0.00036 0.00132
205 15G-4 0.00094 0.00120 -0.00036 -0.00081 -0.00076
206 4 H 1S 0.01363 0.01339 0.01522 0.02637 0.00000
207 2S -0.03216 0.23450 -0.03803 -0.06586 0.00000
208 3S 0.58782 -1.02854 0.59146 1.02444 0.00000
209 4S -2.87014 -12.01290 -0.56776 -0.98338 0.00000
210 5S -0.50785 -0.75553 0.59193 1.02524 0.00000
211 6PX 0.00024 -0.01078 -0.00492 -0.00082 -0.00067
212 6PY 0.00014 -0.00622 0.00486 -0.00492 0.00117
213 6PZ -0.00536 -0.00455 -0.00175 -0.00304 0.00000
214 7PX -0.00303 0.06851 0.02118 -0.00062 0.00592
215 7PY -0.00175 0.03955 -0.02508 0.02118 -0.01025
216 7PZ 0.02887 0.03814 0.00648 0.01122 0.00000
217 8PX 0.09118 -0.52390 0.01034 0.14667 -0.04676
218 8PY 0.05264 -0.30248 0.13473 0.01034 0.08100
219 8PZ -0.04026 -0.33956 0.06316 0.10940 0.00000
220 9PX -0.93295 -3.29947 0.39346 -1.11147 -0.84282
221 9PY -0.53864 -1.90495 -1.56580 0.39346 1.45982
222 9PZ 0.81694 -3.11911 0.50952 0.88251 0.00000
223 10D 0 0.00176 -0.00013 0.00284 0.00492 0.00000
224 10D+1 -0.00123 -0.00049 -0.00091 -0.00502 -0.00335
225 10D-1 -0.00071 -0.00028 -0.00397 -0.00091 0.00581
226 10D+2 -0.00143 -0.00006 0.00069 -0.00547 -0.00331
227 10D-2 -0.00247 -0.00011 -0.00547 -0.00562 0.00191
228 11D 0 -0.01674 0.00663 -0.01620 -0.02806 0.00000
229 11D+1 0.00829 0.00692 0.00850 0.03721 0.01952
230 11D-1 0.00479 0.00400 0.02739 0.00850 -0.03381
231 11D+2 0.00982 -0.00053 -0.00554 0.03761 0.02034
232 11D-2 0.01700 -0.00092 0.03761 0.03788 -0.01174
233 12D 0 0.18262 -0.07048 0.13693 0.23718 0.00000
234 12D+1 0.05764 -0.49741 0.10300 -0.02881 -0.15288
235 12D-1 0.03328 -0.28718 -0.14775 0.10300 0.26479
236 12D+2 -0.04769 -0.17363 0.13213 -0.21495 -0.27879
237 12D-2 -0.08261 -0.30073 -0.21495 -0.11608 0.16096
238 13F 0 -0.00281 0.00037 -0.00243 -0.00421 0.00000
239 13F+1 -0.00405 0.00448 -0.00136 -0.00216 0.00145
240 13F-1 -0.00234 0.00258 -0.00059 -0.00136 -0.00251
241 13F+2 0.00005 0.00121 -0.00349 0.00494 0.00473
242 13F-2 0.00009 0.00210 0.00494 0.00222 -0.00273
243 13F+3 0.00000 0.00000 -0.00335 0.00194 0.00285
244 13F-3 0.00123 -0.00001 0.00330 0.00572 0.00000
245 14F 0 0.01396 0.01709 0.01264 0.02189 0.00000
246 14F+1 0.03535 -0.04114 0.01806 0.02569 -0.00636
247 14F-1 0.02041 -0.02375 0.00484 0.01806 0.01102
248 14F+2 0.00197 -0.02557 0.03445 -0.02730 -0.03870
249 14F-2 0.00342 -0.04430 -0.02730 0.00293 0.02234
250 14F+3 0.00000 0.00000 0.02975 -0.01717 -0.03318
251 14F-3 -0.01071 -0.02128 -0.01792 -0.03104 0.00000
252 15G 0 -0.00145 0.00193 -0.00007 -0.00012 0.00000
253 15G+1 0.00058 0.00083 0.00020 0.00072 0.00078
254 15G-1 0.00034 0.00048 0.00049 0.00020 -0.00135
255 15G+2 0.00052 -0.00095 0.00092 0.00029 0.00104
256 15G-2 0.00091 -0.00164 0.00029 0.00126 -0.00060
257 15G+3 0.00000 0.00000 0.00226 -0.00131 -0.00080
258 15G-3 -0.00057 -0.00240 0.00006 0.00011 0.00000
259 15G+4 0.00054 0.00070 0.00122 -0.00036 -0.00132
260 15G-4 -0.00094 -0.00120 0.00036 -0.00081 -0.00076
36 37 38 39 40
(E)--V (E)--V (A1)--V (E)--V (E)--V
Eigenvalues -- 0.94268 0.94268 0.97067 0.98763 0.98763
1 1 P 1S 0.00000 0.00000 0.01486 0.00000 0.00000
2 2S 0.00000 0.00000 -0.03468 0.00000 0.00000
3 3S 0.00000 0.00000 0.01970 0.00000 0.00000
4 4S 0.00000 0.00000 -0.38108 0.00000 0.00000
5 5S 0.00000 0.00000 -0.97246 0.00000 0.00000
6 6S 0.00000 0.00000 10.65757 0.00000 0.00000
7 7S 0.00000 0.00000 7.18942 0.00000 0.00000
8 8PX 0.00000 0.05235 0.00000 0.00000 -0.00305
9 8PY 0.05235 0.00000 0.00000 -0.00305 0.00000
10 8PZ 0.00000 0.00000 0.05207 0.00000 0.00000
11 9PX 0.00000 -0.02810 0.00000 0.00000 0.02131
12 9PY -0.02810 0.00000 0.00000 0.02131 0.00000
13 9PZ 0.00000 0.00000 -0.02052 0.00000 0.00000
14 10PX 0.00000 0.14952 0.00000 0.00000 0.10560
15 10PY 0.14952 0.00000 0.00000 0.10560 0.00000
16 10PZ 0.00000 0.00000 0.18899 0.00000 0.00000
17 11PX 0.00000 -0.61388 0.00000 0.00000 -0.37227
18 11PY -0.61388 0.00000 0.00000 -0.37227 0.00000
19 11PZ 0.00000 0.00000 -1.24288 0.00000 0.00000
20 12PX 0.00000 -13.98153 0.00000 0.00000 -3.61751
21 12PY -13.98153 0.00000 0.00000 -3.61751 0.00000
22 12PZ 0.00000 0.00000 -6.30214 0.00000 0.00000
23 13PX 0.00000 -2.03781 0.00000 0.00000 0.01697
24 13PY -2.03781 0.00000 0.00000 0.01697 0.00000
25 13PZ 0.00000 0.00000 -1.66024 0.00000 0.00000
26 14D 0 0.00000 0.00000 0.95793 0.00000 0.00000
27 14D+1 0.00000 6.75575 0.00000 0.00000 0.70561
28 14D-1 6.75575 0.00000 0.00000 0.70561 0.00000
29 14D+2 4.91664 0.00000 0.00000 1.25894 0.00000
30 14D-2 0.00000 4.91664 0.00000 0.00000 1.25894
31 15D 0 0.00000 0.00000 0.36321 0.00000 0.00000
32 15D+1 0.00000 0.86259 0.00000 0.00000 -0.04171
33 15D-1 0.86259 0.00000 0.00000 -0.04171 0.00000
34 15D+2 0.54908 0.00000 0.00000 1.01267 0.00000
35 15D-2 0.00000 0.54908 0.00000 0.00000 1.01267
36 16D 0 0.00000 0.00000 0.01235 0.00000 0.00000
37 16D+1 0.00000 -0.15247 0.00000 0.00000 -0.03067
38 16D-1 -0.15247 0.00000 0.00000 -0.03067 0.00000
39 16D+2 -0.12004 0.00000 0.00000 -0.01562 0.00000
40 16D-2 0.00000 -0.12004 0.00000 0.00000 -0.01562
41 17D 0 0.00000 0.00000 0.05029 0.00000 0.00000
42 17D+1 0.00000 -0.02479 0.00000 0.00000 -0.05417
43 17D-1 -0.02479 0.00000 0.00000 -0.05417 0.00000
44 17D+2 -0.03231 0.00000 0.00000 0.06800 0.00000
45 17D-2 0.00000 -0.03231 0.00000 0.00000 0.06800
46 18F 0 0.00000 0.00000 -0.48631 0.00000 0.00000
47 18F+1 0.00000 -0.95438 0.00000 0.00000 1.29881
48 18F-1 -0.95438 0.00000 0.00000 1.29881 0.00000
49 18F+2 -1.65200 0.00000 0.00000 -0.43894 0.00000
50 18F-2 0.00000 -1.65200 0.00000 0.00000 -0.43894
51 18F+3 0.00000 0.00000 0.00000 0.00000 0.00000
52 18F-3 0.00000 0.00000 0.83503 0.00000 0.00000
53 19F 0 0.00000 0.00000 0.25538 0.00000 0.00000
54 19F+1 0.00000 -0.08223 0.00000 0.00000 -0.25550
55 19F-1 -0.08223 0.00000 0.00000 -0.25550 0.00000
56 19F+2 -0.29306 0.00000 0.00000 0.02220 0.00000
57 19F-2 0.00000 -0.29306 0.00000 0.00000 0.02220
58 19F+3 0.00000 0.00000 0.00000 0.00000 0.00000
59 19F-3 0.00000 0.00000 -0.34286 0.00000 0.00000
60 20F 0 0.00000 0.00000 -0.00408 0.00000 0.00000
61 20F+1 0.00000 -0.01901 0.00000 0.00000 0.07547
62 20F-1 -0.01901 0.00000 0.00000 0.07547 0.00000
63 20F+2 -0.02665 0.00000 0.00000 -0.06211 0.00000
64 20F-2 0.00000 -0.02665 0.00000 0.00000 -0.06211
65 20F+3 0.00000 0.00000 0.00000 0.00000 0.00000
66 20F-3 0.00000 0.00000 0.01866 0.00000 0.00000
67 21G 0 0.00000 0.00000 0.02673 0.00000 0.00000
68 21G+1 0.00000 -0.00561 0.00000 0.00000 -0.12149
69 21G-1 -0.00561 0.00000 0.00000 -0.12149 0.00000
70 21G+2 0.17111 0.00000 0.00000 -0.10908 0.00000
71 21G-2 0.00000 0.17111 0.00000 0.00000 -0.10908
72 21G+3 0.00000 0.00000 0.00000 0.00000 0.00000
73 21G-3 0.00000 0.00000 -0.16775 0.00000 0.00000
74 21G+4 -0.03708 0.00000 0.00000 -0.08062 0.00000
75 21G-4 0.00000 0.03708 0.00000 0.00000 0.08062
76 22G 0 0.00000 0.00000 -0.02661 0.00000 0.00000
77 22G+1 0.00000 -0.01042 0.00000 0.00000 0.00533
78 22G-1 -0.01042 0.00000 0.00000 0.00533 0.00000
79 22G+2 0.00863 0.00000 0.00000 0.02160 0.00000
80 22G-2 0.00000 0.00863 0.00000 0.00000 0.02160
81 22G+3 0.00000 0.00000 0.00000 0.00000 0.00000
82 22G-3 0.00000 0.00000 0.07122 0.00000 0.00000
83 22G+4 -0.00838 0.00000 0.00000 -0.00116 0.00000
84 22G-4 0.00000 0.00838 0.00000 0.00000 0.00116
85 23H 0 0.00000 0.00000 0.00150 0.00000 0.00000
86 23H+1 0.00000 0.01331 0.00000 0.00000 0.00290
87 23H-1 0.01331 0.00000 0.00000 0.00290 0.00000
88 23H+2 -0.00787 0.00000 0.00000 0.01333 0.00000
89 23H-2 0.00000 -0.00787 0.00000 0.00000 0.01333
90 23H+3 0.00000 0.00000 0.00000 0.00000 0.00000
91 23H-3 0.00000 0.00000 0.02013 0.00000 0.00000
92 23H+4 0.00393 0.00000 0.00000 0.01640 0.00000
93 23H-4 0.00000 -0.00393 0.00000 0.00000 -0.01640
94 23H+5 0.00000 0.01055 0.00000 0.00000 -0.00829
95 23H-5 -0.01055 0.00000 0.00000 0.00829 0.00000
96 2 H 1S 0.02111 0.00000 -0.01865 -0.00496 0.00000
97 2S -0.26592 0.00000 0.08604 -0.03989 0.00000
98 3S 1.06986 0.00000 0.19788 -0.30493 0.00000
99 4S 17.43020 0.00000 -5.78228 4.66277 0.00000
100 5S 0.48345 0.00000 -0.95344 -0.40759 0.00000
101 6PX 0.00000 -0.00296 0.00000 0.00000 0.01531
102 6PY 0.00003 0.00000 -0.00570 -0.00716 0.00000
103 6PZ -0.00167 0.00000 -0.00622 -0.00490 0.00000
104 7PX 0.00000 0.01475 0.00000 0.00000 -0.06983
105 7PY 0.00194 0.00000 0.02117 0.03432 0.00000
106 7PZ 0.01016 0.00000 0.03129 0.01616 0.00000
107 8PX 0.00000 -0.06502 0.00000 0.00000 0.29782
108 8PY -0.11555 0.00000 -0.16036 -0.11842 0.00000
109 8PZ 0.02532 0.00000 -0.08173 -0.06286 0.00000
110 9PX 0.00000 0.11719 0.00000 0.00000 -0.68756
111 9PY -6.51692 0.00000 3.46082 -1.04344 0.00000
112 9PZ 3.77795 0.00000 -0.90341 2.27306 0.00000
113 10D 0 -0.00223 0.00000 0.00144 -0.00164 0.00000
114 10D+1 0.00000 -0.00709 0.00000 0.00000 0.00229
115 10D-1 -0.00200 0.00000 0.00428 -0.00413 0.00000
116 10D+2 -0.00421 0.00000 0.00131 -0.00023 0.00000
117 10D-2 0.00000 -0.00141 0.00000 0.00000 -0.00531
118 11D 0 0.01383 0.00000 -0.01368 -0.00071 0.00000
119 11D+1 0.00000 0.03157 0.00000 0.00000 -0.00912
120 11D-1 0.02214 0.00000 -0.03537 0.03109 0.00000
121 11D+2 0.03161 0.00000 -0.02487 0.00372 0.00000
122 11D-2 0.00000 0.00669 0.00000 0.00000 0.01369
123 12D 0 -0.14774 0.00000 0.09029 0.08248 0.00000
124 12D+1 0.00000 -0.12953 0.00000 0.00000 0.05988
125 12D-1 -0.50545 0.00000 0.36878 -0.35340 0.00000
126 12D+2 -0.50827 0.00000 0.29403 -0.10950 0.00000
127 12D-2 0.00000 0.00635 0.00000 0.00000 -0.07328
128 13F 0 0.00351 0.00000 -0.00580 0.00120 0.00000
129 13F+1 0.00000 -0.00081 0.00000 0.00000 0.00029
130 13F-1 0.00009 0.00000 -0.00149 0.00451 0.00000
131 13F+2 0.00585 0.00000 -0.00554 0.00440 0.00000
132 13F-2 0.00000 -0.00045 0.00000 0.00000 -0.00049
133 13F+3 0.00000 -0.00115 0.00000 0.00000 -0.00455
134 13F-3 -0.00436 0.00000 0.00567 0.00021 0.00000
135 14F 0 -0.04068 0.00000 0.04066 -0.01471 0.00000
136 14F+1 0.00000 0.00444 0.00000 0.00000 -0.00316
137 14F-1 -0.00593 0.00000 0.01605 -0.03456 0.00000
138 14F+2 -0.06595 0.00000 0.05153 -0.04103 0.00000
139 14F-2 0.00000 0.00584 0.00000 0.00000 -0.00065
140 14F+3 0.00000 0.00906 0.00000 0.00000 0.01641
141 14F-3 0.04900 0.00000 -0.04055 0.00781 0.00000
142 15G 0 -0.00147 0.00000 0.00082 -0.00082 0.00000
143 15G+1 0.00000 0.00004 0.00000 0.00000 -0.00043
144 15G-1 0.00169 0.00000 -0.00153 0.00014 0.00000
145 15G+2 -0.00145 0.00000 0.00150 -0.00155 0.00000
146 15G-2 0.00000 -0.00037 0.00000 0.00000 0.00133
147 15G+3 0.00000 0.00007 0.00000 0.00000 0.00030
148 15G-3 0.00303 0.00000 -0.00217 0.00194 0.00000
149 15G+4 0.00170 0.00000 -0.00173 0.00055 0.00000
150 15G-4 0.00000 -0.00018 0.00000 0.00000 0.00018
151 3 H 1S -0.01055 0.01828 -0.01865 0.00248 -0.00430
152 2S 0.13296 -0.23030 0.08604 0.01994 -0.03454
153 3S -0.53493 0.92652 0.19788 0.15247 -0.26408
154 4S -8.71510 15.09499 -5.78228 -2.33138 4.03808
155 5S -0.24172 0.41868 -0.95344 0.20379 -0.35298
156 6PX -0.00129 -0.00072 -0.00494 0.00973 -0.00154
157 6PY -0.00221 -0.00129 0.00285 0.00969 0.00973
158 6PZ 0.00084 -0.00145 -0.00622 0.00245 -0.00424
159 7PX 0.00554 0.00514 0.01833 -0.04510 0.00828
160 7PY 0.01155 0.00554 -0.01059 -0.04379 -0.04510
161 7PZ -0.00508 0.00880 0.03129 -0.00808 0.01399
162 8PX 0.02188 -0.10292 -0.13888 0.18024 -0.01436
163 8PY -0.07765 0.02188 0.08018 0.19376 0.18024
164 8PZ -0.01266 0.02193 -0.08173 0.03143 -0.05444
165 9PX 2.87266 -4.85839 2.99715 0.15410 -0.95447
166 9PY -1.54134 2.87266 -1.73041 -0.77653 0.15410
167 9PZ -1.88897 3.27180 -0.90341 -1.13653 1.96853
168 10D 0 0.00112 -0.00193 0.00144 0.00082 -0.00142
169 10D+1 -0.00220 -0.00327 0.00371 0.00278 -0.00253
170 10D-1 -0.00581 -0.00220 -0.00214 0.00068 0.00278
171 10D+2 -0.00211 0.00121 -0.00065 -0.00404 -0.00220
172 10D-2 0.00121 -0.00351 0.00113 -0.00220 -0.00150
173 11D 0 -0.00692 0.01198 -0.01368 0.00036 -0.00062
174 11D+1 0.00408 0.02450 -0.03063 -0.01741 0.02104
175 11D-1 0.02921 0.00408 0.01769 0.00093 -0.01741
176 11D+2 0.01292 -0.01079 0.01243 0.01119 0.00431
177 11D-2 -0.01079 0.02538 -0.02154 0.00431 0.00621
178 12D 0 0.07387 -0.12794 0.09029 -0.04124 0.07143
179 12D+1 0.16278 -0.41147 0.31937 0.17895 -0.25008
180 12D-1 -0.22351 0.16278 -0.18439 -0.04344 0.17895
181 12D+2 -0.12231 0.22284 -0.14701 -0.08233 0.01568
182 12D-2 0.22284 -0.37962 0.25464 0.01568 -0.10044
183 13F 0 -0.00175 0.00304 -0.00580 -0.00060 0.00104
184 13F+1 -0.00039 -0.00013 -0.00129 -0.00183 0.00346
185 13F-1 -0.00058 -0.00039 0.00074 0.00135 -0.00183
186 13F+2 0.00113 -0.00273 0.00277 0.00073 -0.00212
187 13F-2 -0.00273 0.00428 -0.00480 -0.00212 0.00318
188 13F+3 0.00100 0.00057 0.00000 0.00394 0.00228
189 13F-3 0.00218 -0.00378 0.00567 -0.00011 0.00019
190 14F 0 0.02034 -0.03523 0.04066 0.00736 -0.01274
191 14F+1 0.00449 -0.00334 0.01390 0.01360 -0.02671
192 14F-1 0.00184 0.00449 -0.00802 -0.01101 0.01360
193 14F+2 -0.01211 0.03109 -0.02577 -0.01075 0.01748
194 14F-2 0.03109 -0.04800 0.04463 0.01748 -0.03094
195 14F+3 -0.00784 -0.00453 0.00000 -0.01421 -0.00821
196 14F-3 -0.02450 0.04244 -0.04055 -0.00391 0.00676
197 15G 0 0.00073 -0.00127 0.00082 0.00041 -0.00071
198 15G+1 -0.00072 0.00128 -0.00132 -0.00025 0.00000
199 15G-1 0.00045 -0.00072 0.00076 -0.00029 -0.00025
200 15G+2 -0.00064 0.00046 -0.00075 0.00061 0.00125
201 15G-2 0.00046 -0.00118 0.00130 0.00125 -0.00083
202 15G+3 -0.00006 -0.00004 0.00000 -0.00026 -0.00015
203 15G-3 -0.00152 0.00262 -0.00217 -0.00097 0.00168
204 15G+4 0.00056 -0.00066 0.00086 0.00000 -0.00031
205 15G-4 0.00066 -0.00132 0.00150 0.00031 -0.00037
206 4 H 1S -0.01055 -0.01828 -0.01865 0.00248 0.00430
207 2S 0.13296 0.23030 0.08604 0.01994 0.03454
208 3S -0.53493 -0.92652 0.19788 0.15247 0.26408
209 4S -8.71510 -15.09499 -5.78228 -2.33138 -4.03808
210 5S -0.24172 -0.41868 -0.95344 0.20379 0.35298
211 6PX 0.00129 -0.00072 0.00494 -0.00973 -0.00154
212 6PY -0.00221 0.00129 0.00285 0.00969 -0.00973
213 6PZ 0.00084 0.00145 -0.00622 0.00245 0.00424
214 7PX -0.00554 0.00514 -0.01833 0.04510 0.00828
215 7PY 0.01155 -0.00554 -0.01059 -0.04379 0.04510
216 7PZ -0.00508 -0.00880 0.03129 -0.00808 -0.01399
217 8PX -0.02188 -0.10292 0.13888 -0.18024 -0.01436
218 8PY -0.07765 -0.02188 0.08018 0.19376 -0.18024
219 8PZ -0.01266 -0.02193 -0.08173 0.03143 0.05444
220 9PX -2.87266 -4.85839 -2.99715 -0.15410 -0.95447
221 9PY -1.54134 -2.87266 -1.73041 -0.77653 -0.15410
222 9PZ -1.88897 -3.27180 -0.90341 -1.13653 -1.96853
223 10D 0 0.00112 0.00193 0.00144 0.00082 0.00142
224 10D+1 0.00220 -0.00327 -0.00371 -0.00278 -0.00253
225 10D-1 -0.00581 0.00220 -0.00214 0.00068 -0.00278
226 10D+2 -0.00211 -0.00121 -0.00065 -0.00404 0.00220
227 10D-2 -0.00121 -0.00351 -0.00113 0.00220 -0.00150
228 11D 0 -0.00692 -0.01198 -0.01368 0.00036 0.00062
229 11D+1 -0.00408 0.02450 0.03063 0.01741 0.02104
230 11D-1 0.02921 -0.00408 0.01769 0.00093 0.01741
231 11D+2 0.01292 0.01079 0.01243 0.01119 -0.00431
232 11D-2 0.01079 0.02538 0.02154 -0.00431 0.00621
233 12D 0 0.07387 0.12794 0.09029 -0.04124 -0.07143
234 12D+1 -0.16278 -0.41147 -0.31937 -0.17895 -0.25008
235 12D-1 -0.22351 -0.16278 -0.18439 -0.04344 -0.17895
236 12D+2 -0.12231 -0.22284 -0.14701 -0.08233 -0.01568
237 12D-2 -0.22284 -0.37962 -0.25464 -0.01568 -0.10044
238 13F 0 -0.00175 -0.00304 -0.00580 -0.00060 -0.00104
239 13F+1 0.00039 -0.00013 0.00129 0.00183 0.00346
240 13F-1 -0.00058 0.00039 0.00074 0.00135 0.00183
241 13F+2 0.00113 0.00273 0.00277 0.00073 0.00212
242 13F-2 0.00273 0.00428 0.00480 0.00212 0.00318
243 13F+3 -0.00100 0.00057 0.00000 -0.00394 0.00228
244 13F-3 0.00218 0.00378 0.00567 -0.00011 -0.00019
245 14F 0 0.02034 0.03523 0.04066 0.00736 0.01274
246 14F+1 -0.00449 -0.00334 -0.01390 -0.01360 -0.02671
247 14F-1 0.00184 -0.00449 -0.00802 -0.01101 -0.01360
248 14F+2 -0.01211 -0.03109 -0.02577 -0.01075 -0.01748
249 14F-2 -0.03109 -0.04800 -0.04463 -0.01748 -0.03094
250 14F+3 0.00784 -0.00453 0.00000 0.01421 -0.00821
251 14F-3 -0.02450 -0.04244 -0.04055 -0.00391 -0.00676
252 15G 0 0.00073 0.00127 0.00082 0.00041 0.00071
253 15G+1 0.00072 0.00128 0.00132 0.00025 0.00000
254 15G-1 0.00045 0.00072 0.00076 -0.00029 0.00025
255 15G+2 -0.00064 -0.00046 -0.00075 0.00061 -0.00125
256 15G-2 -0.00046 -0.00118 -0.00130 -0.00125 -0.00083
257 15G+3 0.00006 -0.00004 0.00000 0.00026 -0.00015
258 15G-3 -0.00152 -0.00262 -0.00217 -0.00097 -0.00168
259 15G+4 0.00056 0.00066 0.00086 0.00000 0.00031
260 15G-4 -0.00066 -0.00132 -0.00150 -0.00031 -0.00037
41 42 43 44 45
(A1)--V (E)--V (E)--V (A1)--V (E)--V
Eigenvalues -- 1.01055 1.04706 1.04706 1.05959 1.08167
1 1 P 1S 0.02196 0.00000 0.00000 0.03793 0.00000
2 2S -0.02217 0.00000 0.00000 -0.05676 0.00000
3 3S 0.17856 0.00000 0.00000 0.20613 0.00000
4 4S 0.60078 0.00000 0.00000 0.02011 0.00000
5 5S -4.50753 0.00000 0.00000 -0.74445 0.00000
6 6S 8.99782 0.00000 0.00000 3.96309 0.00000
7 7S 5.59880 0.00000 0.00000 7.46632 0.00000
8 8PX 0.00000 0.00000 -0.01914 0.00000 0.00000
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10 8PZ -0.07436 0.00000 0.00000 -0.00900 0.00000
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154 4S -3.29332 -3.08767 5.34799 -2.97700 0.01151
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185 13F-1 -0.00372 0.00110 -0.00264 -0.00239 -0.00451
186 13F+2 -0.00417 0.00598 -0.00451 -0.00112 -0.00206
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196 14F-3 0.01888 -0.02846 0.04930 -0.00383 0.01787
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202 15G+3 0.00000 -0.00034 -0.00020 0.00000 0.00018
203 15G-3 0.00026 -0.00219 0.00379 0.00001 0.00113
204 15G+4 0.00014 0.00053 -0.00050 -0.00003 0.00141
205 15G-4 0.00025 0.00050 -0.00111 -0.00005 -0.00108
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207 2S 0.15620 0.02493 0.04318 0.05468 0.05405
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209 4S -3.29332 -3.08767 -5.34799 -2.97700 0.01151
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235 12D-1 0.01702 -0.30641 -0.35495 0.09272 -0.00723
236 12D+2 0.02845 0.08563 -0.26641 -0.08442 0.56869
237 12D-2 0.04927 -0.26641 -0.22200 -0.14623 -0.05330
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240 13F-1 -0.00372 0.00110 0.00264 -0.00239 -0.00451
241 13F+2 -0.00417 0.00598 0.00451 -0.00112 -0.00206
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243 13F+3 0.00000 -0.00676 0.00390 0.00000 -0.00673
244 13F-3 -0.00618 0.00322 0.00558 -0.00040 -0.00249
245 14F 0 -0.01929 0.02798 0.04846 0.00049 -0.01088
246 14F+1 0.03761 -0.02704 -0.05144 0.04288 -0.02803
247 14F-1 0.02171 -0.02022 -0.02704 0.02476 0.02910
248 14F+2 0.01683 -0.03487 -0.05168 0.00775 0.01015
249 14F-2 0.02916 -0.05168 -0.09455 0.01342 0.03645
250 14F+3 0.00000 0.03733 -0.02155 0.00000 0.05186
251 14F-3 0.01888 -0.02846 -0.04930 -0.00383 0.01787
252 15G 0 -0.00105 0.00142 0.00246 -0.00122 0.00033
253 15G+1 0.00059 0.00116 0.00086 0.00135 -0.00026
254 15G-1 0.00034 -0.00048 0.00116 0.00078 -0.00020
255 15G+2 0.00129 0.00065 -0.00230 0.00083 -0.00103
256 15G-2 0.00224 -0.00230 -0.00200 0.00144 0.00058
257 15G+3 0.00000 0.00034 -0.00020 0.00000 -0.00018
258 15G-3 0.00026 -0.00219 -0.00379 0.00001 0.00113
259 15G+4 0.00014 0.00053 0.00050 -0.00003 0.00141
260 15G-4 -0.00025 -0.00050 -0.00111 0.00005 0.00108
46 47 48 49 50
(E)--V (A1)--V (E)--V (E)--V (E)--V
Eigenvalues -- 1.08167 1.11302 1.15051 1.15051 1.53503
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28 14D-1 0.00000 0.00000 -4.90528 0.00000 5.15833
29 14D+2 0.00000 0.00000 -1.05502 0.00000 4.46358
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33 15D-1 0.00000 0.00000 -1.43101 0.00000 1.78142
34 15D+2 0.00000 0.00000 -0.98908 0.00000 1.55236
35 15D-2 -0.34744 0.00000 0.00000 -0.98908 0.00000
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50 18F-2 -3.00000 0.00000 0.00000 -0.04071 0.00000
51 18F+3 0.00000 0.00000 0.00000 0.00000 0.00000
52 18F-3 0.00000 1.63572 0.00000 0.00000 0.00000
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55 19F-1 0.00000 0.00000 0.16425 0.00000 0.17680
56 19F+2 0.00000 0.00000 0.74899 0.00000 -0.07936
57 19F-2 -0.00257 0.00000 0.00000 0.74899 0.00000
58 19F+3 0.00000 0.00000 0.00000 0.00000 0.00000
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64 20F-2 0.00901 0.00000 0.00000 -0.06267 0.00000
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122 11D-2 -0.09532 0.00000 0.00000 -0.06757 0.00000
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126 12D+2 0.00000 0.29340 0.37612 0.00000 -0.12170
127 12D-2 0.59946 0.00000 0.00000 0.42854 0.00000
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129 13F+1 -0.00690 0.00000 0.00000 0.00016 0.00000
130 13F-1 0.00000 0.00488 0.00349 0.00000 0.00747
131 13F+2 0.00000 0.00407 0.00641 0.00000 0.00310
132 13F-2 0.00172 0.00000 0.00000 -0.00141 0.00000
133 13F+3 -0.00777 0.00000 0.00000 -0.00529 0.00000
134 13F-3 0.00000 -0.00183 -0.00566 0.00000 -0.00067
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138 14F+2 0.00000 0.00190 0.03364 0.00000 -0.06765
139 14F-2 -0.01089 0.00000 0.00000 0.02925 0.00000
140 14F+3 0.05989 0.00000 0.00000 0.04411 0.00000
141 14F-3 0.00000 -0.00956 -0.01094 0.00000 0.02403
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143 15G+1 -0.00005 0.00000 0.00000 -0.00006 0.00000
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145 15G+2 0.00000 -0.00068 0.00259 0.00000 -0.00353
146 15G-2 -0.00137 0.00000 0.00000 0.00166 0.00000
147 15G+3 -0.00020 0.00000 0.00000 0.00287 0.00000
148 15G-3 0.00000 -0.00156 -0.00318 0.00000 0.00229
149 15G+4 0.00000 -0.00082 -0.00132 0.00000 0.00075
150 15G-4 -0.00203 0.00000 0.00000 -0.00197 0.00000
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152 2S -0.09363 0.05702 -0.14627 0.25334 0.13242
153 3S 1.85455 0.12415 0.66158 -1.14589 -1.10053
154 4S -0.01994 -1.76881 5.35489 -9.27494 -7.73543
155 5S -0.29293 0.70859 -0.88992 1.54139 0.27946
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157 6PY -0.00266 -0.00663 0.00163 -0.01093 -0.00052
158 6PZ 0.00290 -0.00567 0.00812 -0.01406 0.00029
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160 7PY 0.01141 0.03786 -0.01637 0.06700 0.00608
161 7PZ -0.01584 0.03570 -0.04913 0.08509 0.01181
162 8PX -0.35630 0.39578 -0.46484 0.75385 0.07587
163 8PY 0.15946 -0.22851 0.21710 -0.46484 -0.05042
164 8PZ 0.23339 -0.29065 0.37308 -0.64620 -0.10070
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175 11D-1 0.02980 -0.02215 0.03733 -0.03161 -0.09045
176 11D+2 0.00279 0.00286 -0.03947 -0.04868 -0.08201
177 11D-2 -0.10015 -0.00495 -0.04868 0.01675 -0.01757
178 12D 0 0.26317 0.37912 -0.02370 0.04105 -0.10808
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180 12D-1 -0.11389 -0.01392 -0.04900 -0.24195 0.22215
181 12D+2 0.05330 -0.14670 0.41543 0.02270 0.18228
182 12D-2 0.50714 0.25409 0.02270 0.38923 0.17551
183 13F 0 -0.00332 0.00135 -0.00238 0.00412 -0.00055
184 13F+1 0.00027 0.00422 -0.00144 0.00265 -0.00422
185 13F-1 -0.00414 -0.00244 0.00099 -0.00144 0.00017
186 13F+2 0.00654 -0.00203 0.00054 -0.00339 0.00409
187 13F-2 -0.00960 0.00352 -0.00339 0.00446 0.00057
188 13F+3 0.00389 0.00000 0.00458 0.00264 0.00123
189 13F-3 0.00431 -0.00183 0.00283 -0.00490 0.00033
190 14F 0 0.01885 0.01103 -0.00416 0.00720 0.01349
191 14F+1 -0.00326 -0.03049 -0.00719 0.00449 0.04317
192 14F-1 0.02803 0.01760 -0.00381 -0.00719 -0.00532
193 14F+2 -0.03645 -0.00095 0.03035 -0.00190 -0.04751
194 14F-2 0.05223 0.00165 -0.00190 0.03254 0.01163
195 14F+3 -0.02994 0.00000 -0.03820 -0.02205 -0.00012
196 14F-3 -0.03096 -0.00956 0.00547 -0.00948 -0.01202
197 15G 0 -0.00057 -0.00060 -0.00058 0.00100 0.00116
198 15G+1 -0.00050 -0.00199 0.00031 -0.00059 -0.00009
199 15G-1 0.00026 0.00115 -0.00024 0.00031 -0.00043
200 15G+2 -0.00058 0.00034 0.00189 -0.00040 -0.00213
201 15G-2 -0.00036 -0.00059 -0.00040 0.00236 0.00081
202 15G+3 0.00010 0.00000 -0.00249 -0.00144 0.00216
203 15G-3 -0.00196 -0.00156 0.00159 -0.00276 -0.00115
204 15G+4 0.00108 0.00041 0.00115 0.00142 -0.00004
205 15G-4 -0.00016 0.00071 -0.00142 0.00050 0.00046
206 4 H 1S 0.00373 0.01730 -0.00823 -0.01426 -0.02236
207 2S 0.09363 0.05702 -0.14627 -0.25334 0.13242
208 3S -1.85455 0.12415 0.66158 1.14589 -1.10053
209 4S 0.01994 -1.76881 5.35489 9.27494 -7.73543
210 5S 0.29293 0.70859 -0.88992 -1.54139 0.27946
211 6PX -0.00174 -0.01149 0.01093 0.01425 0.00335
212 6PY 0.00266 -0.00663 0.00163 0.01093 -0.00052
213 6PZ -0.00290 -0.00567 0.00812 0.01406 0.00029
214 7PX 0.01471 0.06558 -0.06700 -0.09373 -0.00533
215 7PY -0.01141 0.03786 -0.01637 -0.06700 0.00608
216 7PZ 0.01584 0.03570 -0.04913 -0.08509 0.01181
217 8PX -0.35630 -0.39578 0.46484 0.75385 -0.07587
218 8PY -0.15946 -0.22851 0.21710 0.46484 -0.05042
219 8PZ -0.23339 -0.29065 0.37308 0.64620 -0.10070
220 9PX 1.00205 -1.25471 2.11703 1.78618 -2.22831
221 9PY 2.03954 -0.72441 -0.65835 2.11703 -1.35662
222 9PZ -0.37465 1.38628 0.58700 1.01671 -2.05989
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225 10D-1 0.00358 0.00310 -0.00616 -0.00453 0.02030
226 10D+2 -0.00037 -0.00086 0.00766 -0.00762 0.01744
227 10D-2 0.01588 -0.00148 -0.00762 -0.00113 -0.00396
228 11D 0 0.05367 -0.06180 0.00013 0.00023 0.00794
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230 11D-1 -0.02980 -0.02215 0.03733 0.03161 -0.09045
231 11D+2 -0.00279 0.00286 -0.03947 0.04868 -0.08201
232 11D-2 -0.10015 0.00495 0.04868 0.01675 0.01757
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234 12D+1 0.12429 -0.02411 0.24195 0.23037 -0.47426
235 12D-1 0.11389 -0.01392 -0.04900 0.24195 0.22215
236 12D+2 -0.05330 -0.14670 0.41543 -0.02270 0.18228
237 12D-2 0.50714 -0.25409 -0.02270 0.38923 -0.17551
238 13F 0 0.00332 0.00135 -0.00238 -0.00412 -0.00055
239 13F+1 0.00027 -0.00422 0.00144 0.00265 0.00422
240 13F-1 0.00414 -0.00244 0.00099 0.00144 0.00017
241 13F+2 -0.00654 -0.00203 0.00054 0.00339 0.00409
242 13F-2 -0.00960 -0.00352 0.00339 0.00446 -0.00057
243 13F+3 0.00389 0.00000 -0.00458 0.00264 -0.00123
244 13F-3 -0.00431 -0.00183 0.00283 0.00490 0.00033
245 14F 0 -0.01885 0.01103 -0.00416 -0.00720 0.01349
246 14F+1 -0.00326 0.03049 0.00719 0.00449 -0.04317
247 14F-1 -0.02803 0.01760 -0.00381 0.00719 -0.00532
248 14F+2 0.03645 -0.00095 0.03035 0.00190 -0.04751
249 14F-2 0.05223 -0.00165 0.00190 0.03254 -0.01163
250 14F+3 -0.02994 0.00000 0.03820 -0.02205 0.00012
251 14F-3 0.03096 -0.00956 0.00547 0.00948 -0.01202
252 15G 0 0.00057 -0.00060 -0.00058 -0.00100 0.00116
253 15G+1 -0.00050 0.00199 -0.00031 -0.00059 0.00009
254 15G-1 -0.00026 0.00115 -0.00024 -0.00031 -0.00043
255 15G+2 0.00058 0.00034 0.00189 0.00040 -0.00213
256 15G-2 -0.00036 0.00059 0.00040 0.00236 -0.00081
257 15G+3 0.00010 0.00000 0.00249 -0.00144 -0.00216
258 15G-3 0.00196 -0.00156 0.00159 0.00276 -0.00115
259 15G+4 -0.00108 0.00041 0.00115 -0.00142 -0.00004
260 15G-4 -0.00016 -0.00071 0.00142 0.00050 -0.00046
51 52 53 54 55
(E)--V (E)--V (E)--V (A2)--V (E)--V
Eigenvalues -- 1.53503 1.66923 1.66923 1.68379 1.72656
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2 2S 0.00000 0.00000 0.00000 0.00000 0.00000
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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
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9 8PY 0.00000 0.00000 0.00348 0.00000 0.01572
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13 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
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19 11PZ 0.00000 0.00000 0.00000 0.00000 0.00000
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22 12PZ 0.00000 0.00000 0.00000 0.00000 0.00000
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25 13PZ 0.00000 0.00000 0.00000 0.00000 0.00000
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28 14D-1 0.00000 0.00000 -0.68430 0.00000 1.89515
29 14D+2 0.00000 0.00000 1.21598 0.00000 1.73693
30 14D-2 -4.46358 1.21598 0.00000 0.00000 0.00000
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32 15D+1 -1.78142 -0.17170 0.00000 0.00000 0.00000
33 15D-1 0.00000 0.00000 -0.17170 0.00000 1.68788
34 15D+2 0.00000 0.00000 0.12339 0.00000 1.02948
35 15D-2 -1.55236 0.12339 0.00000 0.00000 0.00000
36 16D 0 0.00000 0.00000 0.00000 0.00000 0.00000
37 16D+1 0.07792 0.05923 0.00000 0.00000 0.00000
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39 16D+2 0.00000 0.00000 -0.05313 0.00000 -0.06227
40 16D-2 0.08843 -0.05313 0.00000 0.00000 0.00000
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42 17D+1 -0.08067 0.00629 0.00000 0.00000 0.00000
43 17D-1 0.00000 0.00000 0.00629 0.00000 0.05267
44 17D+2 0.00000 0.00000 0.00153 0.00000 0.03289
45 17D-2 -0.07198 0.00153 0.00000 0.00000 0.00000
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49 18F+2 0.00000 0.00000 -0.42694 0.00000 -0.88455
50 18F-2 2.20784 -0.42694 0.00000 0.00000 0.00000
51 18F+3 0.00000 0.00000 0.00000 0.11771 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
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55 19F-1 0.00000 0.00000 0.63091 0.00000 -1.39486
56 19F+2 0.00000 0.00000 -0.11334 0.00000 -1.13675
57 19F-2 0.07936 -0.11334 0.00000 0.00000 0.00000
58 19F+3 0.00000 0.00000 0.00000 1.68454 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 0.05387 -0.07280 0.00000 0.00000 0.00000
62 20F-1 0.00000 0.00000 -0.07280 0.00000 0.15866
63 20F+2 0.00000 0.00000 0.01305 0.00000 0.08152
64 20F-2 0.06006 0.01305 0.00000 0.00000 0.00000
65 20F+3 0.00000 0.00000 0.00000 -0.21484 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 0.20726 -0.30946 0.00000 0.00000 0.00000
69 21G-1 0.00000 0.00000 -0.30946 0.00000 0.42844
70 21G+2 0.00000 0.00000 -0.13841 0.00000 0.75973
71 21G-2 0.02445 -0.13841 0.00000 0.00000 0.00000
72 21G+3 0.00000 0.00000 0.00000 -0.96894 0.00000
73 21G-3 0.00000 0.00000 0.00000 0.00000 0.00000
74 21G+4 0.00000 0.00000 0.14665 0.00000 0.38502
75 21G-4 -0.17361 -0.14665 0.00000 0.00000 0.00000
76 22G 0 0.00000 0.00000 0.00000 0.00000 0.00000
77 22G+1 0.03293 0.02696 0.00000 0.00000 0.00000
78 22G-1 0.00000 0.00000 0.02696 0.00000 -0.00957
79 22G+2 0.00000 0.00000 -0.00898 0.00000 0.03823
80 22G-2 -0.01903 -0.00898 0.00000 0.00000 0.00000
81 22G+3 0.00000 0.00000 0.00000 -0.02789 0.00000
82 22G-3 0.00000 0.00000 0.00000 0.00000 0.00000
83 22G+4 0.00000 0.00000 -0.03545 0.00000 -0.03373
84 22G-4 -0.03305 0.03545 0.00000 0.00000 0.00000
85 23H 0 0.00000 0.00000 0.00000 0.00000 0.00000
86 23H+1 -0.03647 -0.02452 0.00000 0.00000 0.00000
87 23H-1 0.00000 0.00000 -0.02452 0.00000 0.04122
88 23H+2 0.00000 0.00000 0.03883 0.00000 -0.09558
89 23H-2 -0.01753 0.03883 0.00000 0.00000 0.00000
90 23H+3 0.00000 0.00000 0.00000 0.12614 0.00000
91 23H-3 0.00000 0.00000 0.00000 0.00000 0.00000
92 23H+4 0.00000 0.00000 0.00061 0.00000 -0.02506
93 23H-4 0.06838 -0.00061 0.00000 0.00000 0.00000
94 23H+5 -0.00481 0.03755 0.00000 0.00000 0.00000
95 23H-5 0.00000 0.00000 -0.03755 0.00000 -0.02609
96 2 H 1S 0.00000 0.00000 0.00339 0.00000 0.03485
97 2S 0.00000 0.00000 -0.01320 0.00000 -0.33618
98 3S 0.00000 0.00000 0.21204 0.00000 2.45560
99 4S 0.00000 0.00000 -0.10652 0.00000 4.60777
100 5S 0.00000 0.00000 0.03604 0.00000 0.13155
101 6PX 0.00245 0.00604 0.00000 -0.02167 0.00000
102 6PY 0.00000 0.00000 -0.00565 0.00000 0.00911
103 6PZ 0.00000 0.00000 -0.01214 0.00000 0.02077
104 7PX -0.00916 -0.02047 0.00000 0.06068 0.00000
105 7PY 0.00000 0.00000 0.01577 0.00000 0.03036
106 7PZ 0.00000 0.00000 0.04023 0.00000 -0.08780
107 8PX 0.00661 0.12481 0.00000 -0.27487 0.00000
108 8PY 0.00000 0.00000 -0.07588 0.00000 -0.42485
109 8PZ 0.00000 0.00000 -0.20462 0.00000 0.60598
110 9PX 0.07011 -0.87956 0.00000 1.29065 0.00000
111 9PY 0.00000 0.00000 0.57535 0.00000 -2.97685
112 9PZ 0.00000 0.00000 0.73623 0.00000 0.01530
113 10D 0 0.00000 0.00000 0.02921 0.00000 0.01044
114 10D+1 -0.02570 0.00218 0.00000 0.00146 0.00000
115 10D-1 0.00000 0.00000 0.02708 0.00000 0.01673
116 10D+2 0.00000 0.00000 -0.03679 0.00000 -0.00259
117 10D-2 -0.01972 -0.00274 0.00000 0.00620 0.00000
118 11D 0 0.00000 0.00000 -0.14088 0.00000 -0.02494
119 11D+1 0.11611 -0.00557 0.00000 -0.02039 0.00000
120 11D-1 0.00000 0.00000 -0.11598 0.00000 -0.09693
121 11D+2 0.00000 0.00000 0.15714 0.00000 0.01734
122 11D-2 0.09215 0.00452 0.00000 -0.00920 0.00000
123 12D 0 0.00000 0.00000 0.76761 0.00000 -0.65583
124 12D+1 -0.49596 -0.06228 0.00000 0.47928 0.00000
125 12D-1 0.00000 0.00000 0.30674 0.00000 0.06871
126 12D+2 0.00000 0.00000 -0.36732 0.00000 -0.96853
127 12D-2 -0.28361 0.10966 0.00000 -0.57497 0.00000
128 13F 0 0.00000 0.00000 -0.00050 0.00000 0.00768
129 13F+1 0.00226 -0.00101 0.00000 -0.00245 0.00000
130 13F-1 0.00000 0.00000 0.01037 0.00000 -0.02546
131 13F+2 0.00000 0.00000 0.00197 0.00000 -0.00155
132 13F-2 -0.00442 -0.00730 0.00000 0.01736 0.00000
133 13F+3 0.00142 -0.00158 0.00000 0.01780 0.00000
134 13F-3 0.00000 0.00000 0.01024 0.00000 -0.00925
135 14F 0 0.00000 0.00000 0.01343 0.00000 -0.09461
136 14F+1 -0.01961 0.00138 0.00000 0.02175 0.00000
137 14F-1 0.00000 0.00000 -0.09061 0.00000 0.20747
138 14F+2 0.00000 0.00000 -0.01045 0.00000 -0.03255
139 14F-2 0.04080 0.04841 0.00000 -0.15588 0.00000
140 14F+3 -0.00014 0.02017 0.00000 -0.15222 0.00000
141 14F-3 0.00000 0.00000 -0.07147 0.00000 0.12012
142 15G 0 0.00000 0.00000 -0.00109 0.00000 0.00231
143 15G+1 0.00048 -0.00058 0.00000 -0.00211 0.00000
144 15G-1 0.00000 0.00000 -0.00328 0.00000 0.00654
145 15G+2 0.00000 0.00000 -0.00251 0.00000 0.00593
146 15G-2 0.00167 0.00049 0.00000 -0.00254 0.00000
147 15G+3 0.00249 0.00112 0.00000 -0.00690 0.00000
148 15G-3 0.00000 0.00000 -0.00035 0.00000 0.00143
149 15G+4 0.00000 0.00000 -0.00089 0.00000 0.00432
150 15G-4 -0.00030 -0.00068 0.00000 0.00488 0.00000
151 3 H 1S -0.03873 0.00294 -0.00170 0.00000 -0.01742
152 2S 0.22936 -0.01143 0.00660 0.00000 0.16809
153 3S -1.90617 0.18363 -0.10602 0.00000 -1.22780
154 4S -13.39816 -0.09225 0.05326 0.00000 -2.30388
155 5S 0.48404 0.03121 -0.01802 0.00000 -0.06577
156 6PX -0.00334 -0.00273 0.00506 0.01084 0.00111
157 6PY 0.00335 0.00506 0.00312 0.01877 0.01103
158 6PZ 0.00050 -0.01052 0.00607 0.00000 -0.01038
159 7PX 0.00007 0.00671 -0.01569 -0.03034 -0.02762
160 7PY -0.00533 -0.01569 -0.01141 -0.05255 -0.01747
161 7PZ 0.02045 0.03484 -0.02011 0.00000 0.04390
162 8PX 0.13803 -0.02571 0.08690 0.13743 0.24632
163 8PY -0.07587 0.08690 0.07463 0.23804 0.00178
164 8PZ -0.17442 -0.17721 0.10231 0.00000 -0.30299
165 9PX 3.92965 0.21162 -0.62999 -0.64532 0.83868
166 9PY -2.22831 -0.62999 -0.51583 -1.11774 -1.52421
167 9PZ -3.56784 0.63760 -0.36812 0.00000 -0.00765
168 10D 0 -0.00138 0.02529 -0.01460 0.00000 -0.00522
169 10D+1 -0.00949 0.02086 -0.01079 -0.00073 -0.01275
170 10D-1 -0.00936 -0.01079 0.00840 -0.00126 -0.00536
171 10D+2 -0.00396 0.01474 -0.01125 -0.00537 -0.00860
172 10D-2 -0.01286 -0.02828 0.01474 -0.00310 -0.00346
173 11D 0 0.01376 -0.12201 0.07044 0.00000 0.01247
174 11D+1 0.03914 -0.08838 0.04781 0.01019 0.07020
175 11D-1 0.04444 0.04781 -0.03318 0.01765 0.02465
176 11D+2 0.01757 -0.06609 0.04268 0.00797 0.03367
177 11D-2 0.06172 0.11899 -0.06609 0.00460 0.00943
178 12D 0 -0.18720 0.66477 -0.38381 0.00000 0.32791
179 12D+1 0.32549 0.21448 -0.15979 -0.23964 -0.22685
180 12D-1 -0.47426 -0.15979 0.02997 -0.41507 -0.32420
181 12D+2 -0.17551 0.20653 -0.00959 0.49794 -0.08855
182 12D-2 0.02038 -0.24807 0.20653 0.28749 0.50805
183 13F 0 -0.00095 -0.00044 0.00025 0.00000 -0.00384
184 13F+1 -0.00504 0.00753 -0.00493 0.00123 0.01056
185 13F-1 0.00422 -0.00493 0.00184 0.00212 -0.00717
186 13F+2 -0.00057 -0.00401 -0.00499 -0.01503 -0.00807
187 13F-2 -0.00343 -0.00035 -0.00401 -0.00868 -0.00376
188 13F+3 -0.00071 0.00079 0.00137 0.01780 0.00709
189 13F-3 0.00058 0.00886 -0.00512 0.00000 0.00463
190 14F 0 0.02337 0.01163 -0.00671 0.00000 0.04731
191 14F+1 0.05516 -0.06761 0.03983 -0.01088 -0.08878
192 14F-1 -0.04317 0.03983 -0.02161 -0.01884 0.05369
193 14F+2 -0.01163 0.02549 0.03370 0.13500 0.05523
194 14F-2 0.06094 0.00427 0.02549 0.07794 0.05068
195 14F+3 0.00007 -0.01009 -0.01747 -0.15222 -0.06277
196 14F-3 -0.02081 -0.06190 0.03574 0.00000 -0.06006
197 15G 0 0.00200 -0.00095 0.00055 0.00000 -0.00116
198 15G+1 0.00032 -0.00261 0.00117 0.00106 -0.00261
199 15G-1 0.00009 0.00117 -0.00126 0.00183 0.00202
200 15G+2 -0.00081 0.00130 -0.00026 0.00220 0.00194
201 15G-2 0.00306 -0.00176 0.00130 0.00127 -0.00230
202 15G+3 -0.00125 -0.00056 -0.00097 -0.00690 -0.00250
203 15G-3 -0.00199 -0.00031 0.00018 0.00000 -0.00072
204 15G+4 0.00046 0.00068 0.00029 0.00422 0.00186
205 15G-4 0.00049 0.00050 -0.00068 -0.00244 0.00142
206 4 H 1S 0.03873 -0.00294 -0.00170 0.00000 -0.01742
207 2S -0.22936 0.01143 0.00660 0.00000 0.16809
208 3S 1.90617 -0.18363 -0.10602 0.00000 -1.22780
209 4S 13.39816 0.09225 0.05326 0.00000 -2.30388
210 5S -0.48404 -0.03121 -0.01802 0.00000 -0.06577
211 6PX -0.00334 -0.00273 -0.00506 0.01084 -0.00111
212 6PY -0.00335 -0.00506 0.00312 -0.01877 0.01103
213 6PZ -0.00050 0.01052 0.00607 0.00000 -0.01038
214 7PX 0.00007 0.00671 0.01569 -0.03034 0.02762
215 7PY 0.00533 0.01569 -0.01141 0.05255 -0.01747
216 7PZ -0.02045 -0.03484 -0.02011 0.00000 0.04390
217 8PX 0.13803 -0.02571 -0.08690 0.13743 -0.24632
218 8PY 0.07587 -0.08690 0.07463 -0.23804 0.00178
219 8PZ 0.17442 0.17721 0.10231 0.00000 -0.30299
220 9PX 3.92965 0.21162 0.62999 -0.64532 -0.83868
221 9PY 2.22831 0.62999 -0.51583 1.11774 -1.52421
222 9PZ 3.56784 -0.63760 -0.36812 0.00000 -0.00765
223 10D 0 0.00138 -0.02529 -0.01460 0.00000 -0.00522
224 10D+1 -0.00949 0.02086 0.01079 -0.00073 0.01275
225 10D-1 0.00936 0.01079 0.00840 0.00126 -0.00536
226 10D+2 0.00396 -0.01474 -0.01125 0.00537 -0.00860
227 10D-2 -0.01286 -0.02828 -0.01474 -0.00310 0.00346
228 11D 0 -0.01376 0.12201 0.07044 0.00000 0.01247
229 11D+1 0.03914 -0.08838 -0.04781 0.01019 -0.07020
230 11D-1 -0.04444 -0.04781 -0.03318 -0.01765 0.02465
231 11D+2 -0.01757 0.06609 0.04268 -0.00797 0.03367
232 11D-2 0.06172 0.11899 0.06609 0.00460 -0.00943
233 12D 0 0.18720 -0.66477 -0.38381 0.00000 0.32791
234 12D+1 0.32549 0.21448 0.15979 -0.23964 0.22685
235 12D-1 0.47426 0.15979 0.02997 0.41507 -0.32420
236 12D+2 0.17551 -0.20653 -0.00959 -0.49794 -0.08855
237 12D-2 0.02038 -0.24807 -0.20653 0.28749 -0.50805
238 13F 0 0.00095 0.00044 0.00025 0.00000 -0.00384
239 13F+1 -0.00504 0.00753 0.00493 0.00123 -0.01056
240 13F-1 -0.00422 0.00493 0.00184 -0.00212 -0.00717
241 13F+2 0.00057 0.00401 -0.00499 0.01503 -0.00807
242 13F-2 -0.00343 -0.00035 0.00401 -0.00868 0.00376
243 13F+3 -0.00071 0.00079 -0.00137 0.01780 -0.00709
244 13F-3 -0.00058 -0.00886 -0.00512 0.00000 0.00463
245 14F 0 -0.02337 -0.01163 -0.00671 0.00000 0.04731
246 14F+1 0.05516 -0.06761 -0.03983 -0.01088 0.08878
247 14F-1 0.04317 -0.03983 -0.02161 0.01884 0.05369
248 14F+2 0.01163 -0.02549 0.03370 -0.13500 0.05523
249 14F-2 0.06094 0.00427 -0.02549 0.07794 -0.05068
250 14F+3 0.00007 -0.01009 0.01747 -0.15222 0.06277
251 14F-3 0.02081 0.06190 0.03574 0.00000 -0.06006
252 15G 0 -0.00200 0.00095 0.00055 0.00000 -0.00116
253 15G+1 0.00032 -0.00261 -0.00117 0.00106 0.00261
254 15G-1 -0.00009 -0.00117 -0.00126 -0.00183 0.00202
255 15G+2 0.00081 -0.00130 -0.00026 -0.00220 0.00194
256 15G-2 0.00306 -0.00176 -0.00130 0.00127 0.00230
257 15G+3 -0.00125 -0.00056 0.00097 -0.00690 0.00250
258 15G-3 0.00199 0.00031 0.00018 0.00000 -0.00072
259 15G+4 -0.00046 -0.00068 0.00029 -0.00422 0.00186
260 15G-4 0.00049 0.00050 0.00068 -0.00244 -0.00142
56 57 58 59 60
(E)--V (A1)--V (A1)--V (E)--V (E)--V
Eigenvalues -- 1.72656 1.78723 1.81966 1.86617 1.86617
1 1 P 1S 0.00000 -0.04024 -0.00499 0.00000 0.00000
2 2S 0.00000 0.11646 0.02867 0.00000 0.00000
3 3S 0.00000 -0.06301 0.03715 0.00000 0.00000
4 4S 0.00000 1.47758 0.51129 0.00000 0.00000
5 5S 0.00000 -13.46296 -3.63911 0.00000 0.00000
6 6S 0.00000 36.19210 8.86595 0.00000 0.00000
7 7S 0.00000 8.62433 4.29692 0.00000 0.00000
8 8PX 0.01572 0.00000 0.00000 -0.03407 0.00000
9 8PY 0.00000 0.00000 0.00000 0.00000 -0.03407
10 8PZ 0.00000 0.06273 -0.00264 0.00000 0.00000
11 9PX 0.01111 0.00000 0.00000 -0.02884 0.00000
12 9PY 0.00000 0.00000 0.00000 0.00000 -0.02884
13 9PZ 0.00000 0.07220 0.04304 0.00000 0.00000
14 10PX 0.15906 0.00000 0.00000 -0.31570 0.00000
15 10PY 0.00000 0.00000 0.00000 0.00000 -0.31570
16 10PZ 0.00000 0.57636 0.14123 0.00000 0.00000
17 11PX -0.60487 0.00000 0.00000 1.69790 0.00000
18 11PY 0.00000 0.00000 0.00000 0.00000 1.69790
19 11PZ 0.00000 -1.57423 0.11472 0.00000 0.00000
20 12PX -3.92753 0.00000 0.00000 -1.15718 0.00000
21 12PY 0.00000 0.00000 0.00000 0.00000 -1.15718
22 12PZ 0.00000 -14.65070 -5.37646 0.00000 0.00000
23 13PX 0.01414 0.00000 0.00000 -0.30440 0.00000
24 13PY 0.00000 0.00000 0.00000 0.00000 -0.30440
25 13PZ 0.00000 -1.08594 -1.00346 0.00000 0.00000
26 14D 0 0.00000 -1.25603 1.14283 0.00000 0.00000
27 14D+1 1.89515 0.00000 0.00000 1.11758 0.00000
28 14D-1 0.00000 0.00000 0.00000 0.00000 1.11758
29 14D+2 0.00000 0.00000 0.00000 0.00000 0.14697
30 14D-2 1.73693 0.00000 0.00000 0.14697 0.00000
31 15D 0 0.00000 -0.94336 -0.21829 0.00000 0.00000
32 15D+1 1.68788 0.00000 0.00000 -0.55723 0.00000
33 15D-1 0.00000 0.00000 0.00000 0.00000 -0.55723
34 15D+2 0.00000 0.00000 0.00000 0.00000 -1.86453
35 15D-2 1.02948 0.00000 0.00000 -1.86453 0.00000
36 16D 0 0.00000 0.15242 -0.01927 0.00000 0.00000
37 16D+1 -0.15377 0.00000 0.00000 -0.04917 0.00000
38 16D-1 0.00000 0.00000 0.00000 0.00000 -0.04917
39 16D+2 0.00000 0.00000 0.00000 0.00000 0.32088
40 16D-2 -0.06227 0.00000 0.00000 0.32088 0.00000
41 17D 0 0.00000 -0.03551 -0.01932 0.00000 0.00000
42 17D+1 0.05267 0.00000 0.00000 0.00792 0.00000
43 17D-1 0.00000 0.00000 0.00000 0.00000 0.00792
44 17D+2 0.00000 0.00000 0.00000 0.00000 -0.01925
45 17D-2 0.03289 0.00000 0.00000 -0.01925 0.00000
46 18F 0 0.00000 1.90490 -0.42273 0.00000 0.00000
47 18F+1 -0.45202 0.00000 0.00000 -0.00541 0.00000
48 18F-1 0.00000 0.00000 0.00000 0.00000 -0.00541
49 18F+2 0.00000 0.00000 0.00000 0.00000 -0.80718
50 18F-2 -0.88455 0.00000 0.00000 -0.80718 0.00000
51 18F+3 0.00000 0.00000 0.00000 0.00000 0.00000
52 18F-3 0.00000 -1.99753 -1.04058 0.00000 0.00000
53 19F 0 0.00000 0.97040 0.44363 0.00000 0.00000
54 19F+1 -1.39486 0.00000 0.00000 -0.52404 0.00000
55 19F-1 0.00000 0.00000 0.00000 0.00000 -0.52404
56 19F+2 0.00000 0.00000 0.00000 0.00000 1.96617
57 19F-2 -1.13675 0.00000 0.00000 1.96617 0.00000
58 19F+3 0.00000 0.00000 0.00000 0.00000 0.00000
59 19F-3 0.00000 -1.27192 0.32016 0.00000 0.00000
60 20F 0 0.00000 -0.03384 -0.06502 0.00000 0.00000
61 20F+1 0.15866 0.00000 0.00000 0.09542 0.00000
62 20F-1 0.00000 0.00000 0.00000 0.00000 0.09542
63 20F+2 0.00000 0.00000 0.00000 0.00000 -0.18015
64 20F-2 0.08152 0.00000 0.00000 -0.18015 0.00000
65 20F+3 0.00000 0.00000 0.00000 0.00000 0.00000
66 20F-3 0.00000 0.06825 -0.04244 0.00000 0.00000
67 21G 0 0.00000 -0.06397 -0.48366 0.00000 0.00000
68 21G+1 0.42844 0.00000 0.00000 0.14250 0.00000
69 21G-1 0.00000 0.00000 0.00000 0.00000 0.14250
70 21G+2 0.00000 0.00000 0.00000 0.00000 -0.35432
71 21G-2 0.75973 0.00000 0.00000 -0.35432 0.00000
72 21G+3 0.00000 0.00000 0.00000 0.00000 0.00000
73 21G-3 0.00000 0.68211 0.08825 0.00000 0.00000
74 21G+4 0.00000 0.00000 0.00000 0.00000 -0.20057
75 21G-4 -0.38502 0.00000 0.00000 0.20057 0.00000
76 22G 0 0.00000 -0.09012 0.05747 0.00000 0.00000
77 22G+1 -0.00957 0.00000 0.00000 0.03022 0.00000
78 22G-1 0.00000 0.00000 0.00000 0.00000 0.03022
79 22G+2 0.00000 0.00000 0.00000 0.00000 -0.01853
80 22G-2 0.03823 0.00000 0.00000 -0.01853 0.00000
81 22G+3 0.00000 0.00000 0.00000 0.00000 0.00000
82 22G-3 0.00000 0.13928 0.03978 0.00000 0.00000
83 22G+4 0.00000 0.00000 0.00000 0.00000 0.01111
84 22G-4 0.03373 0.00000 0.00000 -0.01111 0.00000
85 23H 0 0.00000 -0.05559 0.01835 0.00000 0.00000
86 23H+1 0.04122 0.00000 0.00000 -0.02539 0.00000
87 23H-1 0.00000 0.00000 0.00000 0.00000 -0.02539
88 23H+2 0.00000 0.00000 0.00000 0.00000 -0.02718
89 23H-2 -0.09558 0.00000 0.00000 -0.02718 0.00000
90 23H+3 0.00000 0.00000 0.00000 0.00000 0.00000
91 23H-3 0.00000 -0.10256 -0.05153 0.00000 0.00000
92 23H+4 0.00000 0.00000 0.00000 0.00000 0.05226
93 23H-4 0.02506 0.00000 0.00000 -0.05226 0.00000
94 23H+5 0.02609 0.00000 0.00000 -0.07650 0.00000
95 23H-5 0.00000 0.00000 0.00000 0.00000 0.07650
96 2 H 1S 0.00000 -0.04030 -0.00133 0.00000 -0.00813
97 2S 0.00000 0.34481 0.02101 0.00000 0.23789
98 3S 0.00000 -3.28339 -0.52662 0.00000 -1.00159
99 4S 0.00000 -12.28818 -3.99463 0.00000 0.31734
100 5S 0.00000 -0.24016 -0.26612 0.00000 -0.24409
101 6PX 0.01167 0.00000 0.00000 -0.02541 0.00000
102 6PY 0.00000 0.01692 0.00000 0.00000 0.00882
103 6PZ 0.00000 -0.01102 -0.01179 0.00000 0.00514
104 7PX -0.03342 0.00000 0.00000 0.07813 0.00000
105 7PY 0.00000 -0.12261 -0.00835 0.00000 -0.07699
106 7PZ 0.00000 0.09389 0.05237 0.00000 0.01357
107 8PX 0.14399 0.00000 0.00000 -0.50222 0.00000
108 8PY 0.00000 1.02502 0.18737 0.00000 0.67032
109 8PZ 0.00000 -0.69183 -0.35425 0.00000 -0.17413
110 9PX -1.04000 0.00000 0.00000 1.34443 0.00000
111 9PY 0.00000 4.47524 1.65740 0.00000 0.66929
112 9PZ 0.00000 -3.54911 -0.12126 0.00000 -0.78399
113 10D 0 0.00000 0.00093 -0.03038 0.00000 0.00818
114 10D+1 -0.01272 0.00000 0.00000 -0.00340 0.00000
115 10D-1 0.00000 -0.00399 -0.01510 0.00000 0.00412
116 10D+2 0.00000 -0.01016 0.01735 0.00000 -0.02189
117 10D-2 -0.01060 0.00000 0.00000 -0.01059 0.00000
118 11D 0 0.00000 0.00573 0.13674 0.00000 -0.02567
119 11D+1 0.06518 0.00000 0.00000 0.00220 0.00000
120 11D-1 0.00000 0.02140 0.07745 0.00000 -0.02143
121 11D+2 0.00000 0.05741 -0.07710 0.00000 0.10953
122 11D-2 0.03912 0.00000 0.00000 0.08358 0.00000
123 12D 0 0.00000 -0.18448 -0.41839 0.00000 0.02209
124 12D+1 -0.45517 0.00000 0.00000 0.34624 0.00000
125 12D-1 0.00000 0.92092 -0.18423 0.00000 0.85628
126 12D+2 0.00000 0.35968 0.47680 0.00000 0.02442
127 12D-2 0.20477 0.00000 0.00000 -1.00724 0.00000
128 13F 0 0.00000 0.00239 -0.00190 0.00000 -0.00151
129 13F+1 -0.00107 0.00000 0.00000 -0.00210 0.00000
130 13F-1 0.00000 -0.00761 0.00410 0.00000 -0.01000
131 13F+2 0.00000 -0.00268 0.00281 0.00000 -0.00381
132 13F-2 -0.01024 0.00000 0.00000 0.01680 0.00000
133 13F+3 -0.00818 0.00000 0.00000 0.02225 0.00000
134 13F-3 0.00000 -0.00205 0.00370 0.00000 0.00258
135 14F 0 0.00000 0.01823 0.02272 0.00000 0.03904
136 14F+1 0.00243 0.00000 0.00000 0.01497 0.00000
137 14F-1 0.00000 0.08783 -0.02996 0.00000 0.09563
138 14F+2 0.00000 0.08373 -0.00353 0.00000 0.07720
139 14F-2 0.08448 0.00000 0.00000 -0.15152 0.00000
140 14F+3 0.07248 0.00000 0.00000 -0.19285 0.00000
141 14F-3 0.00000 -0.02607 -0.02752 0.00000 -0.03706
142 15G 0 0.00000 0.00281 0.00056 0.00000 0.00437
143 15G+1 0.00051 0.00000 0.00000 -0.00135 0.00000
144 15G-1 0.00000 -0.00041 -0.00143 0.00000 0.00113
145 15G+2 0.00000 0.00260 -0.00001 0.00000 0.00447
146 15G-2 0.00061 0.00000 0.00000 -0.00164 0.00000
147 15G+3 0.00289 0.00000 0.00000 -0.00797 0.00000
148 15G-3 0.00000 -0.00300 -0.00029 0.00000 -0.00116
149 15G+4 0.00000 -0.00198 0.00080 0.00000 0.00022
150 15G-4 -0.00104 0.00000 0.00000 0.00868 0.00000
151 3 H 1S 0.03018 -0.04030 -0.00133 -0.00704 0.00406
152 2S -0.29114 0.34481 0.02101 0.20602 -0.11895
153 3S 2.12661 -3.28339 -0.52662 -0.86740 0.50079
154 4S 3.99045 -12.28818 -3.99463 0.27482 -0.15867
155 5S 0.11392 -0.24016 -0.26612 -0.21139 0.12205
156 6PX 0.00975 0.01465 0.00000 0.00026 -0.01482
157 6PY 0.00111 -0.00846 0.00000 -0.01482 -0.01686
158 6PZ 0.01799 -0.01102 -0.01179 0.00445 -0.00257
159 7PX 0.01442 -0.10619 -0.00723 -0.03821 0.06717
160 7PY -0.02762 0.06131 0.00418 0.06717 0.03935
161 7PZ -0.07604 0.09389 0.05237 0.01175 -0.00679
162 8PX -0.28264 0.88769 0.16227 0.37719 -0.50772
163 8PY 0.24632 -0.51251 -0.09369 -0.50772 -0.20908
164 8PZ 0.52479 -0.69183 -0.35425 -0.15080 0.08706
165 9PX -2.49264 3.87567 1.43535 0.83808 0.29234
166 9PY 0.83868 -2.23762 -0.82870 0.29234 1.17564
167 9PZ 0.01325 -3.54911 -0.12126 -0.67895 0.39199
168 10D 0 0.00904 0.00093 -0.03038 0.00708 -0.00409
169 10D+1 0.00937 -0.00345 -0.01307 0.00224 -0.00326
170 10D-1 -0.01275 0.00199 0.00755 -0.00326 -0.00152
171 10D+2 -0.00346 0.00508 -0.00867 0.00489 -0.01342
172 10D-2 -0.00460 -0.00880 0.01502 -0.01907 0.00489
173 11D 0 -0.02160 0.00573 0.13674 -0.02223 0.01284
174 11D+1 -0.05641 0.01853 0.06707 -0.01552 0.01023
175 11D-1 0.07020 -0.01070 -0.03872 0.01023 -0.00371
176 11D+2 0.00943 -0.02871 0.03855 -0.01124 0.09007
177 11D-2 0.02279 0.04972 -0.06677 0.10304 -0.01124
178 12D 0 -0.56796 -0.18448 -0.41839 0.01913 -0.01105
179 12D+1 -0.06226 0.79754 -0.15954 0.72877 -0.22085
180 12D-1 -0.22685 -0.46046 0.09211 -0.22085 0.47375
181 12D+2 0.50805 -0.17984 -0.23840 -0.44672 -0.74933
182 12D-2 -0.67520 0.31149 0.41292 -0.23350 -0.44672
183 13F 0 0.00665 0.00239 -0.00190 -0.00131 0.00075
184 13F+1 -0.01936 -0.00659 0.00355 -0.00802 0.00342
185 13F-1 0.01056 0.00381 -0.00205 0.00342 -0.00408
186 13F+2 -0.00376 0.00134 -0.00141 0.00893 0.01165
187 13F-2 -0.00372 -0.00232 0.00243 0.00134 0.00893
188 13F+3 0.00409 0.00000 0.00000 -0.01112 -0.01926
189 13F-3 -0.00801 -0.00205 0.00370 0.00223 -0.00129
190 14F 0 -0.08194 0.01823 0.02272 0.03381 -0.01952
191 14F+1 0.15621 0.07606 -0.02595 0.07546 -0.03493
192 14F-1 -0.08878 -0.04392 0.01498 -0.03493 0.03514
193 14F+2 0.05068 -0.04187 0.00177 -0.09904 -0.09434
194 14F-2 -0.00329 0.07251 -0.00306 0.02002 -0.09904
195 14F+3 -0.03624 0.00000 0.00000 0.09642 0.16701
196 14F-3 0.10403 -0.02607 -0.02752 -0.03209 0.01853
197 15G 0 0.00200 0.00281 0.00056 0.00379 -0.00219
198 15G+1 0.00503 -0.00036 -0.00124 0.00051 -0.00108
199 15G-1 -0.00261 0.00021 0.00071 -0.00108 -0.00073
200 15G+2 -0.00230 -0.00130 0.00001 -0.00265 -0.00011
201 15G-2 0.00460 0.00225 -0.00001 0.00294 -0.00265
202 15G+3 -0.00144 0.00000 0.00000 0.00399 0.00690
203 15G-3 0.00124 -0.00300 -0.00029 -0.00100 0.00058
204 15G+4 -0.00142 0.00099 -0.00040 -0.00386 -0.00646
205 15G-4 -0.00350 0.00171 -0.00069 0.00200 0.00386
206 4 H 1S -0.03018 -0.04030 -0.00133 0.00704 0.00406
207 2S 0.29114 0.34481 0.02101 -0.20602 -0.11895
208 3S -2.12661 -3.28339 -0.52662 0.86740 0.50079
209 4S -3.99045 -12.28818 -3.99463 -0.27482 -0.15867
210 5S -0.11392 -0.24016 -0.26612 0.21139 0.12205
211 6PX 0.00975 -0.01465 0.00000 0.00026 0.01482
212 6PY -0.00111 -0.00846 0.00000 0.01482 -0.01686
213 6PZ -0.01799 -0.01102 -0.01179 -0.00445 -0.00257
214 7PX 0.01442 0.10619 0.00723 -0.03821 -0.06717
215 7PY 0.02762 0.06131 0.00418 -0.06717 0.03935
216 7PZ 0.07604 0.09389 0.05237 -0.01175 -0.00679
217 8PX -0.28264 -0.88769 -0.16227 0.37719 0.50772
218 8PY -0.24632 -0.51251 -0.09369 0.50772 -0.20908
219 8PZ -0.52479 -0.69183 -0.35425 0.15080 0.08706
220 9PX -2.49264 -3.87567 -1.43535 0.83808 -0.29234
221 9PY -0.83868 -2.23762 -0.82870 -0.29234 1.17564
222 9PZ -0.01325 -3.54911 -0.12126 0.67895 0.39199
223 10D 0 -0.00904 0.00093 -0.03038 -0.00708 -0.00409
224 10D+1 0.00937 0.00345 0.01307 0.00224 0.00326
225 10D-1 0.01275 0.00199 0.00755 0.00326 -0.00152
226 10D+2 0.00346 0.00508 -0.00867 -0.00489 -0.01342
227 10D-2 -0.00460 0.00880 -0.01502 -0.01907 -0.00489
228 11D 0 0.02160 0.00573 0.13674 0.02223 0.01284
229 11D+1 -0.05641 -0.01853 -0.06707 -0.01552 -0.01023
230 11D-1 -0.07020 -0.01070 -0.03872 -0.01023 -0.00371
231 11D+2 -0.00943 -0.02871 0.03855 0.01124 0.09007
232 11D-2 0.02279 -0.04972 0.06677 0.10304 0.01124
233 12D 0 0.56796 -0.18448 -0.41839 -0.01913 -0.01105
234 12D+1 -0.06226 -0.79754 0.15954 0.72877 0.22085
235 12D-1 0.22685 -0.46046 0.09211 0.22085 0.47375
236 12D+2 -0.50805 -0.17984 -0.23840 0.44672 -0.74933
237 12D-2 -0.67520 -0.31149 -0.41292 -0.23350 0.44672
238 13F 0 -0.00665 0.00239 -0.00190 0.00131 0.00075
239 13F+1 -0.01936 0.00659 -0.00355 -0.00802 -0.00342
240 13F-1 -0.01056 0.00381 -0.00205 -0.00342 -0.00408
241 13F+2 0.00376 0.00134 -0.00141 -0.00893 0.01165
242 13F-2 -0.00372 0.00232 -0.00243 0.00134 -0.00893
243 13F+3 0.00409 0.00000 0.00000 -0.01112 0.01926
244 13F-3 0.00801 -0.00205 0.00370 -0.00223 -0.00129
245 14F 0 0.08194 0.01823 0.02272 -0.03381 -0.01952
246 14F+1 0.15621 -0.07606 0.02595 0.07546 0.03493
247 14F-1 0.08878 -0.04392 0.01498 0.03493 0.03514
248 14F+2 -0.05068 -0.04187 0.00177 0.09904 -0.09434
249 14F-2 -0.00329 -0.07251 0.00306 0.02002 0.09904
250 14F+3 -0.03624 0.00000 0.00000 0.09642 -0.16701
251 14F-3 -0.10403 -0.02607 -0.02752 0.03209 0.01853
252 15G 0 -0.00200 0.00281 0.00056 -0.00379 -0.00219
253 15G+1 0.00503 0.00036 0.00124 0.00051 0.00108
254 15G-1 0.00261 0.00021 0.00071 0.00108 -0.00073
255 15G+2 0.00230 -0.00130 0.00001 0.00265 -0.00011
256 15G-2 0.00460 -0.00225 0.00001 0.00294 0.00265
257 15G+3 -0.00144 0.00000 0.00000 0.00399 -0.00690
258 15G-3 -0.00124 -0.00300 -0.00029 0.00100 0.00058
259 15G+4 0.00142 0.00099 -0.00040 0.00386 -0.00646
260 15G-4 -0.00350 -0.00171 0.00069 0.00200 -0.00386
61 62 63 64 65
(A2)--V (E)--V (E)--V (A1)--V (A1)--V
Eigenvalues -- 1.91507 1.93746 1.93746 1.94467 2.03869
1 1 P 1S 0.00000 0.00000 0.00000 -0.00972 0.00165
2 2S 0.00000 0.00000 0.00000 -0.04433 -0.00096
3 3S 0.00000 0.00000 0.00000 -0.24222 0.01779
4 4S 0.00000 0.00000 0.00000 -1.16294 0.08455
5 5S 0.00000 0.00000 0.00000 2.64762 -0.72716
6 6S 0.00000 0.00000 0.00000 1.27144 1.57374
7 7S 0.00000 0.00000 0.00000 -2.14300 0.63954
8 8PX 0.00000 0.00000 0.03290 0.00000 0.00000
9 8PY 0.00000 0.03290 0.00000 0.00000 0.00000
10 8PZ 0.00000 0.00000 0.00000 -0.01275 -0.00097
11 9PX 0.00000 0.00000 -0.05343 0.00000 0.00000
12 9PY 0.00000 -0.05343 0.00000 0.00000 0.00000
13 9PZ 0.00000 0.00000 0.00000 -0.00243 0.00279
14 10PX 0.00000 0.00000 -0.05843 0.00000 0.00000
15 10PY 0.00000 -0.05843 0.00000 0.00000 0.00000
16 10PZ 0.00000 0.00000 0.00000 0.05724 -0.00518
17 11PX 0.00000 0.00000 -1.16440 0.00000 0.00000
18 11PY 0.00000 -1.16440 0.00000 0.00000 0.00000
19 11PZ 0.00000 0.00000 0.00000 -1.00462 0.14859
20 12PX 0.00000 0.00000 11.85999 0.00000 0.00000
21 12PY 0.00000 11.85999 0.00000 0.00000 0.00000
22 12PZ 0.00000 0.00000 0.00000 1.57979 -0.59614
23 13PX 0.00000 0.00000 1.01487 0.00000 0.00000
24 13PY 0.00000 1.01487 0.00000 0.00000 0.00000
25 13PZ 0.00000 0.00000 0.00000 0.73217 -0.14132
26 14D 0 0.00000 0.00000 0.00000 -0.52464 -0.04128
27 14D+1 0.00000 0.00000 -6.28198 0.00000 0.00000
28 14D-1 0.00000 -6.28198 0.00000 0.00000 0.00000
29 14D+2 0.00000 -3.42426 0.00000 0.00000 0.00000
30 14D-2 0.00000 0.00000 -3.42426 0.00000 0.00000
31 15D 0 0.00000 0.00000 0.00000 -0.86948 -0.41044
32 15D+1 0.00000 0.00000 -1.07701 0.00000 0.00000
33 15D-1 0.00000 -1.07701 0.00000 0.00000 0.00000
34 15D+2 0.00000 -0.92285 0.00000 0.00000 0.00000
35 15D-2 0.00000 0.00000 -0.92285 0.00000 0.00000
36 16D 0 0.00000 0.00000 0.00000 0.22308 0.02670
37 16D+1 0.00000 0.00000 0.03647 0.00000 0.00000
38 16D-1 0.00000 0.03647 0.00000 0.00000 0.00000
39 16D+2 0.00000 0.03254 0.00000 0.00000 0.00000
40 16D-2 0.00000 0.00000 0.03254 0.00000 0.00000
41 17D 0 0.00000 0.00000 0.00000 -0.00410 -0.02143
42 17D+1 0.00000 0.00000 -0.06945 0.00000 0.00000
43 17D-1 0.00000 -0.06945 0.00000 0.00000 0.00000
44 17D+2 0.00000 -0.05505 0.00000 0.00000 0.00000
45 17D-2 0.00000 0.00000 -0.05505 0.00000 0.00000
46 18F 0 0.00000 0.00000 0.00000 -1.03641 0.78880
47 18F+1 0.00000 0.00000 2.11887 0.00000 0.00000
48 18F-1 0.00000 2.11887 0.00000 0.00000 0.00000
49 18F+2 0.00000 1.80844 0.00000 0.00000 0.00000
50 18F-2 0.00000 0.00000 1.80844 0.00000 0.00000
51 18F+3 1.59111 0.00000 0.00000 0.00000 0.00000
52 18F-3 0.00000 0.00000 0.00000 0.52000 0.35231
53 19F 0 0.00000 0.00000 0.00000 1.02098 -1.08122
54 19F+1 0.00000 0.00000 -0.43607 0.00000 0.00000
55 19F-1 0.00000 -0.43607 0.00000 0.00000 0.00000
56 19F+2 0.00000 0.16994 0.00000 0.00000 0.00000
57 19F-2 0.00000 0.00000 0.16994 0.00000 0.00000
58 19F+3 0.05158 0.00000 0.00000 0.00000 0.00000
59 19F-3 0.00000 0.00000 0.00000 -1.05248 -1.12863
60 20F 0 0.00000 0.00000 0.00000 -0.05623 0.13797
61 20F+1 0.00000 0.00000 0.06198 0.00000 0.00000
62 20F-1 0.00000 0.06198 0.00000 0.00000 0.00000
63 20F+2 0.00000 -0.01232 0.00000 0.00000 0.00000
64 20F-2 0.00000 0.00000 -0.01232 0.00000 0.00000
65 20F+3 -0.01523 0.00000 0.00000 0.00000 0.00000
66 20F-3 0.00000 0.00000 0.00000 0.04501 0.16000
67 21G 0 0.00000 0.00000 0.00000 0.20603 -0.35538
68 21G+1 0.00000 0.00000 0.25973 0.00000 0.00000
69 21G-1 0.00000 0.25973 0.00000 0.00000 0.00000
70 21G+2 0.00000 -0.17112 0.00000 0.00000 0.00000
71 21G-2 0.00000 0.00000 -0.17112 0.00000 0.00000
72 21G+3 -0.36700 0.00000 0.00000 0.00000 0.00000
73 21G-3 0.00000 0.00000 0.00000 -0.10890 0.07402
74 21G+4 0.00000 0.23605 0.00000 0.00000 0.00000
75 21G-4 0.00000 0.00000 -0.23605 0.00000 0.00000
76 22G 0 0.00000 0.00000 0.00000 -0.00117 0.07273
77 22G+1 0.00000 0.00000 -0.01400 0.00000 0.00000
78 22G-1 0.00000 -0.01400 0.00000 0.00000 0.00000
79 22G+2 0.00000 0.01757 0.00000 0.00000 0.00000
80 22G-2 0.00000 0.00000 0.01757 0.00000 0.00000
81 22G+3 -0.01228 0.00000 0.00000 0.00000 0.00000
82 22G-3 0.00000 0.00000 0.00000 0.07990 0.01211
83 22G+4 0.00000 -0.01258 0.00000 0.00000 0.00000
84 22G-4 0.00000 0.00000 0.01258 0.00000 0.00000
85 23H 0 0.00000 0.00000 0.00000 -0.07267 -0.01193
86 23H+1 0.00000 0.00000 -0.03947 0.00000 0.00000
87 23H-1 0.00000 -0.03947 0.00000 0.00000 0.00000
88 23H+2 0.00000 -0.03100 0.00000 0.00000 0.00000
89 23H-2 0.00000 0.00000 -0.03100 0.00000 0.00000
90 23H+3 0.03195 0.00000 0.00000 0.00000 0.00000
91 23H-3 0.00000 0.00000 0.00000 0.06161 -0.00992
92 23H+4 0.00000 -0.03195 0.00000 0.00000 0.00000
93 23H-4 0.00000 0.00000 0.03195 0.00000 0.00000
94 23H+5 0.00000 0.00000 -0.02937 0.00000 0.00000
95 23H-5 0.00000 0.02937 0.00000 0.00000 0.00000
96 2 H 1S 0.00000 -0.03764 0.00000 -0.01074 0.00252
97 2S 0.00000 0.20830 0.00000 0.13239 -0.02023
98 3S 0.00000 -2.89762 0.00000 -0.14837 -0.25014
99 4S 0.00000 -11.44476 0.00000 0.33719 -0.58157
100 5S 0.00000 0.26379 0.00000 0.10779 -0.02340
101 6PX 0.00403 0.00000 0.00437 0.00000 0.00000
102 6PY 0.00000 0.01123 0.00000 0.00649 0.00224
103 6PZ 0.00000 0.00974 0.00000 0.02065 -0.00044
104 7PX -0.02690 0.00000 -0.01850 0.00000 0.00000
105 7PY 0.00000 -0.07203 0.00000 -0.04034 -0.00919
106 7PZ 0.00000 -0.02327 0.00000 -0.06405 0.00314
107 8PX 0.11289 0.00000 0.12401 0.00000 0.00000
108 8PY 0.00000 0.56078 0.00000 0.16572 0.17311
109 8PZ 0.00000 -0.05080 0.00000 0.45227 -0.05322
110 9PX 0.98158 0.00000 -0.64522 0.00000 0.00000
111 9PY 0.00000 3.63565 0.00000 0.23705 0.03072
112 9PZ 0.00000 -1.57063 0.00000 -1.29494 -0.20233
113 10D 0 0.00000 0.02040 0.00000 -0.01560 -0.01462
114 10D+1 0.04883 0.00000 0.04922 0.00000 0.00000
115 10D-1 0.00000 -0.00325 0.00000 0.00240 -0.00047
116 10D+2 0.00000 0.00000 0.00000 0.01135 0.00030
117 10D-2 0.00824 0.00000 0.02000 0.00000 0.00000
118 11D 0 0.00000 -0.09564 0.00000 0.08876 0.07366
119 11D+1 -0.23158 0.00000 -0.22943 0.00000 0.00000
120 11D-1 0.00000 0.02933 0.00000 -0.03688 0.00399
121 11D+2 0.00000 0.00975 0.00000 -0.05577 0.00592
122 11D-2 -0.02942 0.00000 -0.09877 0.00000 0.00000
123 12D 0 0.00000 0.35619 0.00000 -0.63693 -0.27737
124 12D+1 1.07958 0.00000 0.88933 0.00000 0.00000
125 12D-1 0.00000 0.24044 0.00000 0.60961 0.08256
126 12D+2 0.00000 0.16751 0.00000 0.28666 -0.07266
127 12D-2 -0.10353 0.00000 0.44471 0.00000 0.00000
128 13F 0 0.00000 0.00545 0.00000 -0.00215 -0.00428
129 13F+1 0.00030 0.00000 0.00101 0.00000 0.00000
130 13F-1 0.00000 -0.00356 0.00000 -0.01646 -0.00131
131 13F+2 0.00000 0.00393 0.00000 -0.00672 0.00060
132 13F-2 0.00096 0.00000 -0.00112 0.00000 0.00000
133 13F+3 0.00482 0.00000 -0.00370 0.00000 0.00000
134 13F-3 0.00000 -0.00577 0.00000 0.00094 -0.00387
135 14F 0 0.00000 -0.02078 0.00000 0.01400 0.01932
136 14F+1 0.00137 0.00000 -0.00727 0.00000 0.00000
137 14F-1 0.00000 0.04354 0.00000 0.14441 0.01537
138 14F+2 0.00000 0.00308 0.00000 0.06587 -0.00141
139 14F-2 -0.02303 0.00000 0.00953 0.00000 0.00000
140 14F+3 -0.04183 0.00000 0.02175 0.00000 0.00000
141 14F-3 0.00000 0.02732 0.00000 -0.00337 0.02100
142 15G 0 0.00000 0.00122 0.00000 0.00448 -0.00127
143 15G+1 -0.00029 0.00000 -0.00018 0.00000 0.00000
144 15G-1 0.00000 0.00104 0.00000 0.00328 0.00398
145 15G+2 0.00000 0.00199 0.00000 0.00678 0.00122
146 15G-2 -0.00116 0.00000 -0.00075 0.00000 0.00000
147 15G+3 -0.00157 0.00000 -0.00059 0.00000 0.00000
148 15G-3 0.00000 -0.00037 0.00000 -0.00195 -0.00095
149 15G+4 0.00000 0.00133 0.00000 0.00039 -0.00119
150 15G-4 0.00130 0.00000 -0.00005 0.00000 0.00000
151 3 H 1S 0.00000 0.01882 -0.03259 -0.01074 0.00252
152 2S 0.00000 -0.10415 0.18040 0.13239 -0.02023
153 3S 0.00000 1.44881 -2.50941 -0.14837 -0.25014
154 4S 0.00000 5.72238 -9.91145 0.33719 -0.58157
155 5S 0.00000 -0.13190 0.22845 0.10779 -0.02340
156 6PX -0.00202 -0.00297 0.00951 0.00562 0.00194
157 6PY -0.00349 0.00608 -0.00297 -0.00325 -0.00112
158 6PZ 0.00000 -0.00487 0.00843 0.02065 -0.00044
159 7PX 0.01345 0.02318 -0.05865 -0.03493 -0.00796
160 7PY 0.02330 -0.03189 0.02318 0.02017 0.00460
161 7PZ 0.00000 0.01163 -0.02015 -0.06405 0.00314
162 8PX -0.05645 -0.18912 0.45159 0.14351 0.14992
163 8PY -0.09777 0.23320 -0.18912 -0.08286 -0.08656
164 8PZ 0.00000 0.02540 -0.04399 0.45227 -0.05322
165 9PX -0.49079 -1.85367 2.56543 0.20529 0.02660
166 9PY -0.85008 0.42500 -1.85367 -0.11853 -0.01536
167 9PZ 0.00000 0.78531 -1.36020 -1.29494 -0.20233
168 10D 0 0.00000 -0.01020 0.01767 -0.01560 -0.01462
169 10D+1 -0.02441 0.02272 0.00986 0.00207 -0.00040
170 10D-1 -0.04229 0.03610 0.02272 -0.00120 0.00023
171 10D+2 -0.00714 0.01500 0.00866 -0.00567 -0.00015
172 10D-2 -0.00412 0.00866 0.00500 0.00983 0.00026
173 11D 0 0.00000 0.04782 -0.08282 0.08876 0.07366
174 11D+1 0.11579 -0.11205 -0.03536 -0.03194 0.00345
175 11D-1 0.20055 -0.16474 -0.11205 0.01844 -0.00199
176 11D+2 0.02548 -0.07164 -0.04699 0.02789 -0.00296
177 11D-2 0.01471 -0.04699 -0.01738 -0.04830 0.00512
178 12D 0 0.00000 -0.17810 0.30847 -0.63693 -0.27737
179 12D+1 -0.53979 0.28098 0.40266 0.52794 0.07150
180 12D-1 -0.93494 0.72711 0.28098 -0.30481 -0.04128
181 12D+2 0.08966 0.37541 0.12003 -0.14333 0.03633
182 12D-2 0.05177 0.12003 0.23681 0.24826 -0.06292
183 13F 0 0.00000 -0.00272 0.00472 -0.00215 -0.00428
184 13F+1 -0.00015 0.00198 -0.00242 -0.01425 -0.00113
185 13F-1 -0.00026 -0.00013 0.00198 0.00823 0.00066
186 13F+2 -0.00083 0.00014 -0.00219 0.00336 -0.00030
187 13F-2 -0.00048 -0.00219 0.00267 -0.00582 0.00052
188 13F+3 0.00482 0.00321 0.00185 0.00000 0.00000
189 13F-3 0.00000 0.00288 -0.00499 0.00094 -0.00387
190 14F 0 0.00000 0.01039 -0.01800 0.01400 0.01932
191 14F+1 -0.00068 -0.02200 0.03084 0.12507 0.01331
192 14F-1 -0.00119 0.00543 -0.02200 -0.07221 -0.00769
193 14F+2 0.01994 0.00792 0.00280 -0.03293 0.00071
194 14F-2 0.01151 0.00280 0.00469 0.05704 -0.00122
195 14F+3 -0.04183 -0.01884 -0.01088 0.00000 0.00000
196 14F-3 0.00000 -0.01366 0.02366 -0.00337 0.02100
197 15G 0 0.00000 -0.00061 0.00106 0.00448 -0.00127
198 15G+1 0.00015 -0.00053 0.00074 0.00284 0.00345
199 15G-1 0.00025 0.00013 -0.00053 -0.00164 -0.00199
200 15G+2 0.00100 -0.00007 -0.00119 -0.00339 -0.00061
201 15G-2 0.00058 -0.00119 0.00130 0.00588 0.00106
202 15G+3 -0.00157 0.00051 0.00029 0.00000 0.00000
203 15G-3 0.00000 0.00019 -0.00032 -0.00195 -0.00095
204 15G+4 0.00113 0.00037 -0.00056 -0.00020 0.00059
205 15G-4 -0.00065 0.00056 -0.00101 -0.00034 0.00103
206 4 H 1S 0.00000 0.01882 0.03259 -0.01074 0.00252
207 2S 0.00000 -0.10415 -0.18040 0.13239 -0.02023
208 3S 0.00000 1.44881 2.50941 -0.14837 -0.25014
209 4S 0.00000 5.72238 9.91145 0.33719 -0.58157
210 5S 0.00000 -0.13190 -0.22845 0.10779 -0.02340
211 6PX -0.00202 0.00297 0.00951 -0.00562 -0.00194
212 6PY 0.00349 0.00608 0.00297 -0.00325 -0.00112
213 6PZ 0.00000 -0.00487 -0.00843 0.02065 -0.00044
214 7PX 0.01345 -0.02318 -0.05865 0.03493 0.00796
215 7PY -0.02330 -0.03189 -0.02318 0.02017 0.00460
216 7PZ 0.00000 0.01163 0.02015 -0.06405 0.00314
217 8PX -0.05645 0.18912 0.45159 -0.14351 -0.14992
218 8PY 0.09777 0.23320 0.18912 -0.08286 -0.08656
219 8PZ 0.00000 0.02540 0.04399 0.45227 -0.05322
220 9PX -0.49079 1.85367 2.56543 -0.20529 -0.02660
221 9PY 0.85008 0.42500 1.85367 -0.11853 -0.01536
222 9PZ 0.00000 0.78531 1.36020 -1.29494 -0.20233
223 10D 0 0.00000 -0.01020 -0.01767 -0.01560 -0.01462
224 10D+1 -0.02441 -0.02272 0.00986 -0.00207 0.00040
225 10D-1 0.04229 0.03610 -0.02272 -0.00120 0.00023
226 10D+2 0.00714 0.01500 -0.00866 -0.00567 -0.00015
227 10D-2 -0.00412 -0.00866 0.00500 -0.00983 -0.00026
228 11D 0 0.00000 0.04782 0.08282 0.08876 0.07366
229 11D+1 0.11579 0.11205 -0.03536 0.03194 -0.00345
230 11D-1 -0.20055 -0.16474 0.11205 0.01844 -0.00199
231 11D+2 -0.02548 -0.07164 0.04699 0.02789 -0.00296
232 11D-2 0.01471 0.04699 -0.01738 0.04830 -0.00512
233 12D 0 0.00000 -0.17810 -0.30847 -0.63693 -0.27737
234 12D+1 -0.53979 -0.28098 0.40266 -0.52794 -0.07150
235 12D-1 0.93494 0.72711 -0.28098 -0.30481 -0.04128
236 12D+2 -0.08966 0.37541 -0.12003 -0.14333 0.03633
237 12D-2 0.05177 -0.12003 0.23681 -0.24826 0.06292
238 13F 0 0.00000 -0.00272 -0.00472 -0.00215 -0.00428
239 13F+1 -0.00015 -0.00198 -0.00242 0.01425 0.00113
240 13F-1 0.00026 -0.00013 -0.00198 0.00823 0.00066
241 13F+2 0.00083 0.00014 0.00219 0.00336 -0.00030
242 13F-2 -0.00048 0.00219 0.00267 0.00582 -0.00052
243 13F+3 0.00482 -0.00321 0.00185 0.00000 0.00000
244 13F-3 0.00000 0.00288 0.00499 0.00094 -0.00387
245 14F 0 0.00000 0.01039 0.01800 0.01400 0.01932
246 14F+1 -0.00068 0.02200 0.03084 -0.12507 -0.01331
247 14F-1 0.00119 0.00543 0.02200 -0.07221 -0.00769
248 14F+2 -0.01994 0.00792 -0.00280 -0.03293 0.00071
249 14F-2 0.01151 -0.00280 0.00469 -0.05704 0.00122
250 14F+3 -0.04183 0.01884 -0.01088 0.00000 0.00000
251 14F-3 0.00000 -0.01366 -0.02366 -0.00337 0.02100
252 15G 0 0.00000 -0.00061 -0.00106 0.00448 -0.00127
253 15G+1 0.00015 0.00053 0.00074 -0.00284 -0.00345
254 15G-1 -0.00025 0.00013 0.00053 -0.00164 -0.00199
255 15G+2 -0.00100 -0.00007 0.00119 -0.00339 -0.00061
256 15G-2 0.00058 0.00119 0.00130 -0.00588 -0.00106
257 15G+3 -0.00157 -0.00051 0.00029 0.00000 0.00000
258 15G-3 0.00000 0.00019 0.00032 -0.00195 -0.00095
259 15G+4 -0.00113 0.00037 0.00056 -0.00020 0.00059
260 15G-4 -0.00065 -0.00056 -0.00101 0.00034 -0.00103
66 67 68 69 70
(A2)--V (E)--V (E)--V (A1)--V (E)--V
Eigenvalues -- 2.09961 2.10141 2.10141 2.15330 2.18737
1 1 P 1S 0.00000 0.00000 0.00000 0.01841 0.00000
2 2S 0.00000 0.00000 0.00000 -0.01764 0.00000
3 3S 0.00000 0.00000 0.00000 0.16295 0.00000
4 4S 0.00000 0.00000 0.00000 0.45429 0.00000
5 5S 0.00000 0.00000 0.00000 -1.53837 0.00000
6 6S 0.00000 0.00000 0.00000 -1.49575 0.00000
7 7S 0.00000 0.00000 0.00000 -3.72974 0.00000
8 8PX 0.00000 0.00000 -0.03948 0.00000 -0.01219
9 8PY 0.00000 -0.03948 0.00000 0.00000 0.00000
10 8PZ 0.00000 0.00000 0.00000 0.04215 0.00000
11 9PX 0.00000 0.00000 -0.05269 0.00000 0.01737
12 9PY 0.00000 -0.05269 0.00000 0.00000 0.00000
13 9PZ 0.00000 0.00000 0.00000 -0.06376 0.00000
14 10PX 0.00000 0.00000 -0.37288 0.00000 0.06330
15 10PY 0.00000 -0.37288 0.00000 0.00000 0.00000
16 10PZ 0.00000 0.00000 0.00000 -0.16826 0.00000
17 11PX 0.00000 0.00000 0.96289 0.00000 -0.36747
18 11PY 0.00000 0.96289 0.00000 0.00000 0.00000
19 11PZ 0.00000 0.00000 0.00000 0.49385 0.00000
20 12PX 0.00000 0.00000 6.42051 0.00000 -2.59196
21 12PY 0.00000 6.42051 0.00000 0.00000 0.00000
22 12PZ 0.00000 0.00000 0.00000 3.88317 0.00000
23 13PX 0.00000 0.00000 0.49537 0.00000 -0.31029
24 13PY 0.00000 0.49537 0.00000 0.00000 0.00000
25 13PZ 0.00000 0.00000 0.00000 1.10722 0.00000
26 14D 0 0.00000 0.00000 0.00000 -2.56657 0.00000
27 14D+1 0.00000 0.00000 -1.51862 0.00000 2.09292
28 14D-1 0.00000 -1.51862 0.00000 0.00000 0.00000
29 14D+2 0.00000 -1.19837 0.00000 0.00000 0.00000
30 14D-2 0.00000 0.00000 -1.19837 0.00000 -2.37676
31 15D 0 0.00000 0.00000 0.00000 -1.22138 0.00000
32 15D+1 0.00000 0.00000 -0.62106 0.00000 0.80796
33 15D-1 0.00000 -0.62106 0.00000 0.00000 0.00000
34 15D+2 0.00000 -0.66011 0.00000 0.00000 0.00000
35 15D-2 0.00000 0.00000 -0.66011 0.00000 -1.39757
36 16D 0 0.00000 0.00000 0.00000 0.25114 0.00000
37 16D+1 0.00000 0.00000 0.03278 0.00000 -0.00396
38 16D-1 0.00000 0.03278 0.00000 0.00000 0.00000
39 16D+2 0.00000 0.00921 0.00000 0.00000 0.00000
40 16D-2 0.00000 0.00000 0.00921 0.00000 0.12855
41 17D 0 0.00000 0.00000 0.00000 -0.04503 0.00000
42 17D+1 0.00000 0.00000 0.00159 0.00000 0.02134
43 17D-1 0.00000 0.00159 0.00000 0.00000 0.00000
44 17D+2 0.00000 -0.01396 0.00000 0.00000 0.00000
45 17D-2 0.00000 0.00000 -0.01396 0.00000 -0.08794
46 18F 0 0.00000 0.00000 0.00000 0.97115 0.00000
47 18F+1 0.00000 0.00000 -1.28167 0.00000 -1.35007
48 18F-1 0.00000 -1.28167 0.00000 0.00000 0.00000
49 18F+2 0.00000 -0.57702 0.00000 0.00000 0.00000
50 18F-2 0.00000 0.00000 -0.57702 0.00000 1.63423
51 18F+3 1.90710 0.00000 0.00000 0.00000 0.00000
52 18F-3 0.00000 0.00000 0.00000 -1.54450 0.00000
53 19F 0 0.00000 0.00000 0.00000 0.36983 0.00000
54 19F+1 0.00000 0.00000 0.10026 0.00000 -0.07003
55 19F-1 0.00000 0.10026 0.00000 0.00000 0.00000
56 19F+2 0.00000 0.57602 0.00000 0.00000 0.00000
57 19F-2 0.00000 0.00000 0.57602 0.00000 0.25900
58 19F+3 0.17302 0.00000 0.00000 0.00000 0.00000
59 19F-3 0.00000 0.00000 0.00000 -0.15965 0.00000
60 20F 0 0.00000 0.00000 0.00000 -0.12139 0.00000
61 20F+1 0.00000 0.00000 0.02889 0.00000 0.01282
62 20F-1 0.00000 0.02889 0.00000 0.00000 0.00000
63 20F+2 0.00000 -0.00717 0.00000 0.00000 0.00000
64 20F-2 0.00000 0.00000 -0.00717 0.00000 -0.08722
65 20F+3 -0.06508 0.00000 0.00000 0.00000 0.00000
66 20F-3 0.00000 0.00000 0.00000 0.11529 0.00000
67 21G 0 0.00000 0.00000 0.00000 0.13272 0.00000
68 21G+1 0.00000 0.00000 0.86757 0.00000 0.13698
69 21G-1 0.00000 0.86757 0.00000 0.00000 0.00000
70 21G+2 0.00000 0.89482 0.00000 0.00000 0.00000
71 21G-2 0.00000 0.00000 0.89482 0.00000 -0.41119
72 21G+3 -1.75207 0.00000 0.00000 0.00000 0.00000
73 21G-3 0.00000 0.00000 0.00000 1.24176 0.00000
74 21G+4 0.00000 0.84592 0.00000 0.00000 0.00000
75 21G-4 0.00000 0.00000 -0.84592 0.00000 -0.43460
76 22G 0 0.00000 0.00000 0.00000 0.01764 0.00000
77 22G+1 0.00000 0.00000 -0.02145 0.00000 0.02245
78 22G-1 0.00000 -0.02145 0.00000 0.00000 0.00000
79 22G+2 0.00000 -0.07408 0.00000 0.00000 0.00000
80 22G-2 0.00000 0.00000 -0.07408 0.00000 0.05207
81 22G+3 0.10398 0.00000 0.00000 0.00000 0.00000
82 22G-3 0.00000 0.00000 0.00000 -0.13928 0.00000
83 22G+4 0.00000 -0.02412 0.00000 0.00000 0.00000
84 22G-4 0.00000 0.00000 0.02412 0.00000 0.09529
85 23H 0 0.00000 0.00000 0.00000 -0.09373 0.00000
86 23H+1 0.00000 0.00000 -0.03454 0.00000 -0.00860
87 23H-1 0.00000 -0.03454 0.00000 0.00000 0.00000
88 23H+2 0.00000 -0.12973 0.00000 0.00000 0.00000
89 23H-2 0.00000 0.00000 -0.12973 0.00000 -0.02304
90 23H+3 0.17301 0.00000 0.00000 0.00000 0.00000
91 23H-3 0.00000 0.00000 0.00000 -0.03071 0.00000
92 23H+4 0.00000 -0.13777 0.00000 0.00000 0.00000
93 23H-4 0.00000 0.00000 0.13777 0.00000 -0.00983
94 23H+5 0.00000 0.00000 -0.01350 0.00000 -0.07319
95 23H-5 0.00000 0.01350 0.00000 0.00000 0.00000
96 2 H 1S 0.00000 -0.01999 0.00000 0.01254 0.00000
97 2S 0.00000 0.31084 0.00000 -0.10875 0.00000
98 3S 0.00000 -1.42226 0.00000 -1.42503 0.00000
99 4S 0.00000 -4.23397 0.00000 2.66678 0.00000
100 5S 0.00000 -0.35905 0.00000 0.53354 0.00000
101 6PX 0.00569 0.00000 0.00575 0.00000 0.00160
102 6PY 0.00000 -0.01014 0.00000 0.01666 0.00000
103 6PZ 0.00000 0.00435 0.00000 0.00542 0.00000
104 7PX -0.05513 0.00000 -0.00818 0.00000 -0.01900
105 7PY 0.00000 0.02532 0.00000 -0.06056 0.00000
106 7PZ 0.00000 0.02919 0.00000 -0.01402 0.00000
107 8PX 0.37372 0.00000 -0.00475 0.00000 -0.10037
108 8PY 0.00000 -0.02747 0.00000 0.89203 0.00000
109 8PZ 0.00000 -0.29208 0.00000 -0.18480 0.00000
110 9PX 1.83996 0.00000 -1.36422 0.00000 2.87883
111 9PY 0.00000 0.80261 0.00000 -2.69277 0.00000
112 9PZ 0.00000 -3.16595 0.00000 -0.91184 0.00000
113 10D 0 0.00000 -0.02051 0.00000 -0.01403 0.00000
114 10D+1 -0.00414 0.00000 0.00063 0.00000 0.02645
115 10D-1 0.00000 0.00219 0.00000 0.00051 0.00000
116 10D+2 0.00000 -0.01299 0.00000 -0.01549 0.00000
117 10D-2 -0.02003 0.00000 0.01108 0.00000 -0.03845
118 11D 0 0.00000 0.11126 0.00000 0.09008 0.00000
119 11D+1 0.00930 0.00000 0.00468 0.00000 -0.13350
120 11D-1 0.00000 -0.00903 0.00000 0.01895 0.00000
121 11D+2 0.00000 0.07601 0.00000 0.10939 0.00000
122 11D-2 0.10378 0.00000 -0.05828 0.00000 0.22458
123 12D 0 0.00000 -1.19591 0.00000 -0.81749 0.00000
124 12D+1 0.51868 0.00000 -0.35396 0.00000 0.65187
125 12D-1 0.00000 0.95349 0.00000 0.09927 0.00000
126 12D+2 0.00000 -0.36695 0.00000 -0.68878 0.00000
127 12D-2 -1.20147 0.00000 0.69267 0.00000 -1.51028
128 13F 0 0.00000 0.00643 0.00000 0.00842 0.00000
129 13F+1 -0.00551 0.00000 0.00068 0.00000 0.00514
130 13F-1 0.00000 -0.01225 0.00000 -0.01045 0.00000
131 13F+2 0.00000 -0.00211 0.00000 0.00566 0.00000
132 13F-2 0.01449 0.00000 -0.01174 0.00000 -0.00232
133 13F+3 0.00521 0.00000 -0.00152 0.00000 0.02067
134 13F-3 0.00000 -0.00911 0.00000 -0.00726 0.00000
135 14F 0 0.00000 -0.03380 0.00000 -0.06636 0.00000
136 14F+1 0.03326 0.00000 -0.00701 0.00000 -0.04082
137 14F-1 0.00000 0.16216 0.00000 0.09822 0.00000
138 14F+2 0.00000 0.06816 0.00000 -0.03947 0.00000
139 14F-2 -0.13874 0.00000 0.10270 0.00000 -0.00928
140 14F+3 -0.08828 0.00000 0.04532 0.00000 -0.16535
141 14F-3 0.00000 0.05488 0.00000 0.05704 0.00000
142 15G 0 0.00000 0.00295 0.00000 0.00179 0.00000
143 15G+1 -0.00386 0.00000 0.00169 0.00000 -0.00161
144 15G-1 0.00000 0.00284 0.00000 0.00531 0.00000
145 15G+2 0.00000 0.00725 0.00000 0.00170 0.00000
146 15G-2 0.00188 0.00000 -0.00053 0.00000 0.00018
147 15G+3 -0.00379 0.00000 0.00427 0.00000 -0.00613
148 15G-3 0.00000 -0.00448 0.00000 0.00330 0.00000
149 15G+4 0.00000 0.00110 0.00000 0.00226 0.00000
150 15G-4 0.00439 0.00000 -0.00288 0.00000 0.00620
151 3 H 1S 0.00000 0.00999 -0.01731 0.01254 0.00908
152 2S 0.00000 -0.15542 0.26920 -0.10875 -0.02562
153 3S 0.00000 0.71113 -1.23171 -1.42503 -0.92619
154 4S 0.00000 2.11698 -3.66673 2.66678 2.03495
155 5S 0.00000 0.17952 -0.31094 0.53354 0.10686
156 6PX -0.00285 0.00688 -0.00616 0.01443 0.00249
157 6PY -0.00493 0.00178 0.00688 -0.00833 -0.00052
158 6PZ 0.00000 -0.00217 0.00376 0.00542 -0.00547
159 7PX 0.02756 -0.01451 0.01694 -0.05245 -0.01402
160 7PY 0.04774 0.00019 -0.01451 0.03028 -0.00288
161 7PZ 0.00000 -0.01460 0.02528 -0.01402 0.03005
162 8PX -0.18686 0.00984 -0.02179 0.77252 0.36680
163 8PY -0.32365 -0.01043 0.00984 -0.44602 -0.26972
164 8PZ 0.00000 0.14604 -0.25295 -0.18480 -0.29067
165 9PX -0.91998 -0.93827 0.26091 -2.33201 -0.98456
166 9PY -1.59345 -0.82251 -0.93827 1.34639 2.23053
167 9PZ 0.00000 1.58297 -2.74179 -0.91184 -0.50635
168 10D 0 0.00000 0.01025 -0.01776 -0.01403 -0.03390
169 10D+1 0.00207 -0.00067 0.00180 0.00044 0.00017
170 10D-1 0.00359 0.00102 -0.00067 -0.00025 0.01517
171 10D+2 0.01734 0.00506 0.01042 0.00774 -0.01286
172 10D-2 0.01001 0.01042 -0.00697 -0.01341 -0.01618
173 11D 0 0.00000 -0.05563 0.09635 0.09008 0.18137
174 11D+1 -0.00465 0.00594 -0.00560 0.01641 0.00965
175 11D-1 -0.00805 0.00125 0.00594 -0.00947 -0.08265
176 11D+2 -0.08988 -0.02470 -0.05815 -0.05469 0.06827
177 11D-2 -0.05189 -0.05815 0.04244 0.09473 0.10633
178 12D 0 0.00000 0.59796 -1.03569 -0.81749 -0.99853
179 12D+1 -0.25934 -0.56614 0.62662 0.08597 0.07037
180 12D-1 -0.44919 -0.02710 -0.56614 -0.04963 0.33573
181 12D+2 1.04051 0.42777 0.45883 0.34439 -0.49762
182 12D-2 0.60074 0.45883 -0.10204 -0.59650 -0.64838
183 13F 0 0.00000 -0.00321 0.00557 0.00842 0.00127
184 13F+1 0.00275 0.00560 -0.00902 -0.00905 -0.00468
185 13F-1 0.00477 -0.00255 0.00560 0.00523 0.00567
186 13F+2 -0.01255 -0.00933 -0.00417 -0.00283 -0.00384
187 13F-2 -0.00724 -0.00417 -0.00452 0.00491 0.00434
188 13F+3 0.00521 0.00132 0.00076 0.00000 -0.01033
189 13F-3 0.00000 0.00455 -0.00789 -0.00726 0.00034
190 14F 0 0.00000 0.01690 -0.02927 -0.06636 -0.01654
191 14F+1 -0.01663 -0.07326 0.11987 0.08506 0.04314
192 14F-1 -0.02881 0.03528 -0.07326 -0.04911 -0.04847
193 14F+2 0.12016 0.09406 0.01495 0.01974 0.01070
194 14F-2 0.06937 0.01495 0.07680 -0.03419 -0.02782
195 14F+3 -0.08828 -0.03925 -0.02266 0.00000 0.08268
196 14F-3 0.00000 -0.02744 0.04753 0.05704 0.00041
197 15G 0 0.00000 -0.00147 0.00255 0.00179 0.00041
198 15G+1 0.00193 -0.00050 0.00255 0.00460 0.00344
199 15G-1 0.00334 0.00198 -0.00050 -0.00266 -0.00291
200 15G+2 -0.00163 0.00142 -0.00337 -0.00085 -0.00090
201 15G-2 -0.00094 -0.00337 0.00530 0.00147 0.00174
202 15G+3 -0.00379 -0.00370 -0.00214 0.00000 0.00306
203 15G-3 0.00000 0.00224 -0.00388 0.00330 0.00111
204 15G+4 0.00380 0.00243 0.00077 -0.00113 -0.00245
205 15G-4 -0.00219 -0.00077 -0.00154 -0.00196 0.00196
206 4 H 1S 0.00000 0.00999 0.01731 0.01254 -0.00908
207 2S 0.00000 -0.15542 -0.26920 -0.10875 0.02562
208 3S 0.00000 0.71113 1.23171 -1.42503 0.92619
209 4S 0.00000 2.11698 3.66673 2.66678 -2.03495
210 5S 0.00000 0.17952 0.31094 0.53354 -0.10686
211 6PX -0.00285 -0.00688 -0.00616 -0.01443 0.00249
212 6PY 0.00493 0.00178 -0.00688 -0.00833 0.00052
213 6PZ 0.00000 -0.00217 -0.00376 0.00542 0.00547
214 7PX 0.02756 0.01451 0.01694 0.05245 -0.01402
215 7PY -0.04774 0.00019 0.01451 0.03028 0.00288
216 7PZ 0.00000 -0.01460 -0.02528 -0.01402 -0.03005
217 8PX -0.18686 -0.00984 -0.02179 -0.77252 0.36680
218 8PY 0.32365 -0.01043 -0.00984 -0.44602 0.26972
219 8PZ 0.00000 0.14604 0.25295 -0.18480 0.29067
220 9PX -0.91998 0.93827 0.26091 2.33201 -0.98456
221 9PY 1.59345 -0.82251 0.93827 1.34639 -2.23053
222 9PZ 0.00000 1.58297 2.74179 -0.91184 0.50635
223 10D 0 0.00000 0.01025 0.01776 -0.01403 0.03390
224 10D+1 0.00207 0.00067 0.00180 -0.00044 0.00017
225 10D-1 -0.00359 0.00102 0.00067 -0.00025 -0.01517
226 10D+2 -0.01734 0.00506 -0.01042 0.00774 0.01286
227 10D-2 0.01001 -0.01042 -0.00697 0.01341 -0.01618
228 11D 0 0.00000 -0.05563 -0.09635 0.09008 -0.18137
229 11D+1 -0.00465 -0.00594 -0.00560 -0.01641 0.00965
230 11D-1 0.00805 0.00125 -0.00594 -0.00947 0.08265
231 11D+2 0.08988 -0.02470 0.05815 -0.05469 -0.06827
232 11D-2 -0.05189 0.05815 0.04244 -0.09473 0.10633
233 12D 0 0.00000 0.59796 1.03569 -0.81749 0.99853
234 12D+1 -0.25934 0.56614 0.62662 -0.08597 0.07037
235 12D-1 0.44919 -0.02710 0.56614 -0.04963 -0.33573
236 12D+2 -1.04051 0.42777 -0.45883 0.34439 0.49762
237 12D-2 0.60074 -0.45883 -0.10204 0.59650 -0.64838
238 13F 0 0.00000 -0.00321 -0.00557 0.00842 -0.00127
239 13F+1 0.00275 -0.00560 -0.00902 0.00905 -0.00468
240 13F-1 -0.00477 -0.00255 -0.00560 0.00523 -0.00567
241 13F+2 0.01255 -0.00933 0.00417 -0.00283 0.00384
242 13F-2 -0.00724 0.00417 -0.00452 -0.00491 0.00434
243 13F+3 0.00521 -0.00132 0.00076 0.00000 -0.01033
244 13F-3 0.00000 0.00455 0.00789 -0.00726 -0.00034
245 14F 0 0.00000 0.01690 0.02927 -0.06636 0.01654
246 14F+1 -0.01663 0.07326 0.11987 -0.08506 0.04314
247 14F-1 0.02881 0.03528 0.07326 -0.04911 0.04847
248 14F+2 -0.12016 0.09406 -0.01495 0.01974 -0.01070
249 14F-2 0.06937 -0.01495 0.07680 0.03419 -0.02782
250 14F+3 -0.08828 0.03925 -0.02266 0.00000 0.08268
251 14F-3 0.00000 -0.02744 -0.04753 0.05704 -0.00041
252 15G 0 0.00000 -0.00147 -0.00255 0.00179 -0.00041
253 15G+1 0.00193 0.00050 0.00255 -0.00460 0.00344
254 15G-1 -0.00334 0.00198 0.00050 -0.00266 0.00291
255 15G+2 0.00163 0.00142 0.00337 -0.00085 0.00090
256 15G-2 -0.00094 0.00337 0.00530 -0.00147 0.00174
257 15G+3 -0.00379 0.00370 -0.00214 0.00000 0.00306
258 15G-3 0.00000 0.00224 0.00388 0.00330 -0.00111
259 15G+4 -0.00380 0.00243 -0.00077 -0.00113 0.00245
260 15G-4 -0.00219 0.00077 -0.00154 0.00196 0.00196
71 72 73 74 75
(E)--V (E)--V (E)--V (E)--V (E)--V
Eigenvalues -- 2.18737 2.23502 2.23502 2.24239 2.24239
1 1 P 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 0.00000 -0.00840 0.00000 -0.04696
9 8PY 0.01219 -0.00840 0.00000 -0.04696 0.00000
10 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
11 9PX 0.00000 0.00000 0.07336 0.00000 0.07911
12 9PY -0.01737 0.07336 0.00000 0.07911 0.00000
13 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
14 10PX 0.00000 0.00000 0.34457 0.00000 0.34647
15 10PY -0.06330 0.34457 0.00000 0.34647 0.00000
16 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000
17 11PX 0.00000 0.00000 -1.45126 0.00000 -2.55713
18 11PY 0.36747 -1.45126 0.00000 -2.55713 0.00000
19 11PZ 0.00000 0.00000 0.00000 0.00000 0.00000
20 12PX 0.00000 0.00000 -3.01000 0.00000 -2.30070
21 12PY 2.59196 -3.01000 0.00000 -2.30070 0.00000
22 12PZ 0.00000 0.00000 0.00000 0.00000 0.00000
23 13PX 0.00000 0.00000 -0.31007 0.00000 -0.16178
24 13PY 0.31029 -0.31007 0.00000 -0.16178 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 0.00000 0.00000 1.47100 0.00000 -0.38052
28 14D-1 -2.09292 1.47100 0.00000 -0.38052 0.00000
29 14D+2 2.37676 -0.47369 0.00000 1.37138 0.00000
30 14D-2 0.00000 0.00000 -0.47369 0.00000 1.37138
31 15D 0 0.00000 0.00000 0.00000 0.00000 0.00000
32 15D+1 0.00000 0.00000 1.21099 0.00000 0.38218
33 15D-1 -0.80796 1.21099 0.00000 0.38218 0.00000
34 15D+2 1.39757 0.41227 0.00000 1.18628 0.00000
35 15D-2 0.00000 0.00000 0.41227 0.00000 1.18628
36 16D 0 0.00000 0.00000 0.00000 0.00000 0.00000
37 16D+1 0.00000 0.00000 -0.12641 0.00000 0.06837
38 16D-1 0.00396 -0.12641 0.00000 0.06837 0.00000
39 16D+2 -0.12855 0.06542 0.00000 -0.03374 0.00000
40 16D-2 0.00000 0.00000 0.06542 0.00000 -0.03374
41 17D 0 0.00000 0.00000 0.00000 0.00000 0.00000
42 17D+1 0.00000 0.00000 -0.01284 0.00000 -0.10585
43 17D-1 -0.02134 -0.01284 0.00000 -0.10585 0.00000
44 17D+2 0.08794 -0.02219 0.00000 -0.03897 0.00000
45 17D-2 0.00000 0.00000 -0.02219 0.00000 -0.03897
46 18F 0 0.00000 0.00000 0.00000 0.00000 0.00000
47 18F+1 0.00000 0.00000 -0.96951 0.00000 0.67518
48 18F-1 1.35007 -0.96951 0.00000 0.67518 0.00000
49 18F+2 -1.63423 0.76699 0.00000 -0.19759 0.00000
50 18F-2 0.00000 0.00000 0.76699 0.00000 -0.19759
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 0.00000 0.00000 0.03601 0.00000 0.05808
55 19F-1 0.07003 0.03601 0.00000 0.05808 0.00000
56 19F+2 -0.25900 -0.73253 0.00000 0.47833 0.00000
57 19F-2 0.00000 0.00000 -0.73253 0.00000 0.47833
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 0.00000 0.00000 -0.01899 0.00000 -0.06880
62 20F-1 -0.01282 -0.01899 0.00000 -0.06880 0.00000
63 20F+2 0.08722 -0.00880 0.00000 -0.23826 0.00000
64 20F-2 0.00000 0.00000 -0.00880 0.00000 -0.23826
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 0.00000 0.00000 1.00022 0.00000 0.26866
69 21G-1 -0.13698 1.00022 0.00000 0.26866 0.00000
70 21G+2 0.41119 0.07700 0.00000 -0.71365 0.00000
71 21G-2 0.00000 0.00000 0.07700 0.00000 -0.71365
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 -0.43460 -0.76446 0.00000 0.81710 0.00000
75 21G-4 0.00000 0.00000 0.76446 0.00000 -0.81710
76 22G 0 0.00000 0.00000 0.00000 0.00000 0.00000
77 22G+1 0.00000 0.00000 -0.14679 0.00000 -0.03475
78 22G-1 -0.02245 -0.14679 0.00000 -0.03475 0.00000
79 22G+2 -0.05207 0.04791 0.00000 0.10199 0.00000
80 22G-2 0.00000 0.00000 0.04791 0.00000 0.10199
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 0.09529 0.10705 0.00000 -0.08691 0.00000
84 22G-4 0.00000 0.00000 -0.10705 0.00000 0.08691
85 23H 0 0.00000 0.00000 0.00000 0.00000 0.00000
86 23H+1 0.00000 0.00000 -0.01762 0.00000 -0.09624
87 23H-1 0.00860 -0.01762 0.00000 -0.09624 0.00000
88 23H+2 0.02304 -0.06372 0.00000 0.02203 0.00000
89 23H-2 0.00000 0.00000 -0.06372 0.00000 0.02203
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 -0.00983 0.01828 0.00000 -0.15091 0.00000
93 23H-4 0.00000 0.00000 -0.01828 0.00000 0.15091
94 23H+5 0.00000 0.00000 -0.01440 0.00000 -0.00516
95 23H-5 -0.07319 0.01440 0.00000 0.00516 0.00000
96 2 H 1S -0.01048 0.01182 0.00000 0.01770 0.00000
97 2S 0.02958 -0.16099 0.00000 0.15474 0.00000
98 3S 1.06947 0.08982 0.00000 -2.65990 0.00000
99 4S -2.34976 4.53738 0.00000 8.02869 0.00000
100 5S -0.12339 0.09554 0.00000 -0.40319 0.00000
101 6PX 0.00000 0.00000 -0.00742 0.00000 -0.00193
102 6PY -0.00279 0.00093 0.00000 -0.00684 0.00000
103 6PZ 0.00632 -0.00049 0.00000 0.00485 0.00000
104 7PX 0.00000 0.00000 0.02372 0.00000 0.01332
105 7PY 0.01235 0.02518 0.00000 0.02207 0.00000
106 7PZ -0.03470 -0.00536 0.00000 -0.02532 0.00000
107 8PX 0.00000 0.00000 -0.11404 0.00000 0.01078
108 8PY -0.52253 -0.02798 0.00000 0.75942 0.00000
109 8PZ 0.33564 -0.05319 0.00000 -0.43464 0.00000
110 9PX 0.00000 0.00000 0.93836 0.00000 -1.35597
111 9PY 2.27235 -3.20820 0.00000 -4.06983 0.00000
112 9PZ 0.58468 0.53980 0.00000 3.31930 0.00000
113 10D 0 0.03915 0.00061 0.00000 -0.00265 0.00000
114 10D+1 0.00000 0.00000 0.00366 0.00000 -0.01195
115 10D-1 0.00859 0.00745 0.00000 -0.04749 0.00000
116 10D+2 0.00875 -0.02794 0.00000 -0.03441 0.00000
117 10D-2 0.00000 0.00000 0.01261 0.00000 0.01637
118 11D 0 -0.20943 0.00174 0.00000 0.01415 0.00000
119 11D+1 0.00000 0.00000 -0.01968 0.00000 0.06725
120 11D-1 -0.05737 -0.02250 0.00000 0.31281 0.00000
121 11D+2 -0.06691 0.15998 0.00000 0.22522 0.00000
122 11D-2 0.00000 0.00000 -0.05628 0.00000 -0.08904
123 12D 0 1.15300 -0.30723 0.00000 0.06245 0.00000
124 12D+1 0.00000 0.00000 0.16506 0.00000 -0.54688
125 12D-1 0.12346 -0.20372 0.00000 -1.77448 0.00000
126 12D+2 0.36107 -1.37466 0.00000 -1.12648 0.00000
127 12D-2 0.00000 0.00000 -0.00183 0.00000 0.58656
128 13F 0 -0.00147 0.00462 0.00000 0.01419 0.00000
129 13F+1 0.00000 0.00000 0.00295 0.00000 0.00136
130 13F-1 0.00795 -0.00195 0.00000 0.01006 0.00000
131 13F+2 -0.00655 0.00672 0.00000 0.02511 0.00000
132 13F-2 0.00000 0.00000 0.00430 0.00000 -0.00328
133 13F+3 0.00000 0.00000 0.00287 0.00000 -0.00559
134 13F-3 -0.00040 -0.01425 0.00000 -0.01426 0.00000
135 14F 0 0.01909 -0.03494 0.00000 -0.09669 0.00000
136 14F+1 0.00000 0.00000 -0.01215 0.00000 -0.03573
137 14F-1 -0.07113 0.02722 0.00000 -0.07841 0.00000
138 14F+2 0.03400 -0.07489 0.00000 -0.16585 0.00000
139 14F-2 0.00000 0.00000 -0.03056 0.00000 0.06168
140 14F+3 0.00000 0.00000 -0.02452 0.00000 0.03995
141 14F-3 -0.00047 0.13851 0.00000 0.08832 0.00000
142 15G 0 -0.00047 0.00267 0.00000 -0.00479 0.00000
143 15G+1 0.00000 0.00000 0.00290 0.00000 -0.00219
144 15G-1 -0.00512 -0.00003 0.00000 0.00282 0.00000
145 15G+2 -0.00226 -0.00017 0.00000 -0.00440 0.00000
146 15G-2 0.00000 0.00000 -0.00284 0.00000 0.00694
147 15G+3 0.00000 0.00000 0.00153 0.00000 0.00445
148 15G-3 -0.00128 0.00619 0.00000 0.00622 0.00000
149 15G+4 0.00054 0.00590 0.00000 0.00245 0.00000
150 15G-4 0.00000 0.00000 0.00072 0.00000 -0.00004
151 3 H 1S 0.00524 -0.00591 0.01024 -0.00885 0.01532
152 2S -0.01479 0.08049 -0.13942 -0.07737 0.13401
153 3S -0.53474 -0.04491 0.07778 1.32995 -2.30354
154 4S 1.17488 -2.26869 3.92949 -4.01435 6.95305
155 5S 0.06170 -0.04777 0.08274 0.20160 -0.34918
156 6PX 0.00052 -0.00361 -0.00116 0.00213 -0.00561
157 6PY -0.00189 -0.00533 -0.00361 -0.00316 0.00213
158 6PZ -0.00316 0.00025 -0.00043 -0.00242 0.00420
159 7PX 0.00288 -0.00063 0.02481 -0.00379 0.01988
160 7PY 0.01734 0.02409 -0.00063 0.01550 -0.00379
161 7PZ 0.01735 0.00268 -0.00465 0.01266 -0.02193
162 8PX 0.26972 -0.03726 -0.04950 -0.32417 0.57226
163 8PY -0.05536 -0.09253 -0.03726 0.19794 -0.32417
164 8PZ -0.16782 0.02660 -0.04606 0.21732 -0.37641
165 9PX -2.23053 1.79551 -2.17156 1.17514 -3.39137
166 9PY -1.59103 -0.09828 1.79551 -2.03443 1.17514
167 9PZ -0.29234 -0.26990 0.46748 -1.65965 2.87460
168 10D 0 -0.01957 -0.00031 0.00053 0.00132 -0.00229
169 10D+1 -0.01517 -0.00164 0.00650 0.01539 -0.03860
170 10D-1 -0.01769 0.00461 -0.00164 -0.02083 0.01539
171 10D+2 0.03102 0.00248 0.01756 0.00368 0.02199
172 10D-2 0.01286 0.01756 -0.01780 0.02199 -0.02171
173 11D 0 0.10472 -0.00087 0.00151 -0.00708 0.01226
174 11D+1 0.08265 0.00122 -0.02179 -0.10633 0.25142
175 11D-1 0.08578 -0.02038 0.00122 0.12864 -0.10633
176 11D+2 -0.18516 -0.00222 -0.09364 -0.01047 -0.13608
177 11D-2 -0.06827 -0.09364 0.10591 -0.13608 0.14666
178 12D 0 -0.57650 0.15362 -0.26607 -0.03123 0.05408
179 12D+1 -0.33573 0.15969 -0.11153 0.53157 -1.46758
180 12D-1 -0.45804 0.07286 0.15969 -0.85378 0.53157
181 12D+2 1.22298 -0.34504 0.59445 0.15830 0.74177
182 12D-2 0.49762 0.59445 -1.03145 0.74177 -0.69822
183 13F 0 0.00073 -0.00231 0.00400 -0.00710 0.01229
184 13F+1 -0.00567 0.00212 -0.00072 -0.00377 0.00789
185 13F-1 -0.00186 0.00173 0.00212 0.00354 -0.00377
186 13F+2 0.00010 0.00491 -0.00104 0.00382 -0.01229
187 13F-2 0.00384 -0.00104 0.00611 -0.01229 0.01801
188 13F+3 0.01790 -0.00248 -0.00143 0.00484 0.00279
189 13F-3 0.00020 0.00713 -0.01234 0.00713 -0.01235
190 14F 0 -0.00955 0.01747 -0.03026 0.04834 -0.08374
191 14F+1 0.04847 -0.01705 0.01738 0.01848 -0.06774
192 14F-1 0.01284 -0.00231 -0.01705 -0.04640 0.01848
193 14F+2 0.01546 -0.04164 0.01920 0.00480 0.09852
194 14F-2 -0.01070 0.01920 -0.06381 0.09852 -0.10896
195 14F+3 -0.14320 0.02124 0.01226 -0.03460 -0.01998
196 14F-3 0.00023 -0.06925 0.11995 -0.04416 0.07649
197 15G 0 0.00024 -0.00134 0.00231 0.00240 -0.00415
198 15G+1 0.00291 0.00127 0.00070 -0.00217 0.00157
199 15G-1 -0.00007 0.00217 0.00127 -0.00094 -0.00217
200 15G+2 -0.00070 -0.00217 -0.00115 0.00410 0.00491
201 15G-2 0.00090 -0.00115 -0.00084 0.00491 -0.00157
202 15G+3 -0.00531 -0.00132 -0.00076 -0.00385 -0.00222
203 15G-3 0.00064 -0.00309 0.00536 -0.00311 0.00539
204 15G+4 0.00479 0.00094 -0.00286 0.00064 -0.00105
205 15G-4 -0.00245 0.00286 -0.00424 0.00105 -0.00185
206 4 H 1S 0.00524 -0.00591 -0.01024 -0.00885 -0.01532
207 2S -0.01479 0.08049 0.13942 -0.07737 -0.13401
208 3S -0.53474 -0.04491 -0.07778 1.32995 2.30354
209 4S 1.17488 -2.26869 -3.92949 -4.01435 -6.95305
210 5S 0.06170 -0.04777 -0.08274 0.20160 0.34918
211 6PX -0.00052 0.00361 -0.00116 -0.00213 -0.00561
212 6PY -0.00189 -0.00533 0.00361 -0.00316 -0.00213
213 6PZ -0.00316 0.00025 0.00043 -0.00242 -0.00420
214 7PX -0.00288 0.00063 0.02481 0.00379 0.01988
215 7PY 0.01734 0.02409 0.00063 0.01550 0.00379
216 7PZ 0.01735 0.00268 0.00465 0.01266 0.02193
217 8PX -0.26972 0.03726 -0.04950 0.32417 0.57226
218 8PY -0.05536 -0.09253 0.03726 0.19794 0.32417
219 8PZ -0.16782 0.02660 0.04606 0.21732 0.37641
220 9PX 2.23053 -1.79551 -2.17156 -1.17514 -3.39137
221 9PY -1.59103 -0.09828 -1.79551 -2.03443 -1.17514
222 9PZ -0.29234 -0.26990 -0.46748 -1.65965 -2.87460
223 10D 0 -0.01957 -0.00031 -0.00053 0.00132 0.00229
224 10D+1 0.01517 0.00164 0.00650 -0.01539 -0.03860
225 10D-1 -0.01769 0.00461 0.00164 -0.02083 -0.01539
226 10D+2 0.03102 0.00248 -0.01756 0.00368 -0.02199
227 10D-2 -0.01286 -0.01756 -0.01780 -0.02199 -0.02171
228 11D 0 0.10472 -0.00087 -0.00151 -0.00708 -0.01226
229 11D+1 -0.08265 -0.00122 -0.02179 0.10633 0.25142
230 11D-1 0.08578 -0.02038 -0.00122 0.12864 0.10633
231 11D+2 -0.18516 -0.00222 0.09364 -0.01047 0.13608
232 11D-2 0.06827 0.09364 0.10591 0.13608 0.14666
233 12D 0 -0.57650 0.15362 0.26607 -0.03123 -0.05408
234 12D+1 0.33573 -0.15969 -0.11153 -0.53157 -1.46758
235 12D-1 -0.45804 0.07286 -0.15969 -0.85378 -0.53157
236 12D+2 1.22298 -0.34504 -0.59445 0.15830 -0.74177
237 12D-2 -0.49762 -0.59445 -1.03145 -0.74177 -0.69822
238 13F 0 0.00073 -0.00231 -0.00400 -0.00710 -0.01229
239 13F+1 0.00567 -0.00212 -0.00072 0.00377 0.00789
240 13F-1 -0.00186 0.00173 -0.00212 0.00354 0.00377
241 13F+2 0.00010 0.00491 0.00104 0.00382 0.01229
242 13F-2 -0.00384 0.00104 0.00611 0.01229 0.01801
243 13F+3 -0.01790 0.00248 -0.00143 -0.00484 0.00279
244 13F-3 0.00020 0.00713 0.01234 0.00713 0.01235
245 14F 0 -0.00955 0.01747 0.03026 0.04834 0.08374
246 14F+1 -0.04847 0.01705 0.01738 -0.01848 -0.06774
247 14F-1 0.01284 -0.00231 0.01705 -0.04640 -0.01848
248 14F+2 0.01546 -0.04164 -0.01920 0.00480 -0.09852
249 14F-2 0.01070 -0.01920 -0.06381 -0.09852 -0.10896
250 14F+3 0.14320 -0.02124 0.01226 0.03460 -0.01998
251 14F-3 0.00023 -0.06925 -0.11995 -0.04416 -0.07649
252 15G 0 0.00024 -0.00134 -0.00231 0.00240 0.00415
253 15G+1 -0.00291 -0.00127 0.00070 0.00217 0.00157
254 15G-1 -0.00007 0.00217 -0.00127 -0.00094 0.00217
255 15G+2 -0.00070 -0.00217 0.00115 0.00410 -0.00491
256 15G-2 -0.00090 0.00115 -0.00084 -0.00491 -0.00157
257 15G+3 0.00531 0.00132 -0.00076 0.00385 -0.00222
258 15G-3 0.00064 -0.00309 -0.00536 -0.00311 -0.00539
259 15G+4 0.00479 0.00094 0.00286 0.00064 0.00105
260 15G-4 0.00245 -0.00286 -0.00424 -0.00105 -0.00185
76 77 78 79 80
(A1)--V (E)--V (E)--V (A2)--V (A1)--V
Eigenvalues -- 2.32274 2.35695 2.35695 2.40223 2.41445
1 1 P 1S -0.01056 0.00000 0.00000 0.00000 -0.01501
2 2S -0.01321 0.00000 0.00000 0.00000 0.00746
3 3S -0.15105 0.00000 0.00000 0.00000 -0.10206
4 4S -0.46185 0.00000 0.00000 0.00000 0.37585
5 5S -1.15362 0.00000 0.00000 0.00000 -8.49242
6 6S 8.18048 0.00000 0.00000 0.00000 25.58324
7 7S 2.70127 0.00000 0.00000 0.00000 8.18880
8 8PX 0.00000 -0.00118 0.00000 0.00000 0.00000
9 8PY 0.00000 0.00000 -0.00118 0.00000 0.00000
10 8PZ -0.01984 0.00000 0.00000 0.00000 0.11598
11 9PX 0.00000 0.01805 0.00000 0.00000 0.00000
12 9PY 0.00000 0.00000 0.01805 0.00000 0.00000
13 9PZ 0.07867 0.00000 0.00000 0.00000 -0.01165
14 10PX 0.00000 0.07103 0.00000 0.00000 0.00000
15 10PY 0.00000 0.00000 0.07103 0.00000 0.00000
16 10PZ 0.27680 0.00000 0.00000 0.00000 0.44222
17 11PX 0.00000 -0.28860 0.00000 0.00000 0.00000
18 11PY 0.00000 0.00000 -0.28860 0.00000 0.00000
19 11PZ -1.00748 0.00000 0.00000 0.00000 -1.59258
20 12PX 0.00000 2.75004 0.00000 0.00000 0.00000
21 12PY 0.00000 0.00000 2.75004 0.00000 0.00000
22 12PZ -0.95750 0.00000 0.00000 0.00000 -14.13171
23 13PX 0.00000 0.27574 0.00000 0.00000 0.00000
24 13PY 0.00000 0.00000 0.27574 0.00000 0.00000
25 13PZ -0.41558 0.00000 0.00000 0.00000 -1.12055
26 14D 0 -2.40294 0.00000 0.00000 0.00000 1.13119
27 14D+1 0.00000 -1.24428 0.00000 0.00000 0.00000
28 14D-1 0.00000 0.00000 -1.24428 0.00000 0.00000
29 14D+2 0.00000 0.00000 -0.43797 0.00000 0.00000
30 14D-2 0.00000 -0.43797 0.00000 0.00000 0.00000
31 15D 0 -1.29571 0.00000 0.00000 0.00000 0.63263
32 15D+1 0.00000 0.44994 0.00000 0.00000 0.00000
33 15D-1 0.00000 0.00000 0.44994 0.00000 0.00000
34 15D+2 0.00000 0.00000 0.20866 0.00000 0.00000
35 15D-2 0.00000 0.20866 0.00000 0.00000 0.00000
36 16D 0 -0.21340 0.00000 0.00000 0.00000 0.07830
37 16D+1 0.00000 -0.03125 0.00000 0.00000 0.00000
38 16D-1 0.00000 0.00000 -0.03125 0.00000 0.00000
39 16D+2 0.00000 0.00000 -0.13116 0.00000 0.00000
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122 11D-2 0.00000 -0.14337 0.00000 0.21055 0.00000
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124 12D+1 0.00000 -0.19503 0.00000 0.42257 0.00000
125 12D-1 1.21579 0.00000 0.51394 0.00000 0.42137
126 12D+2 -0.46603 0.00000 -0.52370 0.00000 0.89809
127 12D-2 0.00000 0.65722 0.00000 -1.09920 0.00000
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129 13F+1 0.00000 -0.00392 0.00000 -0.00240 0.00000
130 13F-1 -0.00824 0.00000 0.00128 0.00000 0.00364
131 13F+2 -0.00113 0.00000 -0.00316 0.00000 0.00462
132 13F-2 0.00000 -0.00849 0.00000 0.00713 0.00000
133 13F+3 0.00000 0.00368 0.00000 -0.00246 0.00000
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138 14F+2 0.02921 0.00000 -0.00406 0.00000 0.01501
139 14F-2 0.00000 0.05060 0.00000 -0.06907 0.00000
140 14F+3 0.00000 -0.02473 0.00000 -0.00143 0.00000
141 14F-3 -0.04579 0.00000 0.06056 0.00000 -0.04305
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143 15G+1 0.00000 -0.00012 0.00000 -0.00091 0.00000
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145 15G+2 0.00498 0.00000 0.00578 0.00000 -0.00219
146 15G-2 0.00000 0.00241 0.00000 -0.00432 0.00000
147 15G+3 0.00000 0.00386 0.00000 -0.00676 0.00000
148 15G-3 -0.00087 0.00000 0.00170 0.00000 -0.00388
149 15G+4 0.00040 0.00000 0.00331 0.00000 -0.00255
150 15G-4 0.00000 -0.00062 0.00000 0.00482 0.00000
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152 2S 0.19321 -0.07840 0.04526 0.00000 0.30718
153 3S -1.35146 0.13748 -0.07938 0.00000 -3.85094
154 4S -2.72233 -1.73219 1.00008 0.00000 -8.56359
155 5S -0.33049 0.10717 -0.06187 0.00000 -0.57665
156 6PX -0.01689 0.00832 0.00512 0.00278 0.00872
157 6PY 0.00975 0.00512 0.01423 0.00482 -0.00503
158 6PZ -0.01802 0.00430 -0.00248 0.00000 0.00582
159 7PX 0.06138 -0.03465 -0.02986 -0.01533 -0.08096
160 7PY -0.03544 -0.02986 -0.06913 -0.02655 0.04674
161 7PZ 0.09881 -0.03408 0.01968 0.00000 -0.00659
162 8PX -0.11560 0.06198 0.24519 0.08422 0.96678
163 8PY 0.06674 0.24519 0.34510 0.14587 -0.55817
164 8PZ -0.51673 0.33457 -0.19317 0.00000 -0.46773
165 9PX 0.62357 -0.27593 -0.43001 -0.43923 3.53078
166 9PY -0.36002 -0.43001 -0.77246 -0.76076 -2.03850
167 9PZ -2.17402 -0.78425 0.45278 0.00000 -1.10223
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170 10D-1 -0.01551 -0.01801 0.00141 -0.01069 0.00213
171 10D+2 0.01392 0.01817 0.01775 0.03585 -0.00426
172 10D-2 -0.02411 -0.00323 0.01817 0.02070 0.00738
173 11D 0 0.07548 0.18562 -0.10717 0.00000 -0.09997
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175 11D-1 0.08229 0.09730 -0.00545 0.06198 -0.02507
176 11D+2 -0.07089 -0.09085 -0.09092 -0.18235 0.01509
177 11D-2 0.12279 0.01398 -0.09085 -0.10528 -0.02614
178 12D 0 -0.53188 -0.85834 0.49556 0.00000 0.79700
179 12D+1 1.05291 0.33670 -0.30699 -0.21129 0.36491
180 12D-1 -0.60790 -0.30699 -0.01779 -0.36596 -0.21068
181 12D+2 0.23302 0.51135 0.36199 0.95193 -0.44905
182 12D-2 -0.40360 -0.22847 0.51135 0.54960 0.77777
183 13F 0 -0.00618 0.00465 -0.00269 0.00000 0.00017
184 13F+1 -0.00714 -0.00002 -0.00225 0.00120 0.00315
185 13F-1 0.00412 -0.00225 -0.00262 0.00208 -0.00182
186 13F+2 0.00056 -0.00231 -0.00716 -0.00618 -0.00231
187 13F-2 -0.00098 -0.00449 -0.00231 -0.00357 0.00400
188 13F+3 0.00000 -0.00184 -0.00319 -0.00246 0.00000
189 13F-3 0.00821 -0.00524 0.00302 0.00000 0.00036
190 14F 0 0.03700 -0.04561 0.02633 0.00000 0.03847
191 14F+1 0.07737 0.00836 0.00503 -0.01115 -0.04221
192 14F-1 -0.04467 0.00503 0.01417 -0.01931 0.02437
193 14F+2 -0.01461 0.02367 0.03693 0.05982 -0.00751
194 14F-2 0.02530 0.00961 0.02367 0.03454 0.01300
195 14F+3 0.00000 0.01237 0.02142 -0.00143 0.00000
196 14F-3 -0.04579 0.05245 -0.03028 0.00000 -0.04305
197 15G 0 0.00350 0.00265 -0.00153 0.00000 -0.00055
198 15G+1 0.00095 0.00520 -0.00307 0.00045 -0.00554
199 15G-1 -0.00055 -0.00307 0.00165 0.00079 0.00320
200 15G+2 -0.00249 -0.00146 0.00325 0.00374 0.00109
201 15G-2 0.00431 0.00493 -0.00146 0.00216 -0.00189
202 15G+3 0.00000 -0.00193 -0.00335 -0.00676 0.00000
203 15G-3 -0.00087 0.00147 -0.00085 0.00000 -0.00388
204 15G+4 -0.00020 -0.00117 0.00129 0.00418 0.00127
205 15G-4 -0.00035 -0.00264 0.00117 -0.00241 0.00221
206 4 H 1S -0.00543 0.00611 0.00353 0.00000 -0.01604
207 2S 0.19321 0.07840 0.04526 0.00000 0.30718
208 3S -1.35146 -0.13748 -0.07938 0.00000 -3.85094
209 4S -2.72233 1.73219 1.00008 0.00000 -8.56359
210 5S -0.33049 -0.10717 -0.06187 0.00000 -0.57665
211 6PX 0.01689 0.00832 -0.00512 0.00278 -0.00872
212 6PY 0.00975 -0.00512 0.01423 -0.00482 -0.00503
213 6PZ -0.01802 -0.00430 -0.00248 0.00000 0.00582
214 7PX -0.06138 -0.03465 0.02986 -0.01533 0.08096
215 7PY -0.03544 0.02986 -0.06913 0.02655 0.04674
216 7PZ 0.09881 0.03408 0.01968 0.00000 -0.00659
217 8PX 0.11560 0.06198 -0.24519 0.08422 -0.96678
218 8PY 0.06674 -0.24519 0.34510 -0.14587 -0.55817
219 8PZ -0.51673 -0.33457 -0.19317 0.00000 -0.46773
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221 9PY -0.36002 0.43001 -0.77246 0.76076 -2.03850
222 9PZ -2.17402 0.78425 0.45278 0.00000 -1.10223
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225 10D-1 -0.01551 0.01801 0.00141 0.01069 0.00213
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227 10D-2 0.02411 -0.00323 -0.01817 0.02070 -0.00738
228 11D 0 0.07548 -0.18562 -0.10717 0.00000 -0.09997
229 11D+1 0.14253 -0.11780 -0.09730 0.03579 -0.04342
230 11D-1 0.08229 -0.09730 -0.00545 -0.06198 -0.02507
231 11D+2 -0.07089 0.09085 -0.09092 0.18235 0.01509
232 11D-2 -0.12279 0.01398 0.09085 -0.10528 0.02614
233 12D 0 -0.53188 0.85834 0.49556 0.00000 0.79700
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235 12D-1 -0.60790 0.30699 -0.01779 0.36596 -0.21068
236 12D+2 0.23302 -0.51135 0.36199 -0.95193 -0.44905
237 12D-2 0.40360 -0.22847 -0.51135 0.54960 -0.77777
238 13F 0 -0.00618 -0.00465 -0.00269 0.00000 0.00017
239 13F+1 0.00714 -0.00002 0.00225 0.00120 -0.00315
240 13F-1 0.00412 0.00225 -0.00262 -0.00208 -0.00182
241 13F+2 0.00056 0.00231 -0.00716 0.00618 -0.00231
242 13F-2 0.00098 -0.00449 0.00231 -0.00357 -0.00400
243 13F+3 0.00000 -0.00184 0.00319 -0.00246 0.00000
244 13F-3 0.00821 0.00524 0.00302 0.00000 0.00036
245 14F 0 0.03700 0.04561 0.02633 0.00000 0.03847
246 14F+1 -0.07737 0.00836 -0.00503 -0.01115 0.04221
247 14F-1 -0.04467 -0.00503 0.01417 0.01931 0.02437
248 14F+2 -0.01461 -0.02367 0.03693 -0.05982 -0.00751
249 14F-2 -0.02530 0.00961 -0.02367 0.03454 -0.01300
250 14F+3 0.00000 0.01237 -0.02142 -0.00143 0.00000
251 14F-3 -0.04579 -0.05245 -0.03028 0.00000 -0.04305
252 15G 0 0.00350 -0.00265 -0.00153 0.00000 -0.00055
253 15G+1 -0.00095 0.00520 0.00307 0.00045 0.00554
254 15G-1 -0.00055 0.00307 0.00165 -0.00079 0.00320
255 15G+2 -0.00249 0.00146 0.00325 -0.00374 0.00109
256 15G-2 -0.00431 0.00493 0.00146 0.00216 0.00189
257 15G+3 0.00000 -0.00193 0.00335 -0.00676 0.00000
258 15G-3 -0.00087 -0.00147 -0.00085 0.00000 -0.00388
259 15G+4 -0.00020 0.00117 0.00129 -0.00418 0.00127
260 15G-4 0.00035 -0.00264 -0.00117 -0.00241 -0.00221
81 82 83 84 85
(E)--V (E)--V (A1)--V (E)--V (E)--V
Eigenvalues -- 2.42123 2.42123 2.48295 2.53363 2.53363
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3 3S 0.00000 0.00000 -0.18708 0.00000 0.00000
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5 5S 0.00000 0.00000 5.97013 0.00000 0.00000
6 6S 0.00000 0.00000 -5.13292 0.00000 0.00000
7 7S 0.00000 0.00000 3.58475 0.00000 0.00000
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9 8PY -0.03372 0.00000 0.00000 0.01793 0.00000
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12 9PY 0.00283 0.00000 0.00000 0.11915 0.00000
13 9PZ 0.00000 0.00000 0.10093 0.00000 0.00000
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15 10PY -0.17383 0.00000 0.00000 0.62817 0.00000
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18 11PY 0.82330 0.00000 0.00000 -2.22344 0.00000
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21 12PY 6.33373 0.00000 0.00000 -5.89039 0.00000
22 12PZ 0.00000 0.00000 2.73353 0.00000 0.00000
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24 13PY 0.11358 0.00000 0.00000 -0.47206 0.00000
25 13PZ 0.00000 0.00000 -1.09025 0.00000 0.00000
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28 14D-1 -2.65826 0.00000 0.00000 1.54937 0.00000
29 14D+2 -0.39307 0.00000 0.00000 3.24505 0.00000
30 14D-2 0.00000 -0.39307 0.00000 0.00000 3.24505
31 15D 0 0.00000 0.00000 -0.16764 0.00000 0.00000
32 15D+1 0.00000 -1.34462 0.00000 0.00000 2.12784
33 15D-1 -1.34462 0.00000 0.00000 2.12784 0.00000
34 15D+2 0.10071 0.00000 0.00000 1.73310 0.00000
35 15D-2 0.00000 0.10071 0.00000 0.00000 1.73310
36 16D 0 0.00000 0.00000 0.05766 0.00000 0.00000
37 16D+1 0.00000 -0.19893 0.00000 0.00000 -0.31623
38 16D-1 -0.19893 0.00000 0.00000 -0.31623 0.00000
39 16D+2 0.32262 0.00000 0.00000 0.02671 0.00000
40 16D-2 0.00000 0.32262 0.00000 0.00000 0.02671
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43 17D-1 -0.07087 0.00000 0.00000 0.00285 0.00000
44 17D+2 0.07149 0.00000 0.00000 0.04156 0.00000
45 17D-2 0.00000 0.07149 0.00000 0.00000 0.04156
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48 18F-1 0.27613 0.00000 0.00000 0.63628 0.00000
49 18F+2 0.41909 0.00000 0.00000 -2.03448 0.00000
50 18F-2 0.00000 0.41909 0.00000 0.00000 -2.03448
51 18F+3 0.00000 0.00000 0.00000 0.00000 0.00000
52 18F-3 0.00000 0.00000 -0.48395 0.00000 0.00000
53 19F 0 0.00000 0.00000 -1.47147 0.00000 0.00000
54 19F+1 0.00000 0.80414 0.00000 0.00000 -0.68727
55 19F-1 0.80414 0.00000 0.00000 -0.68727 0.00000
56 19F+2 -0.99247 0.00000 0.00000 -1.04355 0.00000
57 19F-2 0.00000 -0.99247 0.00000 0.00000 -1.04355
58 19F+3 0.00000 0.00000 0.00000 0.00000 0.00000
59 19F-3 0.00000 0.00000 1.39394 0.00000 0.00000
60 20F 0 0.00000 0.00000 0.24476 0.00000 0.00000
61 20F+1 0.00000 -0.08973 0.00000 0.00000 0.05224
62 20F-1 -0.08973 0.00000 0.00000 0.05224 0.00000
63 20F+2 0.15864 0.00000 0.00000 0.05149 0.00000
64 20F-2 0.00000 0.15864 0.00000 0.00000 0.05149
65 20F+3 0.00000 0.00000 0.00000 0.00000 0.00000
66 20F-3 0.00000 0.00000 -0.24866 0.00000 0.00000
67 21G 0 0.00000 0.00000 1.21296 0.00000 0.00000
68 21G+1 0.00000 -0.13478 0.00000 0.00000 -0.73555
69 21G-1 -0.13478 0.00000 0.00000 -0.73555 0.00000
70 21G+2 -0.26935 0.00000 0.00000 1.65913 0.00000
71 21G-2 0.00000 -0.26935 0.00000 0.00000 1.65913
72 21G+3 0.00000 0.00000 0.00000 0.00000 0.00000
73 21G-3 0.00000 0.00000 -0.51795 0.00000 0.00000
74 21G+4 0.79653 0.00000 0.00000 -0.15337 0.00000
75 21G-4 0.00000 -0.79653 0.00000 0.00000 0.15337
76 22G 0 0.00000 0.00000 -0.07853 0.00000 0.00000
77 22G+1 0.00000 0.02530 0.00000 0.00000 0.07218
78 22G-1 0.02530 0.00000 0.00000 0.07218 0.00000
79 22G+2 0.03957 0.00000 0.00000 -0.11551 0.00000
80 22G-2 0.00000 0.03957 0.00000 0.00000 -0.11551
81 22G+3 0.00000 0.00000 0.00000 0.00000 0.00000
82 22G-3 0.00000 0.00000 -0.07279 0.00000 0.00000
83 22G+4 -0.07504 0.00000 0.00000 -0.00862 0.00000
84 22G-4 0.00000 0.07504 0.00000 0.00000 0.00862
85 23H 0 0.00000 0.00000 -0.03297 0.00000 0.00000
86 23H+1 0.00000 -0.01495 0.00000 0.00000 0.04959
87 23H-1 -0.01495 0.00000 0.00000 0.04959 0.00000
88 23H+2 0.04746 0.00000 0.00000 -0.06036 0.00000
89 23H-2 0.00000 0.04746 0.00000 0.00000 -0.06036
90 23H+3 0.00000 0.00000 0.00000 0.00000 0.00000
91 23H-3 0.00000 0.00000 0.21808 0.00000 0.00000
92 23H+4 -0.08438 0.00000 0.00000 -0.00501 0.00000
93 23H-4 0.00000 0.08438 0.00000 0.00000 0.00501
94 23H+5 0.00000 0.06632 0.00000 0.00000 0.02753
95 23H-5 -0.06632 0.00000 0.00000 -0.02753 0.00000
96 2 H 1S -0.01132 0.00000 0.00046 0.01383 0.00000
97 2S -0.09226 0.00000 -0.11470 -0.49847 0.00000
98 3S -0.43821 0.00000 2.73598 3.09150 0.00000
99 4S -6.28862 0.00000 -1.69251 7.81236 0.00000
100 5S 0.55326 0.00000 -0.57931 0.15043 0.00000
101 6PX 0.00000 -0.04077 0.00000 0.00000 -0.02716
102 6PY 0.02678 0.00000 -0.01393 -0.00026 0.00000
103 6PZ 0.01336 0.00000 0.00121 -0.00450 0.00000
104 7PX 0.00000 0.20014 0.00000 0.00000 0.13384
105 7PY -0.13408 0.00000 0.09486 0.06242 0.00000
106 7PZ -0.06240 0.00000 -0.02387 -0.00424 0.00000
107 8PX 0.00000 -0.95985 0.00000 0.00000 -0.70357
108 8PY 0.65387 0.00000 -1.33332 -0.81651 0.00000
109 8PZ 0.29681 0.00000 0.63453 0.21062 0.00000
110 9PX 0.00000 -1.10107 0.00000 0.00000 -1.35634
111 9PY 2.20898 0.00000 0.94613 -3.59533 0.00000
112 9PZ -1.30896 0.00000 -1.20986 2.56725 0.00000
113 10D 0 0.00318 0.00000 -0.01029 -0.00148 0.00000
114 10D+1 0.00000 -0.01824 0.00000 0.00000 0.02420
115 10D-1 0.00960 0.00000 0.02855 -0.00784 0.00000
116 10D+2 0.01626 0.00000 0.03895 0.00216 0.00000
117 10D-2 0.00000 0.02763 0.00000 0.00000 0.03058
118 11D 0 -0.01959 0.00000 0.04985 0.00959 0.00000
119 11D+1 0.00000 0.10138 0.00000 0.00000 -0.12629
120 11D-1 -0.05261 0.00000 -0.19730 0.04020 0.00000
121 11D+2 -0.09274 0.00000 -0.23771 -0.01048 0.00000
122 11D-2 0.00000 -0.15063 0.00000 0.00000 -0.17027
123 12D 0 0.18214 0.00000 -0.39287 -0.50024 0.00000
124 12D+1 0.00000 -0.77752 0.00000 0.00000 0.50578
125 12D-1 0.39688 0.00000 0.56413 -1.08221 0.00000
126 12D+2 0.71749 0.00000 0.73129 -1.00904 0.00000
127 12D-2 0.00000 1.00937 0.00000 0.00000 1.20066
128 13F 0 -0.00021 0.00000 -0.00658 0.00658 0.00000
129 13F+1 0.00000 0.00077 0.00000 0.00000 -0.00476
130 13F-1 -0.00075 0.00000 -0.00629 -0.00027 0.00000
131 13F+2 -0.00242 0.00000 -0.01642 0.00682 0.00000
132 13F-2 0.00000 -0.00368 0.00000 0.00000 0.00100
133 13F+3 0.00000 0.00161 0.00000 0.00000 -0.01026
134 13F-3 0.00130 0.00000 0.00663 -0.00743 0.00000
135 14F 0 0.00770 0.00000 0.00920 -0.09755 0.00000
136 14F+1 0.00000 -0.02280 0.00000 0.00000 0.05046
137 14F-1 -0.01266 0.00000 0.04090 0.02466 0.00000
138 14F+2 0.03189 0.00000 0.06648 -0.10352 0.00000
139 14F-2 0.00000 0.07306 0.00000 0.00000 0.00105
140 14F+3 0.00000 0.02889 0.00000 0.00000 0.10058
141 14F-3 -0.04113 0.00000 -0.01620 0.09827 0.00000
142 15G 0 -0.00113 0.00000 0.00108 -0.00317 0.00000
143 15G+1 0.00000 -0.00084 0.00000 0.00000 0.00096
144 15G-1 -0.00039 0.00000 0.00121 0.00723 0.00000
145 15G+2 0.00078 0.00000 0.00226 -0.00009 0.00000
146 15G-2 0.00000 0.00370 0.00000 0.00000 -0.00719
147 15G+3 0.00000 0.00482 0.00000 0.00000 -0.00223
148 15G-3 -0.00479 0.00000 -0.00144 0.00320 0.00000
149 15G+4 -0.00326 0.00000 -0.00339 0.00390 0.00000
150 15G-4 0.00000 -0.00366 0.00000 0.00000 -0.00487
151 3 H 1S 0.00566 -0.00981 0.00046 -0.00691 0.01197
152 2S 0.04613 -0.07990 -0.11470 0.24923 -0.43169
153 3S 0.21910 -0.37950 2.73598 -1.54575 2.67731
154 4S 3.14431 -5.44610 -1.69251 -3.90618 6.76571
155 5S -0.27663 0.47913 -0.57931 -0.07522 0.13028
156 6PX -0.02925 0.00989 -0.01207 -0.01165 -0.00698
157 6PY -0.02388 -0.02925 0.00697 -0.02043 -0.01165
158 6PZ -0.00668 0.01157 0.00121 0.00225 -0.00390
159 7PX 0.14472 -0.05052 0.08215 0.03092 0.08028
160 7PY 0.11658 0.14472 -0.04743 0.11598 0.03092
161 7PZ 0.03120 -0.05404 -0.02387 0.00212 -0.00367
162 8PX -0.69876 0.25044 -1.15469 0.04891 -0.78828
163 8PY -0.55642 -0.69876 0.66666 -0.73180 0.04891
164 8PZ -0.14840 0.25704 0.63453 -0.10531 0.18240
165 9PX -1.43329 1.38147 0.81937 0.96951 -3.03558
166 9PY -0.27356 -1.43329 -0.47306 -1.91608 0.96951
167 9PZ 0.65448 -1.13360 -1.20986 -1.28363 2.22331
168 10D 0 -0.00159 0.00276 -0.01029 0.00074 -0.00128
169 10D+1 -0.01205 0.00264 0.02472 0.01387 0.00017
170 10D-1 -0.01128 -0.01205 -0.01427 0.01619 0.01387
171 10D+2 0.02479 0.00492 -0.01948 0.02348 0.01231
172 10D-2 0.00492 0.01910 0.03373 0.01231 0.00926
173 11D 0 0.00980 -0.01697 0.04985 -0.00480 0.00831
174 11D+1 0.06668 -0.01411 -0.17087 -0.07209 -0.00142
175 11D-1 0.06288 0.06668 0.09865 -0.08467 -0.07209
176 11D+2 -0.13616 -0.02507 0.11886 -0.13032 -0.06919
177 11D-2 -0.02507 -0.10721 -0.20586 -0.06919 -0.05043
178 12D 0 -0.09107 0.15774 -0.39287 0.25012 -0.43322
179 12D+1 -0.50853 0.10328 0.48855 0.68762 -0.68521
180 12D-1 -0.48392 -0.50853 -0.28207 0.10878 0.68762
181 12D+2 0.93640 0.12639 -0.36565 0.64823 0.95683
182 12D-2 0.12639 0.79046 0.63332 0.95683 -0.45662
183 13F 0 0.00010 -0.00018 -0.00658 -0.00329 0.00569
184 13F+1 0.00066 -0.00037 -0.00544 -0.00195 -0.00139
185 13F-1 0.00039 0.00066 0.00314 -0.00364 -0.00195
186 13F+2 -0.00336 -0.00055 0.00821 0.00245 -0.00252
187 13F-2 -0.00055 -0.00273 -0.01422 -0.00252 0.00536
188 13F+3 -0.00140 -0.00081 0.00000 0.00889 0.00513
189 13F-3 -0.00065 0.00113 0.00663 0.00372 -0.00644
190 14F 0 -0.00385 0.00667 0.00920 0.04878 -0.08448
191 14F+1 -0.00439 -0.01519 0.03542 0.01117 0.03111
192 14F-1 -0.02026 -0.00439 -0.02045 0.04401 0.01117
193 14F+2 0.06277 0.01783 -0.03324 -0.02509 0.04528
194 14F-2 0.01783 0.04218 0.05757 0.04528 -0.07738
195 14F+3 -0.02502 -0.01444 0.00000 -0.08711 -0.05029
196 14F-3 0.02056 -0.03562 -0.01620 -0.04914 0.08511
197 15G 0 0.00056 -0.00098 0.00108 0.00158 -0.00274
198 15G+1 -0.00020 -0.00050 0.00105 -0.00272 0.00566
199 15G-1 -0.00073 -0.00020 -0.00061 0.00253 -0.00272
200 15G+2 0.00297 0.00127 -0.00113 -0.00541 -0.00307
201 15G-2 0.00127 0.00151 0.00196 -0.00307 -0.00186
202 15G+3 -0.00418 -0.00241 0.00000 0.00194 0.00112
203 15G-3 0.00239 -0.00415 -0.00144 -0.00160 0.00277
204 15G+4 0.00193 0.00300 0.00169 0.00463 0.00042
205 15G-4 -0.00300 0.00153 0.00293 -0.00042 -0.00414
206 4 H 1S 0.00566 0.00981 0.00046 -0.00691 -0.01197
207 2S 0.04613 0.07990 -0.11470 0.24923 0.43169
208 3S 0.21910 0.37950 2.73598 -1.54575 -2.67731
209 4S 3.14431 5.44610 -1.69251 -3.90618 -6.76571
210 5S -0.27663 -0.47913 -0.57931 -0.07522 -0.13028
211 6PX 0.02925 0.00989 0.01207 0.01165 -0.00698
212 6PY -0.02388 0.02925 0.00697 -0.02043 0.01165
213 6PZ -0.00668 -0.01157 0.00121 0.00225 0.00390
214 7PX -0.14472 -0.05052 -0.08215 -0.03092 0.08028
215 7PY 0.11658 -0.14472 -0.04743 0.11598 -0.03092
216 7PZ 0.03120 0.05404 -0.02387 0.00212 0.00367
217 8PX 0.69876 0.25044 1.15469 -0.04891 -0.78828
218 8PY -0.55642 0.69876 0.66666 -0.73180 -0.04891
219 8PZ -0.14840 -0.25704 0.63453 -0.10531 -0.18240
220 9PX 1.43329 1.38147 -0.81937 -0.96951 -3.03558
221 9PY -0.27356 1.43329 -0.47306 -1.91608 -0.96951
222 9PZ 0.65448 1.13360 -1.20986 -1.28363 -2.22331
223 10D 0 -0.00159 -0.00276 -0.01029 0.00074 0.00128
224 10D+1 0.01205 0.00264 -0.02472 -0.01387 0.00017
225 10D-1 -0.01128 0.01205 -0.01427 0.01619 -0.01387
226 10D+2 0.02479 -0.00492 -0.01948 0.02348 -0.01231
227 10D-2 -0.00492 0.01910 -0.03373 -0.01231 0.00926
228 11D 0 0.00980 0.01697 0.04985 -0.00480 -0.00831
229 11D+1 -0.06668 -0.01411 0.17087 0.07209 -0.00142
230 11D-1 0.06288 -0.06668 0.09865 -0.08467 0.07209
231 11D+2 -0.13616 0.02507 0.11886 -0.13032 0.06919
232 11D-2 0.02507 -0.10721 0.20586 0.06919 -0.05043
233 12D 0 -0.09107 -0.15774 -0.39287 0.25012 0.43322
234 12D+1 0.50853 0.10328 -0.48855 -0.68762 -0.68521
235 12D-1 -0.48392 0.50853 -0.28207 0.10878 -0.68762
236 12D+2 0.93640 -0.12639 -0.36565 0.64823 -0.95683
237 12D-2 -0.12639 0.79046 -0.63332 -0.95683 -0.45662
238 13F 0 0.00010 0.00018 -0.00658 -0.00329 -0.00569
239 13F+1 -0.00066 -0.00037 0.00544 0.00195 -0.00139
240 13F-1 0.00039 -0.00066 0.00314 -0.00364 0.00195
241 13F+2 -0.00336 0.00055 0.00821 0.00245 0.00252
242 13F-2 0.00055 -0.00273 0.01422 0.00252 0.00536
243 13F+3 0.00140 -0.00081 0.00000 -0.00889 0.00513
244 13F-3 -0.00065 -0.00113 0.00663 0.00372 0.00644
245 14F 0 -0.00385 -0.00667 0.00920 0.04878 0.08448
246 14F+1 0.00439 -0.01519 -0.03542 -0.01117 0.03111
247 14F-1 -0.02026 0.00439 -0.02045 0.04401 -0.01117
248 14F+2 0.06277 -0.01783 -0.03324 -0.02509 -0.04528
249 14F-2 -0.01783 0.04218 -0.05757 -0.04528 -0.07738
250 14F+3 0.02502 -0.01444 0.00000 0.08711 -0.05029
251 14F-3 0.02056 0.03562 -0.01620 -0.04914 -0.08511
252 15G 0 0.00056 0.00098 0.00108 0.00158 0.00274
253 15G+1 0.00020 -0.00050 -0.00105 0.00272 0.00566
254 15G-1 -0.00073 0.00020 -0.00061 0.00253 0.00272
255 15G+2 0.00297 -0.00127 -0.00113 -0.00541 0.00307
256 15G-2 -0.00127 0.00151 -0.00196 0.00307 -0.00186
257 15G+3 0.00418 -0.00241 0.00000 -0.00194 0.00112
258 15G-3 0.00239 0.00415 -0.00144 -0.00160 -0.00277
259 15G+4 0.00193 -0.00300 0.00169 0.00463 -0.00042
260 15G-4 0.00300 0.00153 -0.00293 0.00042 -0.00414
86 87 88 89 90
(A1)--V (A1)--V (E)--V (E)--V (E)--V
Eigenvalues -- 2.53563 2.66157 2.68511 2.68511 2.99845
1 1 P 1S -0.01278 0.03588 0.00000 0.00000 0.00000
2 2S 0.03892 -0.09005 0.00000 0.00000 0.00000
3 3S 0.04018 0.08862 0.00000 0.00000 0.00000
4 4S 1.32450 -1.02159 0.00000 0.00000 0.00000
5 5S -8.50519 0.26682 0.00000 0.00000 0.00000
6 6S 12.82103 11.61388 0.00000 0.00000 0.00000
7 7S 1.48587 0.26844 0.00000 0.00000 0.00000
8 8PX 0.00000 0.00000 0.00000 -0.16332 0.00000
9 8PY 0.00000 0.00000 0.16332 0.00000 0.04301
10 8PZ 0.05874 0.09689 0.00000 0.00000 0.00000
11 9PX 0.00000 0.00000 0.00000 0.10163 0.00000
12 9PY 0.00000 0.00000 -0.10163 0.00000 -0.01021
13 9PZ -0.02648 -0.04354 0.00000 0.00000 0.00000
14 10PX 0.00000 0.00000 0.00000 -0.45210 0.00000
15 10PY 0.00000 0.00000 0.45210 0.00000 0.20729
16 10PZ 0.02808 0.35500 0.00000 0.00000 0.00000
17 11PX 0.00000 0.00000 0.00000 3.75438 0.00000
18 11PY 0.00000 0.00000 -3.75438 0.00000 -2.17303
19 11PZ 0.84558 -2.90690 0.00000 0.00000 0.00000
20 12PX 0.00000 0.00000 0.00000 6.14791 0.00000
21 12PY 0.00000 0.00000 -6.14791 0.00000 4.87959
22 12PZ -5.82393 -3.49495 0.00000 0.00000 0.00000
23 13PX 0.00000 0.00000 0.00000 -0.66521 0.00000
24 13PY 0.00000 0.00000 0.66521 0.00000 0.08078
25 13PZ 0.16333 -0.08237 0.00000 0.00000 0.00000
26 14D 0 -0.42654 0.14101 0.00000 0.00000 0.00000
27 14D+1 0.00000 0.00000 0.00000 -0.58869 0.00000
28 14D-1 0.00000 0.00000 0.58869 0.00000 -1.19463
29 14D+2 0.00000 0.00000 0.71827 0.00000 -1.16700
30 14D-2 0.00000 0.00000 0.00000 -0.71827 0.00000
31 15D 0 -0.19480 -0.26689 0.00000 0.00000 0.00000
32 15D+1 0.00000 0.00000 0.00000 -3.38851 0.00000
33 15D-1 0.00000 0.00000 3.38851 0.00000 1.39916
34 15D+2 0.00000 0.00000 2.46097 0.00000 1.24268
35 15D-2 0.00000 0.00000 0.00000 -2.46097 0.00000
36 16D 0 -0.26589 -0.27146 0.00000 0.00000 0.00000
37 16D+1 0.00000 0.00000 0.00000 0.47620 0.00000
38 16D-1 0.00000 0.00000 -0.47620 0.00000 0.14539
39 16D+2 0.00000 0.00000 -0.01389 0.00000 0.03432
40 16D-2 0.00000 0.00000 0.00000 0.01389 0.00000
41 17D 0 -0.05143 -0.04106 0.00000 0.00000 0.00000
42 17D+1 0.00000 0.00000 0.00000 -0.05038 0.00000
43 17D-1 0.00000 0.00000 0.05038 0.00000 0.07183
44 17D+2 0.00000 0.00000 0.07157 0.00000 0.05486
45 17D-2 0.00000 0.00000 0.00000 -0.07157 0.00000
46 18F 0 0.58814 -0.45239 0.00000 0.00000 0.00000
47 18F+1 0.00000 0.00000 0.00000 -0.60401 0.00000
48 18F-1 0.00000 0.00000 0.60401 0.00000 -0.54525
49 18F+2 0.00000 0.00000 0.37873 0.00000 0.58730
50 18F-2 0.00000 0.00000 0.00000 -0.37873 0.00000
51 18F+3 0.00000 0.00000 0.00000 0.00000 0.00000
52 18F-3 -1.57925 0.18153 0.00000 0.00000 0.00000
53 19F 0 1.18461 1.22090 0.00000 0.00000 0.00000
54 19F+1 0.00000 0.00000 0.00000 -0.33079 0.00000
55 19F-1 0.00000 0.00000 0.33079 0.00000 -2.19561
56 19F+2 0.00000 0.00000 -1.43982 0.00000 -2.34312
57 19F-2 0.00000 0.00000 0.00000 1.43982 0.00000
58 19F+3 0.00000 0.00000 0.00000 0.00000 0.00000
59 19F-3 -1.68702 -1.53477 0.00000 0.00000 0.00000
60 20F 0 -0.19303 -0.10200 0.00000 0.00000 0.00000
61 20F+1 0.00000 0.00000 0.00000 0.07145 0.00000
62 20F-1 0.00000 0.00000 -0.07145 0.00000 0.25325
63 20F+2 0.00000 0.00000 0.07977 0.00000 0.27720
64 20F-2 0.00000 0.00000 0.00000 -0.07977 0.00000
65 20F+3 0.00000 0.00000 0.00000 0.00000 0.00000
66 20F-3 0.26020 0.13315 0.00000 0.00000 0.00000
67 21G 0 0.04962 0.20190 0.00000 0.00000 0.00000
68 21G+1 0.00000 0.00000 0.00000 0.88186 0.00000
69 21G-1 0.00000 0.00000 -0.88186 0.00000 1.33958
70 21G+2 0.00000 0.00000 -0.37900 0.00000 1.37794
71 21G-2 0.00000 0.00000 0.00000 0.37900 0.00000
72 21G+3 0.00000 0.00000 0.00000 0.00000 0.00000
73 21G-3 1.96894 0.35726 0.00000 0.00000 0.00000
74 21G+4 0.00000 0.00000 -0.70145 0.00000 1.25732
75 21G-4 0.00000 0.00000 0.00000 -0.70145 0.00000
76 22G 0 -0.09186 -0.07985 0.00000 0.00000 0.00000
77 22G+1 0.00000 0.00000 0.00000 -0.00399 0.00000
78 22G-1 0.00000 0.00000 0.00399 0.00000 -0.09987
79 22G+2 0.00000 0.00000 0.10541 0.00000 -0.05040
80 22G-2 0.00000 0.00000 0.00000 -0.10541 0.00000
81 22G+3 0.00000 0.00000 0.00000 0.00000 0.00000
82 22G-3 -0.10331 0.07039 0.00000 0.00000 0.00000
83 22G+4 0.00000 0.00000 -0.01835 0.00000 -0.10291
84 22G-4 0.00000 0.00000 0.00000 -0.01835 0.00000
85 23H 0 -0.02757 -0.03529 0.00000 0.00000 0.00000
86 23H+1 0.00000 0.00000 0.00000 -0.08536 0.00000
87 23H-1 0.00000 0.00000 0.08536 0.00000 0.02229
88 23H+2 0.00000 0.00000 0.08204 0.00000 -0.11248
89 23H-2 0.00000 0.00000 0.00000 -0.08204 0.00000
90 23H+3 0.00000 0.00000 0.00000 0.00000 0.00000
91 23H-3 -0.17532 -0.01359 0.00000 0.00000 0.00000
92 23H+4 0.00000 0.00000 0.14249 0.00000 -0.07864
93 23H-4 0.00000 0.00000 0.00000 0.14249 0.00000
94 23H+5 0.00000 0.00000 0.00000 -0.05665 0.00000
95 23H-5 0.00000 0.00000 -0.05665 0.00000 -0.01890
96 2 H 1S -0.00332 -0.01594 0.02456 0.00000 0.01035
97 2S 0.43276 -0.15979 0.05458 0.00000 -0.10238
98 3S -4.06547 -0.73471 1.80300 0.00000 0.90695
99 4S -1.44705 -4.04129 6.72101 0.00000 -1.89919
100 5S -0.12478 0.37632 -1.21931 0.00000 0.08315
101 6PX 0.00000 0.00000 0.00000 -0.00409 0.00000
102 6PY -0.02017 0.02965 -0.03904 0.00000 -0.05703
103 6PZ -0.01082 -0.03717 0.06449 0.00000 -0.02268
104 7PX 0.00000 0.00000 0.00000 0.02765 0.00000
105 7PY 0.05950 -0.16440 0.24235 0.00000 0.32997
106 7PZ 0.08302 0.19700 -0.36483 0.00000 0.11928
107 8PX 0.00000 0.00000 0.00000 -0.21185 0.00000
108 8PY 0.57623 1.01041 -1.76120 0.00000 -2.38232
109 8PZ -1.00862 -1.16919 2.34877 0.00000 -0.73891
110 9PX 0.00000 0.00000 0.00000 -0.42389 0.00000
111 9PY 0.37883 1.85791 -2.33590 0.00000 -0.77678
112 9PZ -0.23402 -0.85492 2.28346 0.00000 -1.40455
113 10D 0 -0.01708 -0.00302 0.00036 0.00000 -0.00248
114 10D+1 0.00000 0.00000 0.00000 -0.00774 0.00000
115 10D-1 -0.04006 0.01140 -0.00395 0.00000 -0.00692
116 10D+2 -0.00947 0.01729 0.00070 0.00000 -0.00864
117 10D-2 0.00000 0.00000 0.00000 -0.00819 0.00000
118 11D 0 0.09336 0.01620 -0.00998 0.00000 0.03619
119 11D+1 0.00000 0.00000 0.00000 0.04441 0.00000
120 11D-1 0.25390 -0.06700 0.01953 0.00000 0.02096
121 11D+2 0.08669 -0.09624 -0.01225 0.00000 0.05554
122 11D-2 0.00000 0.00000 0.00000 0.03875 0.00000
123 12D 0 -0.53856 -0.15665 0.41863 0.00000 -1.59314
124 12D+1 0.00000 0.00000 0.00000 -0.44207 0.00000
125 12D-1 -0.59939 0.94113 -1.75652 0.00000 0.01237
126 12D+2 -0.00616 0.87658 -0.75358 0.00000 -1.48243
127 12D-2 0.00000 0.00000 0.00000 0.05975 0.00000
128 13F 0 0.00589 0.00090 -0.00316 0.00000 -0.00044
129 13F+1 0.00000 0.00000 0.00000 0.00580 0.00000
130 13F-1 0.00547 -0.00035 0.00295 0.00000 -0.01342
131 13F+2 0.00812 0.00091 -0.00448 0.00000 -0.00818
132 13F-2 0.00000 0.00000 0.00000 0.00066 0.00000
133 13F+3 0.00000 0.00000 0.00000 -0.00294 0.00000
134 13F-3 -0.00923 -0.00374 0.00226 0.00000 0.00134
135 14F 0 -0.03062 0.01276 -0.03825 0.00000 -0.05653
136 14F+1 0.00000 0.00000 0.00000 -0.04022 0.00000
137 14F-1 -0.01120 0.04015 -0.11460 0.00000 0.21324
138 14F+2 -0.02342 0.04409 -0.10545 0.00000 0.02513
139 14F-2 0.00000 0.00000 0.00000 0.01701 0.00000
140 14F+3 0.00000 0.00000 0.00000 0.03379 0.00000
141 14F-3 0.03223 -0.00228 0.04113 0.00000 0.07149
142 15G 0 -0.00183 0.00241 -0.00542 0.00000 0.00213
143 15G+1 0.00000 0.00000 0.00000 0.00105 0.00000
144 15G-1 0.00269 -0.00137 0.00267 0.00000 0.00784
145 15G+2 -0.00400 0.00293 -0.00764 0.00000 0.00622
146 15G-2 0.00000 0.00000 0.00000 0.00147 0.00000
147 15G+3 0.00000 0.00000 0.00000 0.00343 0.00000
148 15G-3 0.00198 -0.00475 0.00878 0.00000 -0.00047
149 15G+4 -0.00274 -0.00410 0.00251 0.00000 0.00576
150 15G-4 0.00000 0.00000 0.00000 -0.00169 0.00000
151 3 H 1S -0.00332 -0.01594 -0.01228 -0.02127 -0.00517
152 2S 0.43276 -0.15979 -0.02729 -0.04727 0.05119
153 3S -4.06547 -0.73471 -0.90150 -1.56144 -0.45347
154 4S -1.44705 -4.04129 -3.36051 -5.82057 0.94960
155 5S -0.12478 0.37632 0.60966 1.05596 -0.04157
156 6PX -0.01747 0.02568 0.01868 0.02826 0.01119
157 6PY 0.01009 -0.01482 -0.00669 -0.01868 -0.03765
158 6PZ -0.01082 -0.03717 -0.03224 -0.05585 0.01134
159 7PX 0.05153 -0.14238 -0.11691 -0.17485 -0.06745
160 7PY -0.02975 0.08220 0.03985 0.11691 0.21314
161 7PZ 0.08302 0.19700 0.18242 0.31595 -0.05964
162 8PX 0.49903 0.87504 0.85435 1.26794 0.51325
163 8PY -0.28811 -0.50521 -0.28142 -0.85435 -1.49335
164 8PZ -1.00862 -1.16919 -1.17438 -2.03409 0.36945
165 9PX 0.32807 1.60900 1.19502 1.64595 -0.02187
166 9PY -0.18941 -0.92896 -0.26606 -1.19502 -0.81466
167 9PZ -0.23402 -0.85492 -1.14173 -1.97753 0.70228
168 10D 0 -0.01708 -0.00302 -0.00018 -0.00031 0.00124
169 10D+1 -0.03469 0.00988 0.00506 0.00102 -0.00238
170 10D-1 0.02003 -0.00570 0.00482 -0.00506 -0.01105
171 10D+2 0.00474 -0.00865 0.00631 -0.00324 -0.00775
172 10D-2 -0.00820 0.01498 0.00324 -0.00257 0.00051
173 11D 0 0.09336 0.01620 0.00499 0.00864 -0.01809
174 11D+1 0.21988 -0.05803 -0.02769 -0.00355 0.02282
175 11D-1 -0.12695 0.03350 -0.02842 0.02769 0.06048
176 11D+2 -0.04335 0.04812 -0.03213 0.01148 0.02989
177 11D-2 0.07508 -0.08334 -0.01148 0.01888 -0.01481
178 12D 0 -0.53856 -0.15665 -0.20932 -0.36255 0.79657
179 12D+1 -0.51909 0.81504 0.95202 1.20687 -0.34196
180 12D-1 0.29970 -0.47056 -0.10758 -0.95202 -0.57992
181 12D+2 0.00308 -0.43829 -0.23321 -0.30044 0.34423
182 12D-2 -0.00533 0.75914 0.30044 0.58012 1.05463
183 13F 0 0.00589 0.00090 0.00158 0.00273 0.00022
184 13F+1 0.00474 -0.00030 -0.00379 -0.00076 0.00908
185 13F-1 -0.00274 0.00017 -0.00361 0.00379 0.00230
186 13F+2 -0.00406 -0.00045 -0.00161 -0.00165 -0.00006
187 13F-2 0.00703 0.00079 0.00165 0.00352 0.00469
188 13F+3 0.00000 0.00000 -0.00255 0.00147 0.01354
189 13F-3 -0.00923 -0.00374 -0.00113 -0.00195 -0.00067
190 14F 0 -0.03062 0.01276 0.01913 0.03313 0.02826
191 14F+1 -0.00970 0.03477 0.06704 0.07590 -0.11556
192 14F-1 0.00560 -0.02007 0.00151 -0.06704 0.01309
193 14F+2 0.01171 -0.02204 -0.03912 -0.03830 0.04631
194 14F-2 -0.02028 0.03818 0.03830 0.08334 0.01223
195 14F+3 0.00000 0.00000 0.02926 -0.01689 -0.15366
196 14F-3 0.03223 -0.00228 -0.02056 -0.03562 -0.03575
197 15G 0 -0.00183 0.00241 0.00271 0.00470 -0.00106
198 15G+1 0.00233 -0.00118 -0.00161 -0.00174 -0.00287
199 15G-1 -0.00135 0.00068 -0.00012 0.00161 0.00286
200 15G+2 0.00200 -0.00146 -0.00302 -0.00267 0.00338
201 15G-2 -0.00346 0.00254 0.00267 0.00610 -0.00164
202 15G+3 0.00000 0.00000 0.00297 -0.00172 -0.00504
203 15G-3 0.00198 -0.00475 -0.00439 -0.00761 0.00023
204 15G+4 0.00137 0.00205 -0.00064 0.00182 0.00461
205 15G-4 0.00237 0.00355 0.00182 0.00146 0.00067
206 4 H 1S -0.00332 -0.01594 -0.01228 0.02127 -0.00517
207 2S 0.43276 -0.15979 -0.02729 0.04727 0.05119
208 3S -4.06547 -0.73471 -0.90150 1.56144 -0.45347
209 4S -1.44705 -4.04129 -3.36051 5.82057 0.94960
210 5S -0.12478 0.37632 0.60966 -1.05596 -0.04157
211 6PX 0.01747 -0.02568 -0.01868 0.02826 -0.01119
212 6PY 0.01009 -0.01482 -0.00669 0.01868 -0.03765
213 6PZ -0.01082 -0.03717 -0.03224 0.05585 0.01134
214 7PX -0.05153 0.14238 0.11691 -0.17485 0.06745
215 7PY -0.02975 0.08220 0.03985 -0.11691 0.21314
216 7PZ 0.08302 0.19700 0.18242 -0.31595 -0.05964
217 8PX -0.49903 -0.87504 -0.85435 1.26794 -0.51325
218 8PY -0.28811 -0.50521 -0.28142 0.85435 -1.49335
219 8PZ -1.00862 -1.16919 -1.17438 2.03409 0.36945
220 9PX -0.32807 -1.60900 -1.19502 1.64595 0.02187
221 9PY -0.18941 -0.92896 -0.26606 1.19502 -0.81466
222 9PZ -0.23402 -0.85492 -1.14173 1.97753 0.70228
223 10D 0 -0.01708 -0.00302 -0.00018 0.00031 0.00124
224 10D+1 0.03469 -0.00988 -0.00506 0.00102 0.00238
225 10D-1 0.02003 -0.00570 0.00482 0.00506 -0.01105
226 10D+2 0.00474 -0.00865 0.00631 0.00324 -0.00775
227 10D-2 0.00820 -0.01498 -0.00324 -0.00257 -0.00051
228 11D 0 0.09336 0.01620 0.00499 -0.00864 -0.01809
229 11D+1 -0.21988 0.05803 0.02769 -0.00355 -0.02282
230 11D-1 -0.12695 0.03350 -0.02842 -0.02769 0.06048
231 11D+2 -0.04335 0.04812 -0.03213 -0.01148 0.02989
232 11D-2 -0.07508 0.08334 0.01148 0.01888 0.01481
233 12D 0 -0.53856 -0.15665 -0.20932 0.36255 0.79657
234 12D+1 0.51909 -0.81504 -0.95202 1.20687 0.34196
235 12D-1 0.29970 -0.47056 -0.10758 0.95202 -0.57992
236 12D+2 0.00308 -0.43829 -0.23321 0.30044 0.34423
237 12D-2 0.00533 -0.75914 -0.30044 0.58012 -1.05463
238 13F 0 0.00589 0.00090 0.00158 -0.00273 0.00022
239 13F+1 -0.00474 0.00030 0.00379 -0.00076 -0.00908
240 13F-1 -0.00274 0.00017 -0.00361 -0.00379 0.00230
241 13F+2 -0.00406 -0.00045 -0.00161 0.00165 -0.00006
242 13F-2 -0.00703 -0.00079 -0.00165 0.00352 -0.00469
243 13F+3 0.00000 0.00000 0.00255 0.00147 -0.01354
244 13F-3 -0.00923 -0.00374 -0.00113 0.00195 -0.00067
245 14F 0 -0.03062 0.01276 0.01913 -0.03313 0.02826
246 14F+1 0.00970 -0.03477 -0.06704 0.07590 0.11556
247 14F-1 0.00560 -0.02007 0.00151 0.06704 0.01309
248 14F+2 0.01171 -0.02204 -0.03912 0.03830 0.04631
249 14F-2 0.02028 -0.03818 -0.03830 0.08334 -0.01223
250 14F+3 0.00000 0.00000 -0.02926 -0.01689 0.15366
251 14F-3 0.03223 -0.00228 -0.02056 0.03562 -0.03575
252 15G 0 -0.00183 0.00241 0.00271 -0.00470 -0.00106
253 15G+1 -0.00233 0.00118 0.00161 -0.00174 0.00287
254 15G-1 -0.00135 0.00068 -0.00012 -0.00161 0.00286
255 15G+2 0.00200 -0.00146 -0.00302 0.00267 0.00338
256 15G-2 0.00346 -0.00254 -0.00267 0.00610 0.00164
257 15G+3 0.00000 0.00000 -0.00297 -0.00172 0.00504
258 15G-3 0.00198 -0.00475 -0.00439 0.00761 0.00023
259 15G+4 0.00137 0.00205 -0.00064 -0.00182 0.00461
260 15G-4 -0.00237 -0.00355 -0.00182 0.00146 -0.00067
91 92 93 94 95
(E)--V (A2)--V (E)--V (E)--V (A1)--V
Eigenvalues -- 2.99845 3.14563 3.37570 3.37570 3.46557
1 1 P 1S 0.00000 0.00000 0.00000 0.00000 0.00313
2 2S 0.00000 0.00000 0.00000 0.00000 -0.00567
3 3S 0.00000 0.00000 0.00000 0.00000 0.05596
4 4S 0.00000 0.00000 0.00000 0.00000 0.28306
5 5S 0.00000 0.00000 0.00000 0.00000 -0.98275
6 6S 0.00000 0.00000 0.00000 0.00000 2.77595
7 7S 0.00000 0.00000 0.00000 0.00000 1.00127
8 8PX 0.04301 0.00000 0.00000 -0.04133 0.00000
9 8PY 0.00000 0.00000 -0.04133 0.00000 0.00000
10 8PZ 0.00000 0.00000 0.00000 0.00000 0.06728
11 9PX -0.01021 0.00000 0.00000 0.04162 0.00000
12 9PY 0.00000 0.00000 0.04162 0.00000 0.00000
13 9PZ 0.00000 0.00000 0.00000 0.00000 -0.25130
14 10PX 0.20729 0.00000 0.00000 -0.19172 0.00000
15 10PY 0.00000 0.00000 -0.19172 0.00000 0.00000
16 10PZ 0.00000 0.00000 0.00000 0.00000 -0.79255
17 11PX -2.17303 0.00000 0.00000 0.86691 0.00000
18 11PY 0.00000 0.00000 0.86691 0.00000 0.00000
19 11PZ 0.00000 0.00000 0.00000 0.00000 0.75424
20 12PX 4.87959 0.00000 0.00000 4.80589 0.00000
21 12PY 0.00000 0.00000 4.80589 0.00000 0.00000
22 12PZ 0.00000 0.00000 0.00000 0.00000 -2.25615
23 13PX 0.08078 0.00000 0.00000 -0.21228 0.00000
24 13PY 0.00000 0.00000 -0.21228 0.00000 0.00000
25 13PZ 0.00000 0.00000 0.00000 0.00000 0.11258
26 14D 0 0.00000 0.00000 0.00000 0.00000 0.06064
27 14D+1 -1.19463 0.00000 0.00000 -1.78216 0.00000
28 14D-1 0.00000 0.00000 -1.78216 0.00000 0.00000
29 14D+2 0.00000 0.00000 -0.83989 0.00000 0.00000
30 14D-2 -1.16700 0.00000 0.00000 -0.83989 0.00000
31 15D 0 0.00000 0.00000 0.00000 0.00000 0.99866
32 15D+1 1.39916 0.00000 0.00000 -3.30492 0.00000
33 15D-1 0.00000 0.00000 -3.30492 0.00000 0.00000
34 15D+2 0.00000 0.00000 -1.46738 0.00000 0.00000
35 15D-2 1.24268 0.00000 0.00000 -1.46738 0.00000
36 16D 0 0.00000 0.00000 0.00000 0.00000 -0.44845
37 16D+1 0.14539 0.00000 0.00000 1.14329 0.00000
38 16D-1 0.00000 0.00000 1.14329 0.00000 0.00000
39 16D+2 0.00000 0.00000 0.39155 0.00000 0.00000
40 16D-2 0.03432 0.00000 0.00000 0.39155 0.00000
41 17D 0 0.00000 0.00000 0.00000 0.00000 -0.01597
42 17D+1 0.07183 0.00000 0.00000 0.04716 0.00000
43 17D-1 0.00000 0.00000 0.04716 0.00000 0.00000
44 17D+2 0.00000 0.00000 0.03157 0.00000 0.00000
45 17D-2 0.05486 0.00000 0.00000 0.03157 0.00000
46 18F 0 0.00000 0.00000 0.00000 0.00000 0.10852
47 18F+1 -0.54525 0.00000 0.00000 0.61562 0.00000
48 18F-1 0.00000 0.00000 0.61562 0.00000 0.00000
49 18F+2 0.00000 0.00000 0.65119 0.00000 0.00000
50 18F-2 0.58730 0.00000 0.00000 0.65119 0.00000
51 18F+3 0.00000 -1.67845 0.00000 0.00000 0.00000
52 18F-3 0.00000 0.00000 0.00000 0.00000 0.16093
53 19F 0 0.00000 0.00000 0.00000 0.00000 -0.31362
54 19F+1 -2.19561 0.00000 0.00000 0.79576 0.00000
55 19F-1 0.00000 0.00000 0.79576 0.00000 0.00000
56 19F+2 0.00000 0.00000 1.05815 0.00000 0.00000
57 19F-2 -2.34312 0.00000 0.00000 1.05815 0.00000
58 19F+3 0.00000 -2.90807 0.00000 0.00000 0.00000
59 19F-3 0.00000 0.00000 0.00000 0.00000 0.34470
60 20F 0 0.00000 0.00000 0.00000 0.00000 -0.11243
61 20F+1 0.25325 0.00000 0.00000 -0.00364 0.00000
62 20F-1 0.00000 0.00000 -0.00364 0.00000 0.00000
63 20F+2 0.00000 0.00000 0.07844 0.00000 0.00000
64 20F-2 0.27720 0.00000 0.00000 0.07844 0.00000
65 20F+3 0.00000 0.26489 0.00000 0.00000 0.00000
66 20F-3 0.00000 0.00000 0.00000 0.00000 0.17397
67 21G 0 0.00000 0.00000 0.00000 0.00000 -0.16220
68 21G+1 1.33958 0.00000 0.00000 0.12645 0.00000
69 21G-1 0.00000 0.00000 0.12645 0.00000 0.00000
70 21G+2 0.00000 0.00000 -0.82572 0.00000 0.00000
71 21G-2 1.37794 0.00000 0.00000 -0.82572 0.00000
72 21G+3 0.00000 2.98816 0.00000 0.00000 0.00000
73 21G-3 0.00000 0.00000 0.00000 0.00000 -0.71810
74 21G+4 0.00000 0.00000 0.22864 0.00000 0.00000
75 21G-4 -1.25732 0.00000 0.00000 -0.22864 0.00000
76 22G 0 0.00000 0.00000 0.00000 0.00000 -0.02468
77 22G+1 -0.09987 0.00000 0.00000 0.05760 0.00000
78 22G-1 0.00000 0.00000 0.05760 0.00000 0.00000
79 22G+2 0.00000 0.00000 0.00986 0.00000 0.00000
80 22G-2 -0.05040 0.00000 0.00000 0.00986 0.00000
81 22G+3 0.00000 -0.18601 0.00000 0.00000 0.00000
82 22G-3 0.00000 0.00000 0.00000 0.00000 0.08391
83 22G+4 0.00000 0.00000 0.06117 0.00000 0.00000
84 22G-4 0.10291 0.00000 0.00000 -0.06117 0.00000
85 23H 0 0.00000 0.00000 0.00000 0.00000 -0.09109
86 23H+1 0.02229 0.00000 0.00000 0.01654 0.00000
87 23H-1 0.00000 0.00000 0.01654 0.00000 0.00000
88 23H+2 0.00000 0.00000 -0.04862 0.00000 0.00000
89 23H-2 -0.11248 0.00000 0.00000 -0.04862 0.00000
90 23H+3 0.00000 -0.17384 0.00000 0.00000 0.00000
91 23H-3 0.00000 0.00000 0.00000 0.00000 -0.22544
92 23H+4 0.00000 0.00000 -0.09830 0.00000 0.00000
93 23H-4 0.07864 0.00000 0.00000 0.09830 0.00000
94 23H+5 0.01890 0.00000 0.00000 0.05727 0.00000
95 23H-5 0.00000 0.00000 -0.05727 0.00000 0.00000
96 2 H 1S 0.00000 0.00000 -0.01889 0.00000 -0.00190
97 2S 0.00000 0.00000 -0.09909 0.00000 0.71886
98 3S 0.00000 0.00000 -2.89974 0.00000 -0.54612
99 4S 0.00000 0.00000 -3.80501 0.00000 -0.91305
100 5S 0.00000 0.00000 0.58912 0.00000 -0.16602
101 6PX -0.03119 -0.05344 0.00000 0.00446 0.00000
102 6PY 0.00000 0.00000 0.03239 0.00000 -0.00505
103 6PZ 0.00000 0.00000 -0.00917 0.00000 0.02022
104 7PX 0.17420 0.29938 0.00000 -0.02322 0.00000
105 7PY 0.00000 0.00000 -0.25194 0.00000 0.03803
106 7PZ 0.00000 0.00000 0.10080 0.00000 -0.11343
107 8PX -1.19703 -2.07902 0.00000 0.07642 0.00000
108 8PY 0.00000 0.00000 1.87774 0.00000 -0.09042
109 8PZ 0.00000 0.00000 -0.65302 0.00000 0.51898
110 9PX -0.82728 -1.54783 0.00000 -0.30650 0.00000
111 9PY 0.00000 0.00000 1.26772 0.00000 0.78831
112 9PZ 0.00000 0.00000 -0.08641 0.00000 -0.30588
113 10D 0 0.00000 0.00000 0.00551 0.00000 0.00988
114 10D+1 -0.01242 -0.01647 0.00000 0.00675 0.00000
115 10D-1 0.00000 0.00000 -0.04975 0.00000 0.00831
116 10D+2 0.00000 0.00000 -0.03667 0.00000 0.00690
117 10D-2 -0.00746 -0.00711 0.00000 -0.00017 0.00000
118 11D 0 0.00000 0.00000 -0.03561 0.00000 -0.06472
119 11D+1 0.07366 0.10419 0.00000 -0.02665 0.00000
120 11D-1 0.00000 0.00000 0.27269 0.00000 -0.01969
121 11D+2 0.00000 0.00000 0.19249 0.00000 -0.02886
122 11D-2 0.02134 0.01105 0.00000 0.00011 0.00000
123 12D 0 0.00000 0.00000 0.54670 0.00000 0.32719
124 12D+1 -0.77735 -1.27309 0.00000 -0.09183 0.00000
125 12D-1 0.00000 0.00000 -0.08991 0.00000 0.01538
126 12D+2 0.00000 0.00000 0.38022 0.00000 0.11723
127 12D-2 0.95312 1.39567 0.00000 0.09774 0.00000
128 13F 0 0.00000 0.00000 0.00110 0.00000 0.03288
129 13F+1 0.00754 -0.01171 0.00000 -0.01822 0.00000
130 13F-1 0.00000 0.00000 -0.00316 0.00000 0.02881
131 13F+2 0.00000 0.00000 -0.04015 0.00000 -0.00392
132 13F-2 0.00264 -0.00810 0.00000 -0.03501 0.00000
133 13F+3 -0.01563 -0.00838 0.00000 0.02610 0.00000
134 13F-3 0.00000 0.00000 0.00557 0.00000 -0.02793
135 14F 0 0.00000 0.00000 0.06571 0.00000 -0.21698
136 14F+1 -0.05363 0.07084 0.00000 0.10576 0.00000
137 14F-1 0.00000 0.00000 0.04070 0.00000 -0.21420
138 14F+2 0.00000 0.00000 0.39209 0.00000 0.01786
139 14F-2 0.05337 0.15376 0.00000 0.25702 0.00000
140 14F+3 0.17743 0.16776 0.00000 -0.16518 0.00000
141 14F-3 0.00000 0.00000 -0.12876 0.00000 0.18047
142 15G 0 0.00000 0.00000 0.00090 0.00000 -0.00186
143 15G+1 0.00120 0.00353 0.00000 0.00064 0.00000
144 15G-1 0.00000 0.00000 -0.00480 0.00000 -0.00232
145 15G+2 0.00000 0.00000 0.00098 0.00000 -0.00370
146 15G-2 0.00243 0.00266 0.00000 0.00306 0.00000
147 15G+3 0.00581 0.00896 0.00000 0.00498 0.00000
148 15G-3 0.00000 0.00000 -0.00438 0.00000 -0.00061
149 15G+4 0.00000 0.00000 -0.00356 0.00000 0.00146
150 15G-4 -0.00422 -0.00474 0.00000 -0.00117 0.00000
151 3 H 1S 0.00896 0.00000 0.00944 -0.01636 -0.00190
152 2S -0.08866 0.00000 0.04954 -0.08581 0.71886
153 3S 0.78544 0.00000 1.44987 -2.51125 -0.54612
154 4S -1.64475 0.00000 1.90250 -3.29524 -0.91305
155 5S 0.07201 0.00000 -0.29456 0.51019 -0.16602
156 6PX -0.05057 0.02672 -0.01209 0.02541 -0.00437
157 6PY 0.01119 0.04628 0.01144 -0.01209 0.00253
158 6PZ -0.01964 0.00000 0.00458 -0.00794 0.02022
159 7PX 0.29103 -0.14969 0.09904 -0.19476 0.03293
160 7PY -0.06745 -0.25927 -0.08040 0.09904 -0.01901
161 7PZ 0.10330 0.00000 -0.05040 0.08729 -0.11343
162 8PX -2.08600 1.03951 -0.78000 1.42741 -0.07831
163 8PY 0.51325 1.80048 0.52675 -0.78000 0.04521
164 8PZ -0.63991 0.00000 0.32651 -0.56553 0.51898
165 9PX -0.78941 0.77391 -0.68165 0.87417 0.68270
166 9PY -0.02187 1.34046 0.08706 -0.68165 -0.39415
167 9PZ -1.21638 0.00000 0.04321 -0.07484 -0.30588
168 10D 0 -0.00215 0.00000 -0.00275 0.00477 0.00988
169 10D+1 -0.00830 0.00824 0.02447 -0.03563 0.00720
170 10D-1 -0.00238 0.01426 -0.00738 0.02447 -0.00416
171 10D+2 0.00051 0.00616 -0.00930 0.01580 -0.00345
172 10D-2 -0.00835 0.00355 0.01580 -0.02755 0.00597
173 11D 0 0.03134 0.00000 0.01781 -0.03084 -0.06472
174 11D+1 0.03413 -0.05210 -0.12962 0.19786 -0.01705
175 11D-1 0.02282 -0.09023 0.04818 -0.12962 0.00984
176 11D+2 -0.01481 -0.00957 0.04820 -0.08330 0.01443
177 11D-2 0.04699 -0.00552 -0.08330 0.14439 -0.02499
178 12D 0 -1.37970 0.00000 -0.27335 0.47346 0.32719
179 12D+1 -0.18506 0.63655 -0.00083 -0.09039 0.01332
180 12D-1 -0.34196 1.10253 -0.09135 -0.00083 -0.00769
181 12D+2 1.05463 -1.20869 0.16836 -0.12232 -0.05861
182 12D-2 -0.87354 -0.69784 -0.12232 0.30960 0.10152
183 13F 0 -0.00038 0.00000 -0.00055 0.00095 0.03288
184 13F+1 -0.00818 0.00585 -0.00652 -0.00693 0.02495
185 13F-1 0.00908 0.01014 -0.01445 -0.00652 -0.01440
186 13F+2 0.00469 0.00701 -0.03630 0.00223 0.00196
187 13F-2 -0.00547 0.00405 0.00223 -0.03887 -0.00340
188 13F+3 0.00782 -0.00838 -0.02260 -0.01305 0.00000
189 13F-3 0.00116 0.00000 -0.00278 0.00482 -0.02793
190 14F 0 -0.04895 0.00000 -0.03285 0.05691 -0.21698
191 14F+1 0.14652 -0.03542 0.02817 0.05696 -0.18550
192 14F-1 -0.11556 -0.06135 0.08949 0.02817 0.10710
193 14F+2 0.01223 -0.13316 0.29079 -0.05849 -0.00893
194 14F-2 0.03219 -0.07688 -0.05849 0.35832 0.01547
195 14F+3 -0.08871 0.16776 0.14305 0.08259 0.00000
196 14F-3 0.06191 0.00000 0.06438 -0.11151 0.18047
197 15G 0 0.00184 0.00000 -0.00045 0.00078 -0.00186
198 15G+1 0.00618 -0.00176 0.00236 -0.00344 -0.00201
199 15G-1 -0.00287 -0.00305 -0.00072 0.00236 0.00116
200 15G+2 -0.00164 -0.00230 0.00254 0.00090 0.00185
201 15G-2 0.00527 -0.00133 0.00090 0.00150 -0.00320
202 15G+3 -0.00291 0.00896 -0.00432 -0.00249 0.00000
203 15G-3 -0.00041 0.00000 0.00219 -0.00379 -0.00061
204 15G+4 -0.00067 -0.00410 -0.00002 0.00205 -0.00073
205 15G-4 -0.00537 0.00237 -0.00205 0.00238 -0.00126
206 4 H 1S -0.00896 0.00000 0.00944 0.01636 -0.00190
207 2S 0.08866 0.00000 0.04954 0.08581 0.71886
208 3S -0.78544 0.00000 1.44987 2.51125 -0.54612
209 4S 1.64475 0.00000 1.90250 3.29524 -0.91305
210 5S -0.07201 0.00000 -0.29456 -0.51019 -0.16602
211 6PX -0.05057 0.02672 0.01209 0.02541 0.00437
212 6PY -0.01119 -0.04628 0.01144 0.01209 0.00253
213 6PZ 0.01964 0.00000 0.00458 0.00794 0.02022
214 7PX 0.29103 -0.14969 -0.09904 -0.19476 -0.03293
215 7PY 0.06745 0.25927 -0.08040 -0.09904 -0.01901
216 7PZ -0.10330 0.00000 -0.05040 -0.08729 -0.11343
217 8PX -2.08600 1.03951 0.78000 1.42741 0.07831
218 8PY -0.51325 -1.80048 0.52675 0.78000 0.04521
219 8PZ 0.63991 0.00000 0.32651 0.56553 0.51898
220 9PX -0.78941 0.77391 0.68165 0.87417 -0.68270
221 9PY 0.02187 -1.34046 0.08706 0.68165 -0.39415
222 9PZ 1.21638 0.00000 0.04321 0.07484 -0.30588
223 10D 0 0.00215 0.00000 -0.00275 -0.00477 0.00988
224 10D+1 -0.00830 0.00824 -0.02447 -0.03563 -0.00720
225 10D-1 0.00238 -0.01426 -0.00738 -0.02447 -0.00416
226 10D+2 -0.00051 -0.00616 -0.00930 -0.01580 -0.00345
227 10D-2 -0.00835 0.00355 -0.01580 -0.02755 -0.00597
228 11D 0 -0.03134 0.00000 0.01781 0.03084 -0.06472
229 11D+1 0.03413 -0.05210 0.12962 0.19786 0.01705
230 11D-1 -0.02282 0.09023 0.04818 0.12962 0.00984
231 11D+2 0.01481 0.00957 0.04820 0.08330 0.01443
232 11D-2 0.04699 -0.00552 0.08330 0.14439 0.02499
233 12D 0 1.37970 0.00000 -0.27335 -0.47346 0.32719
234 12D+1 -0.18506 0.63655 0.00083 -0.09039 -0.01332
235 12D-1 0.34196 -1.10253 -0.09135 0.00083 -0.00769
236 12D+2 -1.05463 1.20869 0.16836 0.12232 -0.05861
237 12D-2 -0.87354 -0.69784 0.12232 0.30960 -0.10152
238 13F 0 0.00038 0.00000 -0.00055 -0.00095 0.03288
239 13F+1 -0.00818 0.00585 0.00652 -0.00693 -0.02495
240 13F-1 -0.00908 -0.01014 -0.01445 0.00652 -0.01440
241 13F+2 -0.00469 -0.00701 -0.03630 -0.00223 0.00196
242 13F-2 -0.00547 0.00405 -0.00223 -0.03887 0.00340
243 13F+3 0.00782 -0.00838 0.02260 -0.01305 0.00000
244 13F-3 -0.00116 0.00000 -0.00278 -0.00482 -0.02793
245 14F 0 0.04895 0.00000 -0.03285 -0.05691 -0.21698
246 14F+1 0.14652 -0.03542 -0.02817 0.05696 0.18550
247 14F-1 0.11556 0.06135 0.08949 -0.02817 0.10710
248 14F+2 -0.01223 0.13316 0.29079 0.05849 -0.00893
249 14F-2 0.03219 -0.07688 0.05849 0.35832 -0.01547
250 14F+3 -0.08871 0.16776 -0.14305 0.08259 0.00000
251 14F-3 -0.06191 0.00000 0.06438 0.11151 0.18047
252 15G 0 -0.00184 0.00000 -0.00045 -0.00078 -0.00186
253 15G+1 0.00618 -0.00176 -0.00236 -0.00344 0.00201
254 15G-1 0.00287 0.00305 -0.00072 -0.00236 0.00116
255 15G+2 0.00164 0.00230 0.00254 -0.00090 0.00185
256 15G-2 0.00527 -0.00133 -0.00090 0.00150 0.00320
257 15G+3 -0.00291 0.00896 0.00432 -0.00249 0.00000
258 15G-3 0.00041 0.00000 0.00219 0.00379 -0.00061
259 15G+4 0.00067 0.00410 -0.00002 -0.00205 -0.00073
260 15G-4 -0.00537 0.00237 0.00205 0.00238 0.00126
96 97 98 99 100
(E)--V (E)--V (A1)--V (E)--V (E)--V
Eigenvalues -- 3.49275 3.49275 3.52415 3.60549 3.60549
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2 2S 0.00000 0.00000 -0.02109 0.00000 0.00000
3 3S 0.00000 0.00000 0.11107 0.00000 0.00000
4 4S 0.00000 0.00000 0.26380 0.00000 0.00000
5 5S 0.00000 0.00000 -3.95006 0.00000 0.00000
6 6S 0.00000 0.00000 12.77052 0.00000 0.00000
7 7S 0.00000 0.00000 1.98994 0.00000 0.00000
8 8PX 0.00000 -0.12473 0.00000 0.00000 -0.04975
9 8PY -0.12473 0.00000 0.00000 -0.04975 0.00000
10 8PZ 0.00000 0.00000 0.06419 0.00000 0.00000
11 9PX 0.00000 0.18607 0.00000 0.00000 0.06312
12 9PY 0.18607 0.00000 0.00000 0.06312 0.00000
13 9PZ 0.00000 0.00000 -0.14506 0.00000 0.00000
14 10PX 0.00000 0.12358 0.00000 0.00000 0.06524
15 10PY 0.12358 0.00000 0.00000 0.06524 0.00000
16 10PZ 0.00000 0.00000 -0.31502 0.00000 0.00000
17 11PX 0.00000 1.34751 0.00000 0.00000 -0.11168
18 11PY 1.34751 0.00000 0.00000 -0.11168 0.00000
19 11PZ 0.00000 0.00000 -0.38113 0.00000 0.00000
20 12PX 0.00000 12.44475 0.00000 0.00000 8.92400
21 12PY 12.44475 0.00000 0.00000 8.92400 0.00000
22 12PZ 0.00000 0.00000 -3.63248 0.00000 0.00000
23 13PX 0.00000 0.24809 0.00000 0.00000 0.45263
24 13PY 0.24809 0.00000 0.00000 0.45263 0.00000
25 13PZ 0.00000 0.00000 -0.13734 0.00000 0.00000
26 14D 0 0.00000 0.00000 -0.83444 0.00000 0.00000
27 14D+1 0.00000 -4.33050 0.00000 0.00000 -4.21602
28 14D-1 -4.33050 0.00000 0.00000 -4.21602 0.00000
29 14D+2 -3.68721 0.00000 0.00000 -1.42930 0.00000
30 14D-2 0.00000 -3.68721 0.00000 0.00000 -1.42930
31 15D 0 0.00000 0.00000 -2.83870 0.00000 0.00000
32 15D+1 0.00000 -3.34001 0.00000 0.00000 -2.87293
33 15D-1 -3.34001 0.00000 0.00000 -2.87293 0.00000
34 15D+2 -4.59223 0.00000 0.00000 0.42787 0.00000
35 15D-2 0.00000 -4.59223 0.00000 0.00000 0.42787
36 16D 0 0.00000 0.00000 1.32334 0.00000 0.00000
37 16D+1 0.00000 0.50678 0.00000 0.00000 0.96712
38 16D-1 0.50678 0.00000 0.00000 0.96712 0.00000
39 16D+2 1.38463 0.00000 0.00000 -0.47069 0.00000
40 16D-2 0.00000 1.38463 0.00000 0.00000 -0.47069
41 17D 0 0.00000 0.00000 0.04072 0.00000 0.00000
42 17D+1 0.00000 -0.05297 0.00000 0.00000 0.00075
43 17D-1 -0.05297 0.00000 0.00000 0.00075 0.00000
44 17D+2 -0.00591 0.00000 0.00000 -0.04297 0.00000
45 17D-2 0.00000 -0.00591 0.00000 0.00000 -0.04297
46 18F 0 0.00000 0.00000 0.64166 0.00000 0.00000
47 18F+1 0.00000 0.43124 0.00000 0.00000 1.39218
48 18F-1 0.43124 0.00000 0.00000 1.39218 0.00000
49 18F+2 1.79115 0.00000 0.00000 0.57937 0.00000
50 18F-2 0.00000 1.79115 0.00000 0.00000 0.57937
51 18F+3 0.00000 0.00000 0.00000 0.00000 0.00000
52 18F-3 0.00000 0.00000 -0.90634 0.00000 0.00000
53 19F 0 0.00000 0.00000 1.05832 0.00000 0.00000
54 19F+1 0.00000 0.33224 0.00000 0.00000 0.67864
55 19F-1 0.33224 0.00000 0.00000 0.67864 0.00000
56 19F+2 1.99302 0.00000 0.00000 0.32471 0.00000
57 19F-2 0.00000 1.99302 0.00000 0.00000 0.32471
58 19F+3 0.00000 0.00000 0.00000 0.00000 0.00000
59 19F-3 0.00000 0.00000 -1.39687 0.00000 0.00000
60 20F 0 0.00000 0.00000 -0.12456 0.00000 0.00000
61 20F+1 0.00000 -0.12313 0.00000 0.00000 -0.07881
62 20F-1 -0.12313 0.00000 0.00000 -0.07881 0.00000
63 20F+2 -0.27419 0.00000 0.00000 -0.27999 0.00000
64 20F-2 0.00000 -0.27419 0.00000 0.00000 -0.27999
65 20F+3 0.00000 0.00000 0.00000 0.00000 0.00000
66 20F-3 0.00000 0.00000 0.12749 0.00000 0.00000
67 21G 0 0.00000 0.00000 0.35753 0.00000 0.00000
68 21G+1 0.00000 0.30983 0.00000 0.00000 -0.32857
69 21G-1 0.30983 0.00000 0.00000 -0.32857 0.00000
70 21G+2 -0.43826 0.00000 0.00000 -0.32894 0.00000
71 21G-2 0.00000 -0.43826 0.00000 0.00000 -0.32894
72 21G+3 0.00000 0.00000 0.00000 0.00000 0.00000
73 21G-3 0.00000 0.00000 0.60394 0.00000 0.00000
74 21G+4 0.01098 0.00000 0.00000 0.20715 0.00000
75 21G-4 0.00000 -0.01098 0.00000 0.00000 -0.20715
76 22G 0 0.00000 0.00000 -0.09840 0.00000 0.00000
77 22G+1 0.00000 0.10638 0.00000 0.00000 0.06352
78 22G-1 0.10638 0.00000 0.00000 0.06352 0.00000
79 22G+2 -0.10736 0.00000 0.00000 -0.02470 0.00000
80 22G-2 0.00000 -0.10736 0.00000 0.00000 -0.02470
81 22G+3 0.00000 0.00000 0.00000 0.00000 0.00000
82 22G-3 0.00000 0.00000 0.06170 0.00000 0.00000
83 22G+4 0.16434 0.00000 0.00000 0.03347 0.00000
84 22G-4 0.00000 -0.16434 0.00000 0.00000 -0.03347
85 23H 0 0.00000 0.00000 0.12325 0.00000 0.00000
86 23H+1 0.00000 -0.20298 0.00000 0.00000 -0.14118
87 23H-1 -0.20298 0.00000 0.00000 -0.14118 0.00000
88 23H+2 -0.01184 0.00000 0.00000 0.00608 0.00000
89 23H-2 0.00000 -0.01184 0.00000 0.00000 0.00608
90 23H+3 0.00000 0.00000 0.00000 0.00000 0.00000
91 23H-3 0.00000 0.00000 -0.17186 0.00000 0.00000
92 23H+4 -0.28296 0.00000 0.00000 -0.11534 0.00000
93 23H-4 0.00000 0.28296 0.00000 0.00000 0.11534
94 23H+5 0.00000 -0.03523 0.00000 0.00000 -0.15168
95 23H-5 0.03523 0.00000 0.00000 0.15168 0.00000
96 2 H 1S -0.02897 0.00000 -0.00786 -0.00968 0.00000
97 2S 1.61150 0.00000 0.53109 1.22201 0.00000
98 3S -6.40217 0.00000 -2.31894 -3.84876 0.00000
99 4S -11.61686 0.00000 -3.37096 -6.93549 0.00000
100 5S 0.29008 0.00000 -0.07945 -0.05991 0.00000
101 6PX 0.00000 0.00722 0.00000 0.00000 -0.00870
102 6PY 0.00809 0.00000 -0.00326 -0.00405 0.00000
103 6PZ -0.01319 0.00000 -0.01329 0.01283 0.00000
104 7PX 0.00000 -0.02975 0.00000 0.00000 0.03384
105 7PY -0.15157 0.00000 -0.01353 -0.01828 0.00000
106 7PZ 0.13417 0.00000 0.07702 -0.04009 0.00000
107 8PX 0.00000 0.52962 0.00000 0.00000 -0.35165
108 8PY 1.87028 0.00000 0.34873 0.97453 0.00000
109 8PZ -1.33858 0.00000 -0.96291 0.12083 0.00000
110 9PX 0.00000 0.53512 0.00000 0.00000 -1.38004
111 9PY 4.49993 0.00000 1.11842 3.03647 0.00000
112 9PZ -3.11818 0.00000 -1.68465 -0.80093 0.00000
113 10D 0 -0.01627 0.00000 -0.01499 0.00057 0.00000
114 10D+1 0.00000 0.00082 0.00000 0.00000 -0.00037
115 10D-1 -0.03418 0.00000 0.00411 -0.01786 0.00000
116 10D+2 -0.03211 0.00000 -0.00988 -0.01116 0.00000
117 10D-2 0.00000 -0.00848 0.00000 0.00000 0.03115
118 11D 0 0.09673 0.00000 0.10203 -0.01478 0.00000
119 11D+1 0.00000 -0.01487 0.00000 0.00000 0.01370
120 11D-1 0.21935 0.00000 -0.01471 0.14018 0.00000
121 11D+2 0.21102 0.00000 0.07620 0.07913 0.00000
122 11D-2 0.00000 0.05799 0.00000 0.00000 -0.18829
123 12D 0 -0.09903 0.00000 -0.75613 0.62486 0.00000
124 12D+1 0.00000 0.44970 0.00000 0.00000 -0.20453
125 12D-1 1.05573 0.00000 0.73259 -0.05582 0.00000
126 12D+2 0.63934 0.00000 -0.09657 0.54938 0.00000
127 12D-2 0.00000 -0.60711 0.00000 0.00000 0.99742
128 13F 0 0.01136 0.00000 0.00295 -0.00582 0.00000
129 13F+1 0.00000 -0.00521 0.00000 0.00000 0.02197
130 13F-1 0.01451 0.00000 0.00298 -0.00406 0.00000
131 13F+2 0.00559 0.00000 0.01868 0.03655 0.00000
132 13F-2 0.00000 -0.00355 0.00000 0.00000 -0.00495
133 13F+3 0.00000 -0.00173 0.00000 0.00000 0.02370
134 13F-3 -0.02210 0.00000 0.00076 0.00971 0.00000
135 14F 0 0.02394 0.00000 -0.00968 0.08514 0.00000
136 14F+1 0.00000 0.02907 0.00000 0.00000 -0.16540
137 14F-1 -0.03863 0.00000 0.01512 0.01274 0.00000
138 14F+2 0.13955 0.00000 -0.08942 -0.18740 0.00000
139 14F-2 0.00000 0.01644 0.00000 0.00000 0.05674
140 14F+3 0.00000 -0.00714 0.00000 0.00000 -0.16409
141 14F-3 0.04829 0.00000 -0.02173 -0.13546 0.00000
142 15G 0 0.00514 0.00000 0.00402 -0.00122 0.00000
143 15G+1 0.00000 -0.00056 0.00000 0.00000 0.00153
144 15G-1 0.00000 0.00000 0.00488 -0.00466 0.00000
145 15G+2 0.00802 0.00000 0.00666 -0.00330 0.00000
146 15G-2 0.00000 -0.00099 0.00000 0.00000 0.00192
147 15G+3 0.00000 -0.00293 0.00000 0.00000 0.00835
148 15G-3 -0.00519 0.00000 0.00003 -0.00262 0.00000
149 15G+4 -0.00243 0.00000 0.00087 -0.00376 0.00000
150 15G-4 0.00000 0.00319 0.00000 0.00000 -0.00737
151 3 H 1S 0.01449 -0.02509 -0.00786 0.00484 -0.00838
152 2S -0.80575 1.39560 0.53109 -0.61101 1.05829
153 3S 3.20108 -5.54444 -2.31894 1.92438 -3.33313
154 4S 5.80843 -10.06050 -3.37096 3.46775 -6.00631
155 5S -0.14504 0.25122 -0.07945 0.02995 -0.05188
156 6PX -0.00038 0.00787 -0.00283 -0.00201 -0.00521
157 6PY 0.00744 -0.00038 0.00163 -0.00754 -0.00201
158 6PZ 0.00659 -0.01142 -0.01329 -0.00641 0.01111
159 7PX 0.05275 -0.12112 -0.01171 0.02257 -0.00525
160 7PY -0.06021 0.05275 0.00676 0.02081 0.02257
161 7PZ -0.06709 0.11620 0.07702 0.02005 -0.03472
162 8PX -0.58052 1.53512 0.30201 -0.57425 0.64298
163 8PY 0.86479 -0.58052 -0.17437 -0.02011 -0.57425
164 8PZ 0.66929 -1.15924 -0.96291 -0.06041 0.10464
165 9PX -1.71681 3.50873 0.96858 -1.91240 1.93234
166 9PY 1.52632 -1.71681 -0.55921 -0.27591 -1.91240
167 9PZ 1.55909 -2.70042 -1.68465 0.40047 -0.69363
168 10D 0 0.00814 -0.01409 -0.01499 -0.00029 0.00050
169 10D+1 0.01515 -0.02543 0.00356 0.00757 -0.01349
170 10D-1 -0.00793 0.01515 -0.00206 -0.00474 0.00757
171 10D+2 -0.01438 0.01023 0.00494 0.02057 0.01832
172 10D-2 0.01023 -0.02620 -0.00856 0.01832 -0.00058
173 11D 0 -0.04836 0.08377 0.10203 0.00739 -0.01280
174 11D+1 -0.10142 0.16080 -0.01274 -0.05477 0.10856
175 11D-1 0.04369 -0.10142 0.00735 0.04532 -0.05477
176 11D+2 0.09624 -0.06626 -0.03810 -0.12143 -0.11579
177 11D-2 -0.06626 0.17276 0.06599 -0.11579 0.01227
178 12D 0 0.04951 -0.08576 -0.75613 -0.31243 0.54115
179 12D+1 -0.26242 0.90422 0.63444 -0.06439 -0.09300
180 12D-1 0.60121 -0.26242 -0.36629 -0.16735 -0.06439
181 12D+2 -0.29550 -0.53973 0.04829 0.88541 0.19401
182 12D-2 -0.53973 0.32773 -0.08363 0.19401 0.66139
183 13F 0 -0.00568 0.00983 0.00295 0.00291 -0.00504
184 13F+1 -0.00854 0.00958 0.00258 0.01127 0.00245
185 13F-1 -0.00028 -0.00854 -0.00149 0.01546 0.01127
186 13F+2 -0.00126 -0.00396 -0.00934 0.00542 -0.01797
187 13F-2 -0.00396 0.00331 0.01618 -0.01797 0.02618
188 13F+3 0.00150 0.00087 0.00000 -0.02052 -0.01185
189 13F-3 0.01105 -0.01914 0.00076 -0.00485 0.00841
190 14F 0 -0.01197 0.02074 -0.00968 -0.04257 0.07373
191 14F+1 0.02931 -0.02170 0.01309 -0.07714 -0.03180
192 14F-1 0.01215 0.02931 -0.00756 -0.12086 -0.07714
193 14F+2 0.04722 -0.05331 0.04471 -0.00429 0.10572
194 14F-2 -0.05331 0.10877 -0.07744 0.10572 -0.12636
195 14F+3 0.00618 0.00357 0.00000 0.14211 0.08205
196 14F-3 -0.02414 0.04182 -0.02173 0.06773 -0.11731
197 15G 0 -0.00257 0.00445 0.00402 0.00061 -0.00106
198 15G+1 -0.00024 -0.00014 0.00423 0.00268 -0.00311
199 15G-1 -0.00042 -0.00024 -0.00244 -0.00001 0.00268
200 15G+2 0.00126 -0.00390 -0.00333 0.00061 0.00226
201 15G-2 -0.00390 0.00577 0.00577 0.00226 -0.00200
202 15G+3 0.00254 0.00147 0.00000 -0.00723 -0.00417
203 15G-3 0.00259 -0.00449 0.00003 0.00131 -0.00227
204 15G+4 -0.00300 -0.00033 -0.00043 0.00459 0.00482
205 15G-4 0.00033 0.00262 -0.00075 -0.00482 0.00098
206 4 H 1S 0.01449 0.02509 -0.00786 0.00484 0.00838
207 2S -0.80575 -1.39560 0.53109 -0.61101 -1.05829
208 3S 3.20108 5.54444 -2.31894 1.92438 3.33313
209 4S 5.80843 10.06050 -3.37096 3.46775 6.00631
210 5S -0.14504 -0.25122 -0.07945 0.02995 0.05188
211 6PX 0.00038 0.00787 0.00283 0.00201 -0.00521
212 6PY 0.00744 0.00038 0.00163 -0.00754 0.00201
213 6PZ 0.00659 0.01142 -0.01329 -0.00641 -0.01111
214 7PX -0.05275 -0.12112 0.01171 -0.02257 -0.00525
215 7PY -0.06021 -0.05275 0.00676 0.02081 -0.02257
216 7PZ -0.06709 -0.11620 0.07702 0.02005 0.03472
217 8PX 0.58052 1.53512 -0.30201 0.57425 0.64298
218 8PY 0.86479 0.58052 -0.17437 -0.02011 0.57425
219 8PZ 0.66929 1.15924 -0.96291 -0.06041 -0.10464
220 9PX 1.71681 3.50873 -0.96858 1.91240 1.93234
221 9PY 1.52632 1.71681 -0.55921 -0.27591 1.91240
222 9PZ 1.55909 2.70042 -1.68465 0.40047 0.69363
223 10D 0 0.00814 0.01409 -0.01499 -0.00029 -0.00050
224 10D+1 -0.01515 -0.02543 -0.00356 -0.00757 -0.01349
225 10D-1 -0.00793 -0.01515 -0.00206 -0.00474 -0.00757
226 10D+2 -0.01438 -0.01023 0.00494 0.02057 -0.01832
227 10D-2 -0.01023 -0.02620 0.00856 -0.01832 -0.00058
228 11D 0 -0.04836 -0.08377 0.10203 0.00739 0.01280
229 11D+1 0.10142 0.16080 0.01274 0.05477 0.10856
230 11D-1 0.04369 0.10142 0.00735 0.04532 0.05477
231 11D+2 0.09624 0.06626 -0.03810 -0.12143 0.11579
232 11D-2 0.06626 0.17276 -0.06599 0.11579 0.01227
233 12D 0 0.04951 0.08576 -0.75613 -0.31243 -0.54115
234 12D+1 0.26242 0.90422 -0.63444 0.06439 -0.09300
235 12D-1 0.60121 0.26242 -0.36629 -0.16735 0.06439
236 12D+2 -0.29550 0.53973 0.04829 0.88541 -0.19401
237 12D-2 0.53973 0.32773 0.08363 -0.19401 0.66139
238 13F 0 -0.00568 -0.00983 0.00295 0.00291 0.00504
239 13F+1 0.00854 0.00958 -0.00258 -0.01127 0.00245
240 13F-1 -0.00028 0.00854 -0.00149 0.01546 -0.01127
241 13F+2 -0.00126 0.00396 -0.00934 0.00542 0.01797
242 13F-2 0.00396 0.00331 -0.01618 0.01797 0.02618
243 13F+3 -0.00150 0.00087 0.00000 0.02052 -0.01185
244 13F-3 0.01105 0.01914 0.00076 -0.00485 -0.00841
245 14F 0 -0.01197 -0.02074 -0.00968 -0.04257 -0.07373
246 14F+1 -0.02931 -0.02170 -0.01309 0.07714 -0.03180
247 14F-1 0.01215 -0.02931 -0.00756 -0.12086 0.07714
248 14F+2 0.04722 0.05331 0.04471 -0.00429 -0.10572
249 14F-2 0.05331 0.10877 0.07744 -0.10572 -0.12636
250 14F+3 -0.00618 0.00357 0.00000 -0.14211 0.08205
251 14F-3 -0.02414 -0.04182 -0.02173 0.06773 0.11731
252 15G 0 -0.00257 -0.00445 0.00402 0.00061 0.00106
253 15G+1 0.00024 -0.00014 -0.00423 -0.00268 -0.00311
254 15G-1 -0.00042 0.00024 -0.00244 -0.00001 -0.00268
255 15G+2 0.00126 0.00390 -0.00333 0.00061 -0.00226
256 15G-2 0.00390 0.00577 -0.00577 -0.00226 -0.00200
257 15G+3 -0.00254 0.00147 0.00000 0.00723 -0.00417
258 15G-3 0.00259 0.00449 0.00003 0.00131 0.00227
259 15G+4 -0.00300 0.00033 -0.00043 0.00459 -0.00482
260 15G-4 -0.00033 0.00262 0.00075 0.00482 0.00098
101 102 103 104 105
(E)--V (E)--V (A2)--V (A1)--V (E)--V
Eigenvalues -- 3.84614 3.84614 3.87506 3.88045 3.89171
1 1 P 1S 0.00000 0.00000 0.00000 0.00814 0.00000
2 2S 0.00000 0.00000 0.00000 -0.03122 0.00000
3 3S 0.00000 0.00000 0.00000 0.00326 0.00000
4 4S 0.00000 0.00000 0.00000 -0.40474 0.00000
5 5S 0.00000 0.00000 0.00000 -0.13105 0.00000
6 6S 0.00000 0.00000 0.00000 5.80776 0.00000
7 7S 0.00000 0.00000 0.00000 1.80106 0.00000
8 8PX 0.00000 -0.02770 0.00000 0.00000 0.01480
9 8PY -0.02770 0.00000 0.00000 0.00000 0.00000
10 8PZ 0.00000 0.00000 0.00000 0.02636 0.00000
11 9PX 0.00000 0.15127 0.00000 0.00000 -0.10651
12 9PY 0.15127 0.00000 0.00000 0.00000 0.00000
13 9PZ 0.00000 0.00000 0.00000 -0.00357 0.00000
14 10PX 0.00000 0.52625 0.00000 0.00000 -0.41090
15 10PY 0.52625 0.00000 0.00000 0.00000 0.00000
16 10PZ 0.00000 0.00000 0.00000 0.13531 0.00000
17 11PX 0.00000 -1.06292 0.00000 0.00000 0.87464
18 11PY -1.06292 0.00000 0.00000 0.00000 0.00000
19 11PZ 0.00000 0.00000 0.00000 -0.91220 0.00000
20 12PX 0.00000 1.55456 0.00000 0.00000 -0.71694
21 12PY 1.55456 0.00000 0.00000 0.00000 0.00000
22 12PZ 0.00000 0.00000 0.00000 -3.50422 0.00000
23 13PX 0.00000 -0.00508 0.00000 0.00000 -0.01952
24 13PY -0.00508 0.00000 0.00000 0.00000 0.00000
25 13PZ 0.00000 0.00000 0.00000 -0.30967 0.00000
26 14D 0 0.00000 0.00000 0.00000 1.03442 0.00000
27 14D+1 0.00000 -1.03524 0.00000 0.00000 0.32294
28 14D-1 -1.03524 0.00000 0.00000 0.00000 0.00000
29 14D+2 -0.83263 0.00000 0.00000 0.00000 0.00000
30 14D-2 0.00000 -0.83263 0.00000 0.00000 0.79648
31 15D 0 0.00000 0.00000 0.00000 0.35078 0.00000
32 15D+1 0.00000 -0.62594 0.00000 0.00000 -0.35170
33 15D-1 -0.62594 0.00000 0.00000 0.00000 0.00000
34 15D+2 -0.20763 0.00000 0.00000 0.00000 0.00000
35 15D-2 0.00000 -0.20763 0.00000 0.00000 0.52498
36 16D 0 0.00000 0.00000 0.00000 -0.28020 0.00000
37 16D+1 0.00000 0.42128 0.00000 0.00000 0.04210
38 16D-1 0.42128 0.00000 0.00000 0.00000 0.00000
39 16D+2 0.18679 0.00000 0.00000 0.00000 0.00000
40 16D-2 0.00000 0.18679 0.00000 0.00000 -0.38424
41 17D 0 0.00000 0.00000 0.00000 -0.03511 0.00000
42 17D+1 0.00000 0.03307 0.00000 0.00000 0.00190
43 17D-1 0.03307 0.00000 0.00000 0.00000 0.00000
44 17D+2 0.01292 0.00000 0.00000 0.00000 0.00000
45 17D-2 0.00000 0.01292 0.00000 0.00000 -0.04123
46 18F 0 0.00000 0.00000 0.00000 -0.59130 0.00000
47 18F+1 0.00000 0.86034 0.00000 0.00000 0.06336
48 18F-1 0.86034 0.00000 0.00000 0.00000 0.00000
49 18F+2 0.97421 0.00000 0.00000 0.00000 0.00000
50 18F-2 0.00000 0.97421 0.00000 0.00000 -0.86426
51 18F+3 0.00000 0.00000 0.37802 0.00000 0.00000
52 18F-3 0.00000 0.00000 0.00000 0.52654 0.00000
53 19F 0 0.00000 0.00000 0.00000 0.57918 0.00000
54 19F+1 0.00000 -0.18463 0.00000 0.00000 0.11667
55 19F-1 -0.18463 0.00000 0.00000 0.00000 0.00000
56 19F+2 -0.06738 0.00000 0.00000 0.00000 0.00000
57 19F-2 0.00000 -0.06738 0.00000 0.00000 0.24366
58 19F+3 0.00000 0.00000 -0.11155 0.00000 0.00000
59 19F-3 0.00000 0.00000 0.00000 -0.42509 0.00000
60 20F 0 0.00000 0.00000 0.00000 -0.34048 0.00000
61 20F+1 0.00000 0.38448 0.00000 0.00000 -0.00634
62 20F-1 0.38448 0.00000 0.00000 0.00000 0.00000
63 20F+2 0.19815 0.00000 0.00000 0.00000 0.00000
64 20F-2 0.00000 0.19815 0.00000 0.00000 -0.30170
65 20F+3 0.00000 0.00000 0.19753 0.00000 0.00000
66 20F-3 0.00000 0.00000 0.00000 0.31825 0.00000
67 21G 0 0.00000 0.00000 0.00000 0.19629 0.00000
68 21G+1 0.00000 -0.29528 0.00000 0.00000 -0.03776
69 21G-1 -0.29528 0.00000 0.00000 0.00000 0.00000
70 21G+2 -0.47361 0.00000 0.00000 0.00000 0.00000
71 21G-2 0.00000 -0.47361 0.00000 0.00000 0.31093
72 21G+3 0.00000 0.00000 0.00844 0.00000 0.00000
73 21G-3 0.00000 0.00000 0.00000 -0.20055 0.00000
74 21G+4 -0.10955 0.00000 0.00000 0.00000 0.00000
75 21G-4 0.00000 0.10955 0.00000 0.00000 -0.08177
76 22G 0 0.00000 0.00000 0.00000 -0.03157 0.00000
77 22G+1 0.00000 -0.03363 0.00000 0.00000 -0.07788
78 22G-1 -0.03363 0.00000 0.00000 0.00000 0.00000
79 22G+2 -0.02393 0.00000 0.00000 0.00000 0.00000
80 22G-2 0.00000 -0.02393 0.00000 0.00000 0.01791
81 22G+3 0.00000 0.00000 0.00271 0.00000 0.00000
82 22G-3 0.00000 0.00000 0.00000 0.08958 0.00000
83 22G+4 0.08459 0.00000 0.00000 0.00000 0.00000
84 22G-4 0.00000 -0.08459 0.00000 0.00000 -0.08435
85 23H 0 0.00000 0.00000 0.00000 0.10612 0.00000
86 23H+1 0.00000 -0.07565 0.00000 0.00000 0.12225
87 23H-1 -0.07565 0.00000 0.00000 0.00000 0.00000
88 23H+2 0.02062 0.00000 0.00000 0.00000 0.00000
89 23H-2 0.00000 0.02062 0.00000 0.00000 0.01605
90 23H+3 0.00000 0.00000 0.04000 0.00000 0.00000
91 23H-3 0.00000 0.00000 0.00000 0.01610 0.00000
92 23H+4 -0.08914 0.00000 0.00000 0.00000 0.00000
93 23H-4 0.00000 0.08914 0.00000 0.00000 -0.03790
94 23H+5 0.00000 -0.13489 0.00000 0.00000 -0.02649
95 23H-5 0.13489 0.00000 0.00000 0.00000 0.00000
96 2 H 1S -0.00596 0.00000 0.00000 -0.00151 0.00000
97 2S -0.22627 0.00000 0.00000 0.74145 0.00000
98 3S -0.80359 0.00000 0.00000 -1.03550 0.00000
99 4S -1.25205 0.00000 0.00000 -2.06456 0.00000
100 5S 0.27979 0.00000 0.00000 -0.24075 0.00000
101 6PX 0.00000 0.00229 0.00145 0.00000 -0.01348
102 6PY 0.02288 0.00000 0.00000 -0.01252 0.00000
103 6PZ 0.00824 0.00000 0.00000 0.00699 0.00000
104 7PX 0.00000 -0.00994 -0.00453 0.00000 0.05991
105 7PY -0.14876 0.00000 0.00000 0.07728 0.00000
106 7PZ -0.01622 0.00000 0.00000 -0.03812 0.00000
107 8PX 0.00000 0.15785 0.00900 0.00000 -0.32118
108 8PY 0.56857 0.00000 0.00000 0.15952 0.00000
109 8PZ 0.19841 0.00000 0.00000 -0.07899 0.00000
110 9PX 0.00000 0.26350 0.21930 0.00000 -0.41058
111 9PY 0.06090 0.00000 0.00000 1.69088 0.00000
112 9PZ 0.45780 0.00000 0.00000 -0.14724 0.00000
113 10D 0 0.01839 0.00000 0.00000 0.00802 0.00000
114 10D+1 0.00000 -0.00435 0.00804 0.00000 -0.00886
115 10D-1 -0.03897 0.00000 0.00000 -0.00866 0.00000
116 10D+2 0.03111 0.00000 0.00000 0.00405 0.00000
117 10D-2 0.00000 -0.01486 -0.00955 0.00000 0.03835
118 11D 0 -0.11273 0.00000 0.00000 -0.04635 0.00000
119 11D+1 0.00000 0.01696 -0.04287 0.00000 0.05550
120 11D-1 0.22308 0.00000 0.00000 0.05370 0.00000
121 11D+2 -0.16229 0.00000 0.00000 -0.02158 0.00000
122 11D-2 0.00000 0.07561 0.05241 0.00000 -0.22279
123 12D 0 0.26294 0.00000 0.00000 0.21465 0.00000
124 12D+1 0.00000 0.17011 0.08913 0.00000 -0.10781
125 12D-1 -0.42132 0.00000 0.00000 0.16889 0.00000
126 12D+2 0.07854 0.00000 0.00000 0.45738 0.00000
127 12D-2 0.00000 -0.08983 -0.08274 0.00000 0.34798
128 13F 0 -0.01861 0.00000 0.00000 -0.03777 0.00000
129 13F+1 0.00000 0.04865 -0.06588 0.00000 -0.00235
130 13F-1 -0.01829 0.00000 0.00000 -0.03688 0.00000
131 13F+2 0.01464 0.00000 0.00000 0.03316 0.00000
132 13F-2 0.00000 0.03812 -0.04906 0.00000 0.02229
133 13F+3 0.00000 -0.04969 0.02104 0.00000 -0.00595
134 13F-3 -0.02902 0.00000 0.00000 0.01774 0.00000
135 14F 0 0.16155 0.00000 0.00000 0.28478 0.00000
136 14F+1 0.00000 -0.35373 0.47913 0.00000 0.01625
137 14F-1 0.18005 0.00000 0.00000 0.28086 0.00000
138 14F+2 -0.06169 0.00000 0.00000 -0.22667 0.00000
139 14F-2 0.00000 -0.26247 0.37670 0.00000 -0.18250
140 14F+3 0.00000 0.36655 -0.14694 0.00000 0.01685
141 14F-3 0.21510 0.00000 0.00000 -0.12961 0.00000
142 15G 0 0.00040 0.00000 0.00000 -0.00121 0.00000
143 15G+1 0.00000 0.00043 -0.00065 0.00000 0.00032
144 15G-1 -0.00040 0.00000 0.00000 -0.00194 0.00000
145 15G+2 0.00032 0.00000 0.00000 -0.00213 0.00000
146 15G-2 0.00000 -0.00085 0.00153 0.00000 -0.00003
147 15G+3 0.00000 0.00079 -0.00075 0.00000 0.00304
148 15G-3 -0.00289 0.00000 0.00000 -0.00113 0.00000
149 15G+4 -0.00186 0.00000 0.00000 -0.00189 0.00000
150 15G-4 0.00000 0.00018 0.00058 0.00000 -0.00074
151 3 H 1S 0.00298 -0.00516 0.00000 -0.00151 0.00017
152 2S 0.11313 -0.19595 0.00000 0.74145 0.21753
153 3S 0.40180 -0.69593 0.00000 -1.03550 0.11338
154 4S 0.62602 -1.08430 0.00000 -2.06456 0.61478
155 5S -0.13990 0.24231 0.00000 -0.24075 -0.16120
156 6PX -0.00891 0.01773 -0.00072 -0.01084 -0.00876
157 6PY 0.00744 -0.00891 -0.00125 0.00626 -0.00272
158 6PZ -0.00412 0.00714 0.00000 0.00699 0.00148
159 7PX 0.06011 -0.11405 0.00226 0.06692 0.05524
160 7PY -0.04464 0.06011 0.00392 -0.03864 0.00270
161 7PZ 0.00811 -0.01405 0.00000 -0.03812 -0.01384
162 8PX -0.17785 0.46589 -0.00450 0.13815 -0.12368
163 8PY 0.26053 -0.17785 -0.00780 -0.07976 -0.11402
164 8PZ -0.09921 0.17183 0.00000 -0.07899 -0.00401
165 9PX 0.08773 0.11155 -0.10965 1.46434 0.09234
166 9PY 0.21285 0.08773 -0.18992 -0.84544 -0.29036
167 9PZ -0.22890 0.39646 0.00000 -0.14724 0.05039
168 10D 0 -0.00920 0.01593 0.00000 0.00802 -0.01970
169 10D+1 0.01499 -0.03031 -0.00402 -0.00750 -0.01417
170 10D-1 -0.01300 0.01499 -0.00696 0.00433 0.00306
171 10D+2 -0.00337 -0.01990 0.00827 -0.00203 0.00669
172 10D-2 -0.01990 0.01962 0.00477 0.00351 0.02676
173 11D 0 0.05636 -0.09763 0.00000 -0.04635 0.10000
174 11D+1 -0.08925 0.17155 0.02144 0.04651 0.07368
175 11D-1 0.06849 -0.08925 0.03713 -0.02685 -0.01050
176 11D+2 0.01614 0.10301 -0.04538 0.01079 -0.04321
177 11D-2 0.10301 -0.10281 -0.02620 -0.01869 -0.14795
178 12D 0 -0.13147 0.22772 0.00000 0.21465 0.04178
179 12D+1 0.25610 -0.27346 -0.04457 0.14626 0.03822
180 12D-1 0.02225 0.25610 -0.07719 -0.08444 -0.08431
181 12D+2 -0.04773 -0.07290 0.07165 -0.22869 0.06598
182 12D-2 -0.07290 0.03645 0.04137 0.39611 0.23370
183 13F 0 0.00930 -0.01612 0.00000 -0.03777 0.00696
184 13F+1 0.02898 -0.00155 0.03294 -0.03193 0.02584
185 13F-1 0.03191 0.02898 0.05706 0.01844 -0.01627
186 13F+2 0.03225 0.01017 0.04249 -0.01658 0.03896
187 13F-2 0.01017 0.02051 0.02453 0.02872 -0.04519
188 13F+3 0.04304 0.02485 0.02104 0.00000 0.00297
189 13F-3 0.01451 -0.02513 0.00000 0.01774 -0.05398
190 14F 0 -0.08077 0.13990 0.00000 0.28478 -0.03989
191 14F+1 -0.23113 0.04660 -0.23957 0.24323 -0.19861
192 14F-1 -0.22029 -0.23113 -0.41494 -0.14043 0.12405
193 14F+2 -0.21227 -0.08694 -0.32623 0.11334 -0.28948
194 14F-2 -0.08694 -0.11188 -0.18835 -0.19630 0.31889
195 14F+3 -0.31744 -0.18328 -0.14694 0.00000 -0.00842
196 14F-3 -0.10755 0.18628 0.00000 -0.12961 0.41401
197 15G 0 -0.00020 0.00035 0.00000 -0.00121 -0.00124
198 15G+1 0.00036 -0.00019 0.00032 -0.00168 0.00053
199 15G-1 0.00023 0.00036 0.00056 0.00097 -0.00012
200 15G+2 -0.00056 -0.00051 -0.00132 0.00107 0.00115
201 15G-2 -0.00051 0.00003 -0.00076 -0.00185 -0.00203
202 15G+3 -0.00069 -0.00040 -0.00075 0.00000 -0.00152
203 15G-3 0.00145 -0.00250 0.00000 -0.00113 0.00121
204 15G+4 -0.00060 0.00073 0.00050 0.00095 0.00091
205 15G-4 -0.00073 0.00144 -0.00029 0.00164 0.00084
206 4 H 1S 0.00298 0.00516 0.00000 -0.00151 -0.00017
207 2S 0.11313 0.19595 0.00000 0.74145 -0.21753
208 3S 0.40180 0.69593 0.00000 -1.03550 -0.11338
209 4S 0.62602 1.08430 0.00000 -2.06456 -0.61478
210 5S -0.13990 -0.24231 0.00000 -0.24075 0.16120
211 6PX 0.00891 0.01773 -0.00072 0.01084 -0.00876
212 6PY 0.00744 0.00891 0.00125 0.00626 0.00272
213 6PZ -0.00412 -0.00714 0.00000 0.00699 -0.00148
214 7PX -0.06011 -0.11405 0.00226 -0.06692 0.05524
215 7PY -0.04464 -0.06011 -0.00392 -0.03864 -0.00270
216 7PZ 0.00811 0.01405 0.00000 -0.03812 0.01384
217 8PX 0.17785 0.46589 -0.00450 -0.13815 -0.12368
218 8PY 0.26053 0.17785 0.00780 -0.07976 0.11402
219 8PZ -0.09921 -0.17183 0.00000 -0.07899 0.00401
220 9PX -0.08773 0.11155 -0.10965 -1.46434 0.09234
221 9PY 0.21285 -0.08773 0.18992 -0.84544 0.29036
222 9PZ -0.22890 -0.39646 0.00000 -0.14724 -0.05039
223 10D 0 -0.00920 -0.01593 0.00000 0.00802 0.01970
224 10D+1 -0.01499 -0.03031 -0.00402 0.00750 -0.01417
225 10D-1 -0.01300 -0.01499 0.00696 0.00433 -0.00306
226 10D+2 -0.00337 0.01990 -0.00827 -0.00203 -0.00669
227 10D-2 0.01990 0.01962 0.00477 -0.00351 0.02676
228 11D 0 0.05636 0.09763 0.00000 -0.04635 -0.10000
229 11D+1 0.08925 0.17155 0.02144 -0.04651 0.07368
230 11D-1 0.06849 0.08925 -0.03713 -0.02685 0.01050
231 11D+2 0.01614 -0.10301 0.04538 0.01079 0.04321
232 11D-2 -0.10301 -0.10281 -0.02620 0.01869 -0.14795
233 12D 0 -0.13147 -0.22772 0.00000 0.21465 -0.04178
234 12D+1 -0.25610 -0.27346 -0.04457 -0.14626 0.03822
235 12D-1 0.02225 -0.25610 0.07719 -0.08444 0.08431
236 12D+2 -0.04773 0.07290 -0.07165 -0.22869 -0.06598
237 12D-2 0.07290 0.03645 0.04137 -0.39611 0.23370
238 13F 0 0.00930 0.01612 0.00000 -0.03777 -0.00696
239 13F+1 -0.02898 -0.00155 0.03294 0.03193 0.02584
240 13F-1 0.03191 -0.02898 -0.05706 0.01844 0.01627
241 13F+2 0.03225 -0.01017 -0.04249 -0.01658 -0.03896
242 13F-2 -0.01017 0.02051 0.02453 -0.02872 -0.04519
243 13F+3 -0.04304 0.02485 0.02104 0.00000 0.00297
244 13F-3 0.01451 0.02513 0.00000 0.01774 0.05398
245 14F 0 -0.08077 -0.13990 0.00000 0.28478 0.03989
246 14F+1 0.23113 0.04660 -0.23957 -0.24323 -0.19861
247 14F-1 -0.22029 0.23113 0.41494 -0.14043 -0.12405
248 14F+2 -0.21227 0.08694 0.32623 0.11334 0.28948
249 14F-2 0.08694 -0.11188 -0.18835 0.19630 0.31889
250 14F+3 0.31744 -0.18328 -0.14694 0.00000 -0.00842
251 14F-3 -0.10755 -0.18628 0.00000 -0.12961 -0.41401
252 15G 0 -0.00020 -0.00035 0.00000 -0.00121 0.00124
253 15G+1 -0.00036 -0.00019 0.00032 0.00168 0.00053
254 15G-1 0.00023 -0.00036 -0.00056 0.00097 0.00012
255 15G+2 -0.00056 0.00051 0.00132 0.00107 -0.00115
256 15G-2 0.00051 0.00003 -0.00076 0.00185 -0.00203
257 15G+3 0.00069 -0.00040 -0.00075 0.00000 -0.00152
258 15G-3 0.00145 0.00250 0.00000 -0.00113 -0.00121
259 15G+4 -0.00060 -0.00073 -0.00050 0.00095 -0.00091
260 15G-4 0.00073 0.00144 -0.00029 -0.00164 0.00084
106 107 108 109 110
(E)--V (A2)--V (E)--V (E)--V (E)--V
Eigenvalues -- 3.89171 4.02899 4.12734 4.12734 4.18686
1 1 P 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 0.00000 -0.00986 0.00000 0.01739
9 8PY 0.01480 0.00000 0.00000 -0.00986 0.00000
10 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
11 9PX 0.00000 0.00000 0.01416 0.00000 -0.04956
12 9PY -0.10651 0.00000 0.00000 0.01416 0.00000
13 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
14 10PX 0.00000 0.00000 0.03472 0.00000 -0.18864
15 10PY -0.41090 0.00000 0.00000 0.03472 0.00000
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125 12D-1 0.08690 0.00000 0.00000 -0.17324 0.00000
126 12D+2 0.19561 0.00000 0.00000 0.25751 0.00000
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130 13F-1 0.03523 0.00000 0.00000 0.01791 0.00000
131 13F+2 -0.06769 0.00000 0.00000 -0.03468 0.00000
132 13F-2 0.00000 0.01072 0.01441 0.00000 0.00251
133 13F+3 0.00000 0.05666 -0.02647 0.00000 0.00772
134 13F-3 -0.06233 0.00000 0.00000 0.01835 0.00000
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139 14F-2 0.00000 -0.17172 -0.08121 0.00000 -0.02935
140 14F+3 0.00000 -0.53077 0.20442 0.00000 -0.07865
141 14F-3 0.47806 0.00000 0.00000 -0.16852 0.00000
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144 15G-1 0.00060 0.00000 0.00000 -0.00577 0.00000
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146 15G-2 0.00000 -0.00386 0.00153 0.00000 -0.00289
147 15G+3 0.00000 -0.00635 -0.00035 0.00000 -0.00135
148 15G-3 0.00140 0.00000 0.00000 0.00062 0.00000
149 15G+4 -0.00136 0.00000 0.00000 0.00211 0.00000
150 15G-4 0.00000 0.00125 -0.00156 0.00000 0.00101
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152 2S -0.12559 0.00000 0.10753 -0.06208 -0.15369
153 3S -0.06546 0.00000 -0.43677 0.25217 -1.26348
154 4S -0.35494 0.00000 -1.39823 0.80727 0.73957
155 5S 0.09307 0.00000 0.03036 -0.01753 0.04016
156 6PX -0.00272 0.00614 -0.00008 -0.00144 0.00489
157 6PY -0.01190 0.01064 -0.00144 -0.00174 0.00049
158 6PZ -0.00086 0.00000 0.00229 -0.00132 -0.01700
159 7PX 0.00270 -0.02751 -0.00300 0.00913 -0.05880
160 7PY 0.05836 -0.04765 0.00913 0.00753 0.01469
161 7PZ 0.00799 0.00000 -0.00898 0.00518 0.10939
162 8PX -0.11402 -0.28520 0.10843 -0.19249 0.92871
163 8PY -0.25535 -0.49397 -0.19249 -0.11383 -0.33570
164 8PZ 0.00232 0.00000 0.17593 -0.10157 0.14684
165 9PX -0.29036 -0.24393 0.45140 -0.61414 -0.05660
166 9PY -0.24294 -0.42251 -0.61414 -0.25774 0.61928
167 9PZ -0.02909 0.00000 0.17981 -0.10381 0.49063
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170 10D-1 -0.01063 0.00745 -0.00040 0.01262 0.00599
171 10D+2 0.03449 -0.05134 0.00926 -0.00291 0.01763
172 10D-2 0.00669 -0.02964 -0.01360 0.00926 -0.01859
173 11D 0 -0.05774 0.00000 -0.11949 0.06899 0.22742
174 11D+1 -0.01050 -0.02249 -0.06497 0.00096 -0.06220
175 11D-1 0.06156 -0.03895 0.00096 -0.06386 -0.03879
176 11D+2 -0.19785 0.27804 -0.05518 0.00915 -0.09359
177 11D-2 -0.04321 0.16053 0.07287 -0.05518 0.11079
178 12D 0 -0.02412 0.00000 0.20161 -0.11640 0.46891
179 12D+1 -0.08431 -0.19129 -0.15390 0.03349 -0.23657
180 12D-1 -0.05913 -0.33132 0.03349 -0.11524 0.17513
181 12D+2 0.30989 0.39640 0.03334 0.31526 -0.36578
182 12D-2 0.06598 0.22886 0.27676 0.03334 0.12786
183 13F 0 -0.00402 0.00000 0.06879 -0.03971 -0.02969
184 13F+1 -0.01627 0.00170 0.02501 0.01230 0.05715
185 13F-1 0.00705 0.00295 0.01230 0.03922 0.00300
186 13F+2 -0.00020 -0.00928 0.02126 0.00214 -0.00150
187 13F-2 0.03896 -0.00536 -0.02240 0.02126 0.00511
188 13F+3 0.00515 0.05666 0.01324 0.02292 -0.00386
189 13F-3 0.03116 0.00000 0.01589 -0.00917 0.01161
190 14F 0 0.02303 0.00000 -0.53673 0.30988 0.28555
191 14F+1 0.12405 -0.01588 -0.20141 -0.09528 -0.54335
192 14F-1 -0.05537 -0.02751 -0.09528 -0.31143 0.02794
193 14F+2 -0.01537 0.14871 -0.15346 0.00739 -0.00541
194 14F-2 -0.28948 0.08586 0.18459 -0.15346 -0.01998
195 14F+3 -0.01459 -0.53077 -0.10221 -0.17703 0.03932
196 14F-3 -0.23903 0.00000 -0.14594 0.08426 -0.15631
197 15G 0 0.00072 0.00000 0.00267 -0.00154 -0.00182
198 15G+1 -0.00012 0.00072 -0.00398 0.00310 -0.00258
199 15G-1 0.00039 0.00124 0.00310 -0.00040 0.00195
200 15G+2 -0.00070 0.00334 0.00108 0.00091 0.00066
201 15G-2 0.00115 0.00193 -0.00034 0.00108 -0.00404
202 15G+3 -0.00263 -0.00635 0.00018 0.00030 0.00068
203 15G-3 -0.00070 0.00000 0.00053 -0.00031 -0.00121
204 15G+4 0.00021 0.00108 -0.00024 0.00170 0.00167
205 15G-4 -0.00091 -0.00063 -0.00197 0.00024 0.00390
206 4 H 1S -0.00010 0.00000 -0.00022 -0.00013 0.00362
207 2S -0.12559 0.00000 -0.10753 -0.06208 0.15369
208 3S -0.06546 0.00000 0.43677 0.25217 1.26348
209 4S -0.35494 0.00000 1.39823 0.80727 -0.73957
210 5S 0.09307 0.00000 -0.03036 -0.01753 -0.04016
211 6PX 0.00272 0.00614 -0.00008 0.00144 0.00489
212 6PY -0.01190 -0.01064 0.00144 -0.00174 -0.00049
213 6PZ -0.00086 0.00000 -0.00229 -0.00132 0.01700
214 7PX -0.00270 -0.02751 -0.00300 -0.00913 -0.05880
215 7PY 0.05836 0.04765 -0.00913 0.00753 -0.01469
216 7PZ 0.00799 0.00000 0.00898 0.00518 -0.10939
217 8PX 0.11402 -0.28520 0.10843 0.19249 0.92871
218 8PY -0.25535 0.49397 0.19249 -0.11383 0.33570
219 8PZ 0.00232 0.00000 -0.17593 -0.10157 -0.14684
220 9PX 0.29036 -0.24393 0.45140 0.61414 -0.05660
221 9PY -0.24294 0.42251 0.61414 -0.25774 -0.61928
222 9PZ -0.02909 0.00000 -0.17981 -0.10381 -0.49063
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224 10D+1 -0.00306 0.00430 0.01308 0.00040 0.01289
225 10D-1 -0.01063 -0.00745 0.00040 0.01262 -0.00599
226 10D+2 0.03449 0.05134 -0.00926 -0.00291 -0.01763
227 10D-2 -0.00669 -0.02964 -0.01360 -0.00926 -0.01859
228 11D 0 -0.05774 0.00000 0.11949 0.06899 -0.22742
229 11D+1 0.01050 -0.02249 -0.06497 -0.00096 -0.06220
230 11D-1 0.06156 0.03895 -0.00096 -0.06386 0.03879
231 11D+2 -0.19785 -0.27804 0.05518 0.00915 0.09359
232 11D-2 0.04321 0.16053 0.07287 0.05518 0.11079
233 12D 0 -0.02412 0.00000 -0.20161 -0.11640 -0.46891
234 12D+1 0.08431 -0.19129 -0.15390 -0.03349 -0.23657
235 12D-1 -0.05913 0.33132 -0.03349 -0.11524 -0.17513
236 12D+2 0.30989 -0.39640 -0.03334 0.31526 0.36578
237 12D-2 -0.06598 0.22886 0.27676 -0.03334 0.12786
238 13F 0 -0.00402 0.00000 -0.06879 -0.03971 0.02969
239 13F+1 0.01627 0.00170 0.02501 -0.01230 0.05715
240 13F-1 0.00705 -0.00295 -0.01230 0.03922 -0.00300
241 13F+2 -0.00020 0.00928 -0.02126 0.00214 0.00150
242 13F-2 -0.03896 -0.00536 -0.02240 -0.02126 0.00511
243 13F+3 -0.00515 0.05666 0.01324 -0.02292 -0.00386
244 13F-3 0.03116 0.00000 -0.01589 -0.00917 -0.01161
245 14F 0 0.02303 0.00000 0.53673 0.30988 -0.28555
246 14F+1 -0.12405 -0.01588 -0.20141 0.09528 -0.54335
247 14F-1 -0.05537 0.02751 0.09528 -0.31143 -0.02794
248 14F+2 -0.01537 -0.14871 0.15346 0.00739 0.00541
249 14F-2 0.28948 0.08586 0.18459 0.15346 -0.01998
250 14F+3 0.01459 -0.53077 -0.10221 0.17703 0.03932
251 14F-3 -0.23903 0.00000 0.14594 0.08426 0.15631
252 15G 0 0.00072 0.00000 -0.00267 -0.00154 0.00182
253 15G+1 0.00012 0.00072 -0.00398 -0.00310 -0.00258
254 15G-1 0.00039 -0.00124 -0.00310 -0.00040 -0.00195
255 15G+2 -0.00070 -0.00334 -0.00108 0.00091 -0.00066
256 15G-2 -0.00115 0.00193 -0.00034 -0.00108 -0.00404
257 15G+3 0.00263 -0.00635 0.00018 -0.00030 0.00068
258 15G-3 -0.00070 0.00000 -0.00053 -0.00031 0.00121
259 15G+4 0.00021 -0.00108 0.00024 0.00170 -0.00167
260 15G-4 0.00091 -0.00063 -0.00197 -0.00024 0.00390
111 112 113 114 115
(E)--V (A1)--V (E)--V (E)--V (A1)--V
Eigenvalues -- 4.18686 4.36629 4.41601 4.41601 4.44396
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2 2S 0.00000 -0.06696 0.00000 0.00000 -0.00976
3 3S 0.00000 0.53267 0.00000 0.00000 0.09362
4 4S 0.00000 0.32592 0.00000 0.00000 0.09439
5 5S 0.00000 -7.09861 0.00000 0.00000 -1.29058
6 6S 0.00000 26.23315 0.00000 0.00000 4.47599
7 7S 0.00000 2.23995 0.00000 0.00000 0.57593
8 8PX 0.00000 0.00000 -0.01014 0.00000 0.00000
9 8PY 0.01739 0.00000 0.00000 0.01014 0.00000
10 8PZ 0.00000 -0.00094 0.00000 0.00000 0.00020
11 9PX 0.00000 0.00000 0.06380 0.00000 0.00000
12 9PY -0.04956 0.00000 0.00000 -0.06380 0.00000
13 9PZ 0.00000 0.40251 0.00000 0.00000 0.04764
14 10PX 0.00000 0.00000 0.39942 0.00000 0.00000
15 10PY -0.18864 0.00000 0.00000 -0.39942 0.00000
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17 11PX 0.00000 0.00000 -1.28230 0.00000 0.00000
18 11PY 0.11367 0.00000 0.00000 1.28230 0.00000
19 11PZ 0.00000 -4.52887 0.00000 0.00000 -0.55633
20 12PX 0.00000 0.00000 3.82692 0.00000 0.00000
21 12PY -0.92618 0.00000 0.00000 -3.82692 0.00000
22 12PZ 0.00000 -7.95309 0.00000 0.00000 -1.58109
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24 13PY -0.13436 0.00000 0.00000 -0.38575 0.00000
25 13PZ 0.00000 -0.02062 0.00000 0.00000 -0.06539
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27 14D+1 0.00000 0.00000 -1.30314 0.00000 0.00000
28 14D-1 0.39394 0.00000 0.00000 1.30314 0.00000
29 14D+2 -0.91992 0.00000 0.00000 1.13334 0.00000
30 14D-2 0.00000 0.00000 -1.13334 0.00000 0.00000
31 15D 0 0.00000 -2.38131 0.00000 0.00000 -0.61057
32 15D+1 0.00000 0.00000 1.43126 0.00000 0.00000
33 15D-1 -1.03894 0.00000 0.00000 -1.43126 0.00000
34 15D+2 -0.29698 0.00000 0.00000 -2.22969 0.00000
35 15D-2 0.00000 0.00000 2.22969 0.00000 0.00000
36 16D 0 0.00000 0.54476 0.00000 0.00000 0.16370
37 16D+1 0.00000 0.00000 -0.22914 0.00000 0.00000
38 16D-1 0.23413 0.00000 0.00000 0.22914 0.00000
39 16D+2 0.19346 0.00000 0.00000 0.40503 0.00000
40 16D-2 0.00000 0.00000 -0.40503 0.00000 0.00000
41 17D 0 0.00000 -0.01704 0.00000 0.00000 0.00395
42 17D+1 0.00000 0.00000 -0.02080 0.00000 0.00000
43 17D-1 -0.01474 0.00000 0.00000 0.02080 0.00000
44 17D+2 0.05650 0.00000 0.00000 -0.03680 0.00000
45 17D-2 0.00000 0.00000 0.03680 0.00000 0.00000
46 18F 0 0.00000 1.06482 0.00000 0.00000 0.56092
47 18F+1 0.00000 0.00000 -0.28111 0.00000 0.00000
48 18F-1 -0.46761 0.00000 0.00000 0.28111 0.00000
49 18F+2 1.01768 0.00000 0.00000 -0.64481 0.00000
50 18F-2 0.00000 0.00000 0.64481 0.00000 0.00000
51 18F+3 0.00000 0.00000 0.00000 0.00000 0.00000
52 18F-3 0.00000 -1.32379 0.00000 0.00000 0.20950
53 19F 0 0.00000 2.78827 0.00000 0.00000 -0.54074
54 19F+1 0.00000 0.00000 -1.20439 0.00000 0.00000
55 19F-1 1.87483 0.00000 0.00000 1.20439 0.00000
56 19F+2 0.61334 0.00000 0.00000 3.02548 0.00000
57 19F-2 0.00000 0.00000 -3.02548 0.00000 0.00000
58 19F+3 0.00000 0.00000 0.00000 0.00000 0.00000
59 19F-3 0.00000 -3.51328 0.00000 0.00000 -1.50427
60 20F 0 0.00000 -0.55983 0.00000 0.00000 1.11905
61 20F+1 0.00000 0.00000 -0.05417 0.00000 0.00000
62 20F-1 -0.81706 0.00000 0.00000 0.05417 0.00000
63 20F+2 0.21031 0.00000 0.00000 -0.88235 0.00000
64 20F-2 0.00000 0.00000 0.88235 0.00000 0.00000
65 20F+3 0.00000 0.00000 0.00000 0.00000 0.00000
66 20F-3 0.00000 0.50220 0.00000 0.00000 1.13942
67 21G 0 0.00000 -0.47459 0.00000 0.00000 -0.22993
68 21G+1 0.00000 0.00000 0.63336 0.00000 0.00000
69 21G-1 -0.22183 0.00000 0.00000 -0.63336 0.00000
70 21G+2 -1.20335 0.00000 0.00000 -1.01039 0.00000
71 21G-2 0.00000 0.00000 1.01039 0.00000 0.00000
72 21G+3 0.00000 0.00000 0.00000 0.00000 0.00000
73 21G-3 0.00000 1.91462 0.00000 0.00000 0.22275
74 21G+4 -0.07182 0.00000 0.00000 -0.61355 0.00000
75 21G-4 0.00000 0.00000 -0.61355 0.00000 0.00000
76 22G 0 0.00000 -0.26413 0.00000 0.00000 0.02864
77 22G+1 0.00000 0.00000 -0.12997 0.00000 0.00000
78 22G-1 0.04570 0.00000 0.00000 0.12997 0.00000
79 22G+2 0.16616 0.00000 0.00000 0.04595 0.00000
80 22G-2 0.00000 0.00000 -0.04595 0.00000 0.00000
81 22G+3 0.00000 0.00000 0.00000 0.00000 0.00000
82 22G-3 0.00000 0.21379 0.00000 0.00000 0.07166
83 22G+4 0.00727 0.00000 0.00000 0.21752 0.00000
84 22G-4 0.00000 0.00000 0.21752 0.00000 0.00000
85 23H 0 0.00000 -0.12617 0.00000 0.00000 -0.03510
86 23H+1 0.00000 0.00000 0.14012 0.00000 0.00000
87 23H-1 -0.02980 0.00000 0.00000 -0.14012 0.00000
88 23H+2 0.07518 0.00000 0.00000 0.09333 0.00000
89 23H-2 0.00000 0.00000 -0.09333 0.00000 0.00000
90 23H+3 0.00000 0.00000 0.00000 0.00000 0.00000
91 23H-3 0.00000 -0.05444 0.00000 0.00000 -0.02730
92 23H+4 0.06262 0.00000 0.00000 0.03910 0.00000
93 23H-4 0.00000 0.00000 0.03910 0.00000 0.00000
94 23H+5 0.00000 0.00000 -0.06889 0.00000 0.00000
95 23H-5 0.10322 0.00000 0.00000 -0.06889 0.00000
96 2 H 1S -0.00418 -0.02054 0.00000 -0.01515 -0.00301
97 2S -0.17747 0.96256 0.00000 -0.07364 0.13246
98 3S -1.45895 -6.24343 0.00000 -2.06040 -0.96750
99 4S 0.85398 -5.55761 0.00000 3.84283 -1.06236
100 5S 0.04638 0.01905 0.00000 -0.17367 -0.01337
101 6PX 0.00000 0.00000 0.02009 0.00000 0.00000
102 6PY 0.00461 0.01331 0.00000 0.01571 0.00335
103 6PZ -0.01963 -0.01219 0.00000 -0.00912 -0.00085
104 7PX 0.00000 0.00000 -0.12556 0.00000 0.00000
105 7PY -0.06728 -0.14352 0.00000 -0.15068 -0.03177
106 7PZ 0.12632 0.11254 0.00000 0.09177 0.01119
107 8PX 0.00000 0.00000 -0.75889 0.00000 0.00000
108 8PY 1.12253 1.96546 0.00000 1.94740 0.30592
109 8PZ 0.16956 -1.98453 0.00000 -0.25890 -0.33811
110 9PX 0.00000 0.00000 -0.70399 0.00000 0.00000
111 9PY -0.41414 2.22854 0.00000 -0.62504 0.45162
112 9PZ 0.56653 -2.31387 0.00000 1.47226 -0.32133
113 10D 0 -0.04772 0.01100 0.00000 -0.00917 -0.01294
114 10D+1 0.00000 0.00000 0.04390 0.00000 0.00000
115 10D-1 0.00944 -0.03615 0.00000 -0.03075 -0.01355
116 10D+2 -0.02877 -0.03196 0.00000 -0.03601 0.00604
117 10D-2 0.00000 0.00000 -0.01573 0.00000 0.00000
118 11D 0 0.26260 -0.04070 0.00000 0.03656 0.07998
119 11D+1 0.00000 0.00000 -0.24608 0.00000 0.00000
120 11D-1 -0.03980 0.20083 0.00000 0.20849 0.07826
121 11D+2 0.16482 0.19299 0.00000 0.22229 -0.03272
122 11D-2 0.00000 0.00000 0.08019 0.00000 0.00000
123 12D 0 0.54145 -0.57936 0.00000 0.75538 -0.12210
124 12D+1 0.00000 0.00000 -0.51941 0.00000 0.00000
125 12D-1 -0.33768 1.15206 0.00000 -0.20697 0.19365
126 12D+2 0.33904 0.35488 0.00000 0.54674 0.03800
127 12D-2 0.00000 0.00000 0.86082 0.00000 0.00000
128 13F 0 -0.03429 0.01768 0.00000 -0.02092 -0.01568
129 13F+1 0.00000 0.00000 0.00700 0.00000 0.00000
130 13F-1 0.05542 -0.02720 0.00000 0.02002 -0.00263
131 13F+2 0.00597 -0.05623 0.00000 0.00908 -0.01103
132 13F-2 0.00000 0.00000 -0.07452 0.00000 0.00000
133 13F+3 0.00000 0.00000 -0.01139 0.00000 0.00000
134 13F-3 0.01340 0.00691 0.00000 0.04760 -0.01941
135 14F 0 0.32972 -0.09806 0.00000 0.26712 0.10420
136 14F+1 0.00000 0.00000 -0.07556 0.00000 0.00000
137 14F-1 -0.55948 0.34273 0.00000 -0.20394 0.05339
138 14F+2 -0.01686 0.58973 0.00000 0.04228 0.11111
139 14F-2 0.00000 0.00000 0.69409 0.00000 0.00000
140 14F+3 0.00000 0.00000 0.18870 0.00000 0.00000
141 14F-3 -0.18049 -0.11555 0.00000 -0.49674 0.12397
142 15G 0 -0.00211 0.00675 0.00000 -0.00041 -0.00385
143 15G+1 0.00000 0.00000 0.00038 0.00000 0.00000
144 15G-1 -0.00371 0.00166 0.00000 -0.00592 0.00967
145 15G+2 -0.00442 0.00785 0.00000 -0.00204 0.00129
146 15G-2 0.00000 0.00000 -0.00269 0.00000 0.00000
147 15G+3 0.00000 0.00000 0.00432 0.00000 0.00000
148 15G-3 -0.00139 -0.00150 0.00000 0.00069 -0.00328
149 15G+4 -0.00486 -0.00354 0.00000 0.00172 -0.00775
150 15G-4 0.00000 0.00000 -0.00883 0.00000 0.00000
151 3 H 1S 0.00209 -0.02054 0.01312 0.00758 -0.00301
152 2S 0.08874 0.96256 0.06378 0.03682 0.13246
153 3S 0.72947 -6.24343 1.78436 1.03020 -0.96750
154 4S -0.42699 -5.55761 -3.32799 -1.92142 -1.06236
155 5S -0.02319 0.01905 0.15040 0.08683 -0.01337
156 6PX 0.00049 0.01153 -0.00676 -0.01550 0.00290
157 6PY 0.00546 -0.00666 0.01550 -0.01114 -0.00167
158 6PZ 0.00982 -0.01219 0.00790 0.00456 -0.00085
159 7PX 0.01469 -0.12429 0.08162 0.11962 -0.02751
160 7PY -0.04185 0.07176 -0.11962 0.05650 0.01588
161 7PZ -0.06316 0.11254 -0.07947 -0.04588 0.01119
162 8PX -0.33570 1.70214 -1.65027 -0.51464 0.26493
163 8PY 0.54107 -0.98273 0.51464 1.05602 -0.15296
164 8PZ -0.08478 -1.98453 0.22421 0.12945 -0.33811
165 9PX 0.61928 1.92997 0.29278 0.57549 0.39111
166 9PY 0.65849 -1.11427 -0.57549 0.37173 -0.22581
167 9PZ -0.28327 -2.31387 -1.27501 -0.73613 -0.32133
168 10D 0 0.02386 0.01100 0.00794 0.00458 -0.01294
169 10D+1 0.00599 -0.03131 0.03404 -0.00569 -0.01174
170 10D-1 0.01981 0.01808 0.00569 -0.04061 0.00678
171 10D+2 0.00177 0.01598 -0.02241 0.00279 -0.00302
172 10D-2 0.01763 -0.02767 0.02308 0.02241 0.00523
173 11D 0 -0.13130 -0.04070 -0.03166 -0.01828 0.07998
174 11D+1 -0.03879 0.17393 -0.21789 0.01628 0.06778
175 11D-1 -0.10699 -0.10042 -0.01628 0.23668 -0.03913
176 11D+2 0.00272 -0.09649 0.13098 -0.00457 0.01636
177 11D-2 -0.09359 0.16713 -0.14667 -0.13098 -0.02834
178 12D 0 -0.27072 -0.57936 -0.65417 -0.37769 -0.12210
179 12D+1 0.17513 0.99771 0.02537 0.31453 0.16770
180 12D-1 -0.03435 -0.57603 -0.31453 0.33782 -0.09682
181 12D+2 -0.29450 -0.17744 0.60949 -0.50893 -0.01900
182 12D-2 -0.36578 0.30734 -0.19485 -0.60949 0.03291
183 13F 0 0.01714 0.01768 0.01811 0.01046 -0.01568
184 13F+1 0.00300 -0.02355 -0.01327 -0.01170 -0.00228
185 13F-1 0.06061 0.01360 0.01170 -0.00025 0.00131
186 13F+2 0.00338 0.02812 -0.02833 0.05816 0.00552
187 13F-2 -0.00150 -0.04870 -0.02544 0.02833 -0.00956
188 13F+3 -0.00668 0.00000 0.00570 -0.00986 0.00000
189 13F-3 -0.00670 0.00691 -0.04122 -0.02380 -0.01941
190 14F 0 -0.16486 -0.09806 -0.23133 -0.13356 0.10420
191 14F+1 0.02794 0.29681 0.13406 0.12103 0.04624
192 14F-1 -0.51109 -0.17137 -0.12103 0.00568 -0.02670
193 14F+2 -0.02623 -0.29486 0.31886 -0.51000 -0.05556
194 14F-2 -0.00541 0.51072 0.14181 -0.31886 0.09622
195 14F+3 0.06811 0.00000 -0.09435 0.16342 0.00000
196 14F-3 0.09024 -0.11555 0.43019 0.24837 0.12397
197 15G 0 0.00105 0.00675 0.00035 0.00020 -0.00385
198 15G+1 0.00195 0.00144 0.00454 0.00240 0.00837
199 15G-1 -0.00032 -0.00083 -0.00240 -0.00177 -0.00483
200 15G+2 -0.00327 -0.00393 -0.00205 0.00151 -0.00065
201 15G-2 0.00066 0.00680 0.00086 0.00205 0.00112
202 15G+3 0.00117 0.00000 -0.00216 0.00374 0.00000
203 15G-3 0.00070 -0.00150 -0.00060 -0.00035 -0.00328
204 15G+4 -0.00197 0.00177 0.00457 -0.00619 0.00387
205 15G-4 -0.00167 0.00306 -0.00091 0.00457 0.00671
206 4 H 1S 0.00209 -0.02054 -0.01312 0.00758 -0.00301
207 2S 0.08874 0.96256 -0.06378 0.03682 0.13246
208 3S 0.72947 -6.24343 -1.78436 1.03020 -0.96750
209 4S -0.42699 -5.55761 3.32799 -1.92142 -1.06236
210 5S -0.02319 0.01905 -0.15040 0.08683 -0.01337
211 6PX -0.00049 -0.01153 -0.00676 0.01550 -0.00290
212 6PY 0.00546 -0.00666 -0.01550 -0.01114 -0.00167
213 6PZ 0.00982 -0.01219 -0.00790 0.00456 -0.00085
214 7PX -0.01469 0.12429 0.08162 -0.11962 0.02751
215 7PY -0.04185 0.07176 0.11962 0.05650 0.01588
216 7PZ -0.06316 0.11254 0.07947 -0.04588 0.01119
217 8PX 0.33570 -1.70214 -1.65027 0.51464 -0.26493
218 8PY 0.54107 -0.98273 -0.51464 1.05602 -0.15296
219 8PZ -0.08478 -1.98453 -0.22421 0.12945 -0.33811
220 9PX -0.61928 -1.92997 0.29278 -0.57549 -0.39111
221 9PY 0.65849 -1.11427 0.57549 0.37173 -0.22581
222 9PZ -0.28327 -2.31387 1.27501 -0.73613 -0.32133
223 10D 0 0.02386 0.01100 -0.00794 0.00458 -0.01294
224 10D+1 -0.00599 0.03131 0.03404 0.00569 0.01174
225 10D-1 0.01981 0.01808 -0.00569 -0.04061 0.00678
226 10D+2 0.00177 0.01598 0.02241 0.00279 -0.00302
227 10D-2 -0.01763 0.02767 0.02308 -0.02241 -0.00523
228 11D 0 -0.13130 -0.04070 0.03166 -0.01828 0.07998
229 11D+1 0.03879 -0.17393 -0.21789 -0.01628 -0.06778
230 11D-1 -0.10699 -0.10042 0.01628 0.23668 -0.03913
231 11D+2 0.00272 -0.09649 -0.13098 -0.00457 0.01636
232 11D-2 0.09359 -0.16713 -0.14667 0.13098 0.02834
233 12D 0 -0.27072 -0.57936 0.65417 -0.37769 -0.12210
234 12D+1 -0.17513 -0.99771 0.02537 -0.31453 -0.16770
235 12D-1 -0.03435 -0.57603 0.31453 0.33782 -0.09682
236 12D+2 -0.29450 -0.17744 -0.60949 -0.50893 -0.01900
237 12D-2 0.36578 -0.30734 -0.19485 0.60949 -0.03291
238 13F 0 0.01714 0.01768 -0.01811 0.01046 -0.01568
239 13F+1 -0.00300 0.02355 -0.01327 0.01170 0.00228
240 13F-1 0.06061 0.01360 -0.01170 -0.00025 0.00131
241 13F+2 0.00338 0.02812 0.02833 0.05816 0.00552
242 13F-2 0.00150 0.04870 -0.02544 -0.02833 0.00956
243 13F+3 0.00668 0.00000 0.00570 0.00986 0.00000
244 13F-3 -0.00670 0.00691 0.04122 -0.02380 -0.01941
245 14F 0 -0.16486 -0.09806 0.23133 -0.13356 0.10420
246 14F+1 -0.02794 -0.29681 0.13406 -0.12103 -0.04624
247 14F-1 -0.51109 -0.17137 0.12103 0.00568 -0.02670
248 14F+2 -0.02623 -0.29486 -0.31886 -0.51000 -0.05556
249 14F-2 0.00541 -0.51072 0.14181 0.31886 -0.09622
250 14F+3 -0.06811 0.00000 -0.09435 -0.16342 0.00000
251 14F-3 0.09024 -0.11555 -0.43019 0.24837 0.12397
252 15G 0 0.00105 0.00675 -0.00035 0.00020 -0.00385
253 15G+1 -0.00195 -0.00144 0.00454 -0.00240 -0.00837
254 15G-1 -0.00032 -0.00083 0.00240 -0.00177 -0.00483
255 15G+2 -0.00327 -0.00393 0.00205 0.00151 -0.00065
256 15G-2 -0.00066 -0.00680 0.00086 -0.00205 -0.00112
257 15G+3 -0.00117 0.00000 -0.00216 -0.00374 0.00000
258 15G-3 0.00070 -0.00150 0.00060 -0.00035 -0.00328
259 15G+4 -0.00197 0.00177 -0.00457 -0.00619 0.00387
260 15G-4 0.00167 -0.00306 -0.00091 -0.00457 -0.00671
116 117 118 119 120
(A2)--V (E)--V (E)--V (A1)--V (A1)--V
Eigenvalues -- 4.53972 4.55416 4.55416 4.64018 4.70942
1 1 P 1S 0.00000 0.00000 0.00000 0.05110 0.09164
2 2S 0.00000 0.00000 0.00000 -0.02717 -0.00303
3 3S 0.00000 0.00000 0.00000 0.52750 1.10284
4 4S 0.00000 0.00000 0.00000 0.68602 2.41662
5 5S 0.00000 0.00000 0.00000 -3.68343 -8.71153
6 6S 0.00000 0.00000 0.00000 14.51412 23.64141
7 7S 0.00000 0.00000 0.00000 4.39760 4.61435
8 8PX 0.00000 0.00000 0.02339 0.00000 0.00000
9 8PY 0.00000 0.02339 0.00000 0.00000 0.00000
10 8PZ 0.00000 0.00000 0.00000 0.01871 -0.05011
11 9PX 0.00000 0.00000 0.24126 0.00000 0.00000
12 9PY 0.00000 0.24126 0.00000 0.00000 0.00000
13 9PZ 0.00000 0.00000 0.00000 0.20517 0.38709
14 10PX 0.00000 0.00000 1.33534 0.00000 0.00000
15 10PY 0.00000 1.33534 0.00000 0.00000 0.00000
16 10PZ 0.00000 0.00000 0.00000 1.07681 1.71388
17 11PX 0.00000 0.00000 -3.70497 0.00000 0.00000
18 11PY 0.00000 -3.70497 0.00000 0.00000 0.00000
19 11PZ 0.00000 0.00000 0.00000 -2.75639 -2.84747
20 12PX 0.00000 0.00000 -1.73671 0.00000 0.00000
21 12PY 0.00000 -1.73671 0.00000 0.00000 0.00000
22 12PZ 0.00000 0.00000 0.00000 -5.53253 -9.06422
23 13PX 0.00000 0.00000 -0.21095 0.00000 0.00000
24 13PY 0.00000 -0.21095 0.00000 0.00000 0.00000
25 13PZ 0.00000 0.00000 0.00000 -0.85531 -0.65432
26 14D 0 0.00000 0.00000 0.00000 -0.46284 -0.24171
27 14D+1 0.00000 0.00000 -0.09775 0.00000 0.00000
28 14D-1 0.00000 -0.09775 0.00000 0.00000 0.00000
29 14D+2 0.00000 1.80636 0.00000 0.00000 0.00000
30 14D-2 0.00000 0.00000 1.80636 0.00000 0.00000
31 15D 0 0.00000 0.00000 0.00000 -0.23682 -0.63147
32 15D+1 0.00000 0.00000 0.99824 0.00000 0.00000
33 15D-1 0.00000 0.99824 0.00000 0.00000 0.00000
34 15D+2 0.00000 4.09891 0.00000 0.00000 0.00000
35 15D-2 0.00000 0.00000 4.09891 0.00000 0.00000
36 16D 0 0.00000 0.00000 0.00000 0.09206 0.06021
37 16D+1 0.00000 0.00000 0.24874 0.00000 0.00000
38 16D-1 0.00000 0.24874 0.00000 0.00000 0.00000
39 16D+2 0.00000 -0.69127 0.00000 0.00000 0.00000
40 16D-2 0.00000 0.00000 -0.69127 0.00000 0.00000
41 17D 0 0.00000 0.00000 0.00000 0.09167 -0.06357
42 17D+1 0.00000 0.00000 0.06124 0.00000 0.00000
43 17D-1 0.00000 0.06124 0.00000 0.00000 0.00000
44 17D+2 0.00000 -0.01102 0.00000 0.00000 0.00000
45 17D-2 0.00000 0.00000 -0.01102 0.00000 0.00000
46 18F 0 0.00000 0.00000 0.00000 0.79983 1.14857
47 18F+1 0.00000 0.00000 0.62207 0.00000 0.00000
48 18F-1 0.00000 0.62207 0.00000 0.00000 0.00000
49 18F+2 0.00000 -0.61223 0.00000 0.00000 0.00000
50 18F-2 0.00000 0.00000 -0.61223 0.00000 0.00000
51 18F+3 0.65762 0.00000 0.00000 0.00000 0.00000
52 18F-3 0.00000 0.00000 0.00000 -0.98982 -1.25151
53 19F 0 0.00000 0.00000 0.00000 0.61438 0.15106
54 19F+1 0.00000 0.00000 0.99280 0.00000 0.00000
55 19F-1 0.00000 0.99280 0.00000 0.00000 0.00000
56 19F+2 0.00000 -3.01076 0.00000 0.00000 0.00000
57 19F-2 0.00000 0.00000 -3.01076 0.00000 0.00000
58 19F+3 2.69704 0.00000 0.00000 0.00000 0.00000
59 19F-3 0.00000 0.00000 0.00000 -0.09943 -0.43767
60 20F 0 0.00000 0.00000 0.00000 0.06623 0.70290
61 20F+1 0.00000 0.00000 -0.24026 0.00000 0.00000
62 20F-1 0.00000 -0.24026 0.00000 0.00000 0.00000
63 20F+2 0.00000 0.80556 0.00000 0.00000 0.00000
64 20F-2 0.00000 0.00000 0.80556 0.00000 0.00000
65 20F+3 -0.23936 0.00000 0.00000 0.00000 0.00000
66 20F-3 0.00000 0.00000 0.00000 -0.37897 -0.66728
67 21G 0 0.00000 0.00000 0.00000 -0.60531 -0.02611
68 21G+1 0.00000 0.00000 -0.99491 0.00000 0.00000
69 21G-1 0.00000 -0.99491 0.00000 0.00000 0.00000
70 21G+2 0.00000 0.62436 0.00000 0.00000 0.00000
71 21G-2 0.00000 0.00000 0.62436 0.00000 0.00000
72 21G+3 -1.87687 0.00000 0.00000 0.00000 0.00000
73 21G-3 0.00000 0.00000 0.00000 0.39151 0.63041
74 21G+4 0.00000 -0.45318 0.00000 0.00000 0.00000
75 21G-4 0.00000 0.00000 0.45318 0.00000 0.00000
76 22G 0 0.00000 0.00000 0.00000 0.43701 -0.32700
77 22G+1 0.00000 0.00000 0.17565 0.00000 0.00000
78 22G-1 0.00000 0.17565 0.00000 0.00000 0.00000
79 22G+2 0.00000 0.01427 0.00000 0.00000 0.00000
80 22G-2 0.00000 0.00000 0.01427 0.00000 0.00000
81 22G+3 0.21589 0.00000 0.00000 0.00000 0.00000
82 22G-3 0.00000 0.00000 0.00000 0.24685 0.15542
83 22G+4 0.00000 0.25838 0.00000 0.00000 0.00000
84 22G-4 0.00000 0.00000 -0.25838 0.00000 0.00000
85 23H 0 0.00000 0.00000 0.00000 -0.44976 -0.15287
86 23H+1 0.00000 0.00000 -0.06318 0.00000 0.00000
87 23H-1 0.00000 -0.06318 0.00000 0.00000 0.00000
88 23H+2 0.00000 0.32420 0.00000 0.00000 0.00000
89 23H-2 0.00000 0.00000 0.32420 0.00000 0.00000
90 23H+3 0.44776 0.00000 0.00000 0.00000 0.00000
91 23H-3 0.00000 0.00000 0.00000 -0.09118 -0.19915
92 23H+4 0.00000 -0.08013 0.00000 0.00000 0.00000
93 23H-4 0.00000 0.00000 0.08013 0.00000 0.00000
94 23H+5 0.00000 0.00000 0.21450 0.00000 0.00000
95 23H-5 0.00000 -0.21450 0.00000 0.00000 0.00000
96 2 H 1S 0.00000 0.01375 0.00000 -0.01007 -0.02015
97 2S 0.00000 -0.66706 0.00000 0.67024 0.83661
98 3S 0.00000 4.13918 0.00000 -2.47595 -3.27841
99 4S 0.00000 2.04353 0.00000 -4.84761 -7.19633
100 5S 0.00000 0.30066 0.00000 -0.36088 -0.11106
101 6PX -0.00302 0.00000 -0.01904 0.00000 0.00000
102 6PY 0.00000 0.00248 0.00000 -0.01781 0.03861
103 6PZ 0.00000 -0.00938 0.00000 -0.02653 -0.01695
104 7PX 0.02176 0.00000 0.10421 0.00000 0.00000
105 7PY 0.00000 0.01419 0.00000 0.11422 -0.27230
106 7PZ 0.00000 0.04084 0.00000 0.17137 0.12342
107 8PX 1.16414 0.00000 -0.95905 0.00000 0.00000
108 8PY 0.00000 -1.34169 0.00000 0.60281 1.18291
109 8PZ 0.00000 1.66907 0.00000 -0.67486 -0.80016
110 9PX 1.17428 0.00000 -1.28918 0.00000 0.00000
111 9PY 0.00000 -0.79709 0.00000 2.13565 2.90712
112 9PZ 0.00000 1.85308 0.00000 -1.37008 -1.89709
113 10D 0 0.00000 -0.00869 0.00000 -0.06022 0.02716
114 10D+1 -0.05002 0.00000 -0.04542 0.00000 0.00000
115 10D-1 0.00000 0.03225 0.00000 0.00622 0.01153
116 10D+2 0.00000 0.02069 0.00000 -0.00568 0.00797
117 10D-2 -0.02737 0.00000 0.03926 0.00000 0.00000
118 11D 0 0.00000 0.02241 0.00000 0.37304 -0.16258
119 11D+1 0.26873 0.00000 0.28820 0.00000 0.00000
120 11D-1 0.00000 -0.19512 0.00000 -0.07437 -0.12593
121 11D+2 0.00000 -0.14941 0.00000 0.03813 -0.09208
122 11D-2 0.18973 0.00000 -0.29336 0.00000 0.00000
123 12D 0 0.00000 0.69597 0.00000 -0.05650 0.02049
124 12D+1 0.77013 0.00000 -0.38228 0.00000 0.00000
125 12D-1 0.00000 -1.26174 0.00000 0.70954 0.73838
126 12D+2 0.00000 -0.18246 0.00000 0.39032 0.54260
127 12D-2 -1.20415 0.00000 1.43879 0.00000 0.00000
128 13F 0 0.00000 0.02299 0.00000 -0.02227 0.00660
129 13F+1 -0.03689 0.00000 -0.04358 0.00000 0.00000
130 13F-1 0.00000 0.04877 0.00000 0.01280 -0.02842
131 13F+2 0.00000 0.03001 0.00000 -0.01045 0.01773
132 13F-2 0.06435 0.00000 -0.00330 0.00000 0.00000
133 13F+3 0.00864 0.00000 -0.03105 0.00000 0.00000
134 13F-3 0.00000 -0.01116 0.00000 0.01578 -0.00934
135 14F 0 0.00000 -0.23149 0.00000 0.21548 -0.03184
136 14F+1 0.33647 0.00000 0.37549 0.00000 0.00000
137 14F-1 0.00000 -0.54356 0.00000 -0.09609 0.25006
138 14F+2 0.00000 -0.37549 0.00000 0.13284 -0.10756
139 14F-2 -0.64978 0.00000 0.10354 0.00000 0.00000
140 14F+3 -0.15068 0.00000 0.34928 0.00000 0.00000
141 14F-3 0.00000 0.10592 0.00000 -0.12207 0.03091
142 15G 0 0.00000 -0.00533 0.00000 0.00456 0.00076
143 15G+1 -0.00424 0.00000 0.00141 0.00000 0.00000
144 15G-1 0.00000 -0.00631 0.00000 -0.00047 -0.00635
145 15G+2 0.00000 -0.01069 0.00000 0.00783 -0.00088
146 15G-2 0.00269 0.00000 0.00381 0.00000 0.00000
147 15G+3 -0.00903 0.00000 0.01520 0.00000 0.00000
148 15G-3 0.00000 0.00256 0.00000 -0.00442 -0.00812
149 15G+4 0.00000 -0.00291 0.00000 0.00554 -0.00636
150 15G-4 0.01016 0.00000 -0.01555 0.00000 0.00000
151 3 H 1S 0.00000 -0.00687 0.01191 -0.01007 -0.02015
152 2S 0.00000 0.33353 -0.57769 0.67024 0.83661
153 3S 0.00000 -2.06959 3.58464 -2.47595 -3.27841
154 4S 0.00000 -1.02177 1.76975 -4.84761 -7.19633
155 5S 0.00000 -0.15033 0.26038 -0.36088 -0.11106
156 6PX 0.00151 -0.00932 -0.00290 -0.01542 0.03343
157 6PY 0.00261 -0.01366 -0.00932 0.00890 -0.01930
158 6PZ 0.00000 0.00469 -0.00812 -0.02653 -0.01695
159 7PX -0.01088 0.03898 0.03670 0.09891 -0.23582
160 7PY -0.01884 0.08171 0.03898 -0.05711 0.13615
161 7PZ 0.00000 -0.02042 0.03537 0.17137 0.12342
162 8PX -0.58207 0.16569 -1.24603 0.52205 1.02443
163 8PY -1.00817 -1.05471 0.16569 -0.30140 -0.59146
164 8PZ 0.00000 -0.83453 1.44545 -0.67486 -0.80016
165 9PX -0.58714 -0.21308 -0.92012 1.84953 2.51764
166 9PY -1.01695 -1.16616 -0.21308 -1.06782 -1.45356
167 9PZ 0.00000 -0.92654 1.60482 -1.37008 -1.89709
168 10D 0 0.00000 0.00434 -0.00752 -0.06022 0.02716
169 10D+1 0.02501 -0.03363 0.01283 0.00538 0.00998
170 10D-1 0.04332 -0.02600 -0.03363 -0.00311 -0.00576
171 10D+2 0.02371 0.03462 0.00804 0.00284 -0.00399
172 10D-2 0.01369 0.00804 0.02533 -0.00492 0.00690
173 11D 0 0.00000 -0.01121 0.01941 0.37304 -0.16258
174 11D+1 -0.13436 0.20929 -0.07429 -0.06441 -0.10905
175 11D-1 -0.23272 0.16737 0.20929 0.03719 0.06296
176 11D+2 -0.16431 -0.25737 -0.06233 -0.01907 0.04604
177 11D-2 -0.09486 -0.06233 -0.18540 0.03303 -0.07974
178 12D 0 0.00000 -0.34799 0.60273 -0.05650 0.02049
179 12D+1 -0.38507 0.38082 -1.04188 0.61448 0.63946
180 12D-1 -0.66696 -0.60215 0.38082 -0.35477 -0.36919
181 12D+2 1.04283 1.03347 0.70202 -0.19516 -0.27130
182 12D-2 0.60208 0.70202 0.22285 0.33803 0.46990
183 13F 0 0.00000 -0.01150 0.01991 -0.02227 0.00660
184 13F+1 0.01844 -0.03999 0.02568 0.01108 -0.02461
185 13F-1 0.03194 -0.02049 -0.03999 -0.00640 0.01421
186 13F+2 -0.05572 0.00502 -0.01443 0.00523 -0.00887
187 13F-2 -0.03217 -0.01443 0.02168 -0.00905 0.01536
188 13F+3 0.00864 0.02689 0.01553 0.00000 0.00000
189 13F-3 0.00000 0.00558 -0.00967 0.01578 -0.00934
190 14F 0 0.00000 0.11574 -0.20047 0.21548 -0.03184
191 14F+1 -0.16823 0.39796 -0.31379 -0.08322 0.21655
192 14F-1 -0.29139 0.14573 0.39796 0.04805 -0.12503
193 14F+2 0.56273 -0.01621 0.20743 -0.06642 0.05378
194 14F-2 0.32489 0.20743 -0.25573 0.11505 -0.09315
195 14F+3 -0.15068 -0.30249 -0.17464 0.00000 0.00000
196 14F-3 0.00000 -0.05296 0.09173 -0.12207 0.03091
197 15G 0 0.00000 0.00267 -0.00462 0.00456 0.00076
198 15G+1 0.00212 0.00334 -0.00438 -0.00041 -0.00550
199 15G-1 0.00367 -0.00052 0.00334 0.00024 0.00317
200 15G+2 -0.00233 0.00019 0.00628 -0.00391 0.00044
201 15G-2 -0.00135 0.00628 -0.00706 0.00678 -0.00076
202 15G+3 -0.00903 -0.01316 -0.00760 0.00000 0.00000
203 15G-3 0.00000 -0.00128 0.00222 -0.00442 -0.00812
204 15G+4 0.00880 0.01093 0.00799 -0.00277 0.00318
205 15G-4 -0.00508 -0.00799 -0.00170 -0.00480 0.00551
206 4 H 1S 0.00000 -0.00687 -0.01191 -0.01007 -0.02015
207 2S 0.00000 0.33353 0.57769 0.67024 0.83661
208 3S 0.00000 -2.06959 -3.58464 -2.47595 -3.27841
209 4S 0.00000 -1.02177 -1.76975 -4.84761 -7.19633
210 5S 0.00000 -0.15033 -0.26038 -0.36088 -0.11106
211 6PX 0.00151 0.00932 -0.00290 0.01542 -0.03343
212 6PY -0.00261 -0.01366 0.00932 0.00890 -0.01930
213 6PZ 0.00000 0.00469 0.00812 -0.02653 -0.01695
214 7PX -0.01088 -0.03898 0.03670 -0.09891 0.23582
215 7PY 0.01884 0.08171 -0.03898 -0.05711 0.13615
216 7PZ 0.00000 -0.02042 -0.03537 0.17137 0.12342
217 8PX -0.58207 -0.16569 -1.24603 -0.52205 -1.02443
218 8PY 1.00817 -1.05471 -0.16569 -0.30140 -0.59146
219 8PZ 0.00000 -0.83453 -1.44545 -0.67486 -0.80016
220 9PX -0.58714 0.21308 -0.92012 -1.84953 -2.51764
221 9PY 1.01695 -1.16616 0.21308 -1.06782 -1.45356
222 9PZ 0.00000 -0.92654 -1.60482 -1.37008 -1.89709
223 10D 0 0.00000 0.00434 0.00752 -0.06022 0.02716
224 10D+1 0.02501 0.03363 0.01283 -0.00538 -0.00998
225 10D-1 -0.04332 -0.02600 0.03363 -0.00311 -0.00576
226 10D+2 -0.02371 0.03462 -0.00804 0.00284 -0.00399
227 10D-2 0.01369 -0.00804 0.02533 0.00492 -0.00690
228 11D 0 0.00000 -0.01121 -0.01941 0.37304 -0.16258
229 11D+1 -0.13436 -0.20929 -0.07429 0.06441 0.10905
230 11D-1 0.23272 0.16737 -0.20929 0.03719 0.06296
231 11D+2 0.16431 -0.25737 0.06233 -0.01907 0.04604
232 11D-2 -0.09486 0.06233 -0.18540 -0.03303 0.07974
233 12D 0 0.00000 -0.34799 -0.60273 -0.05650 0.02049
234 12D+1 -0.38507 -0.38082 -1.04188 -0.61448 -0.63946
235 12D-1 0.66696 -0.60215 -0.38082 -0.35477 -0.36919
236 12D+2 -1.04283 1.03347 -0.70202 -0.19516 -0.27130
237 12D-2 0.60208 -0.70202 0.22285 -0.33803 -0.46990
238 13F 0 0.00000 -0.01150 -0.01991 -0.02227 0.00660
239 13F+1 0.01844 0.03999 0.02568 -0.01108 0.02461
240 13F-1 -0.03194 -0.02049 0.03999 -0.00640 0.01421
241 13F+2 0.05572 0.00502 0.01443 0.00523 -0.00887
242 13F-2 -0.03217 0.01443 0.02168 0.00905 -0.01536
243 13F+3 0.00864 -0.02689 0.01553 0.00000 0.00000
244 13F-3 0.00000 0.00558 0.00967 0.01578 -0.00934
245 14F 0 0.00000 0.11574 0.20047 0.21548 -0.03184
246 14F+1 -0.16823 -0.39796 -0.31379 0.08322 -0.21655
247 14F-1 0.29139 0.14573 -0.39796 0.04805 -0.12503
248 14F+2 -0.56273 -0.01621 -0.20743 -0.06642 0.05378
249 14F-2 0.32489 -0.20743 -0.25573 -0.11505 0.09315
250 14F+3 -0.15068 0.30249 -0.17464 0.00000 0.00000
251 14F-3 0.00000 -0.05296 -0.09173 -0.12207 0.03091
252 15G 0 0.00000 0.00267 0.00462 0.00456 0.00076
253 15G+1 0.00212 -0.00334 -0.00438 0.00041 0.00550
254 15G-1 -0.00367 -0.00052 -0.00334 0.00024 0.00317
255 15G+2 0.00233 0.00019 -0.00628 -0.00391 0.00044
256 15G-2 -0.00135 -0.00628 -0.00706 -0.00678 0.00076
257 15G+3 -0.00903 0.01316 -0.00760 0.00000 0.00000
258 15G-3 0.00000 -0.00128 -0.00222 -0.00442 -0.00812
259 15G+4 -0.00880 0.01093 -0.00799 -0.00277 0.00318
260 15G-4 -0.00508 0.00799 -0.00170 0.00480 -0.00551
121 122 123 124 125
(E)--V (E)--V (A2)--V (E)--V (E)--V
Eigenvalues -- 4.71479 4.71479 4.84804 4.90487 4.90487
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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 0.00000 -0.04184 0.00000 0.00000 0.02952
9 8PY -0.04184 0.00000 0.00000 -0.02952 0.00000
10 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
11 9PX 0.00000 0.03340 0.00000 0.00000 -0.09043
12 9PY 0.03340 0.00000 0.00000 0.09043 0.00000
13 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
14 10PX 0.00000 -0.06706 0.00000 0.00000 -0.25608
15 10PY -0.06706 0.00000 0.00000 0.25608 0.00000
16 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000
17 11PX 0.00000 1.07244 0.00000 0.00000 -0.56237
18 11PY 1.07244 0.00000 0.00000 0.56237 0.00000
19 11PZ 0.00000 0.00000 0.00000 0.00000 0.00000
20 12PX 0.00000 -0.23240 0.00000 0.00000 0.02186
21 12PY -0.23240 0.00000 0.00000 -0.02186 0.00000
22 12PZ 0.00000 0.00000 0.00000 0.00000 0.00000
23 13PX 0.00000 0.14923 0.00000 0.00000 -0.13500
24 13PY 0.14923 0.00000 0.00000 0.13500 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 0.00000 -0.45438 0.00000 0.00000 0.40883
28 14D-1 -0.45438 0.00000 0.00000 -0.40883 0.00000
29 14D+2 0.90463 0.00000 0.00000 0.07182 0.00000
30 14D-2 0.00000 0.90463 0.00000 0.00000 -0.07182
31 15D 0 0.00000 0.00000 0.00000 0.00000 0.00000
32 15D+1 0.00000 -2.06287 0.00000 0.00000 1.35458
33 15D-1 -2.06287 0.00000 0.00000 -1.35458 0.00000
34 15D+2 1.70089 0.00000 0.00000 0.15320 0.00000
35 15D-2 0.00000 1.70089 0.00000 0.00000 -0.15320
36 16D 0 0.00000 0.00000 0.00000 0.00000 0.00000
37 16D+1 0.00000 0.26024 0.00000 0.00000 -0.07959
38 16D-1 0.26024 0.00000 0.00000 0.07959 0.00000
39 16D+2 -0.54924 0.00000 0.00000 -0.15271 0.00000
40 16D-2 0.00000 -0.54924 0.00000 0.00000 0.15271
41 17D 0 0.00000 0.00000 0.00000 0.00000 0.00000
42 17D+1 0.00000 -0.03475 0.00000 0.00000 0.07486
43 17D-1 -0.03475 0.00000 0.00000 -0.07486 0.00000
44 17D+2 -0.03062 0.00000 0.00000 0.05367 0.00000
45 17D-2 0.00000 -0.03062 0.00000 0.00000 -0.05367
46 18F 0 0.00000 0.00000 0.00000 0.00000 0.00000
47 18F+1 0.00000 0.09179 0.00000 0.00000 -0.65544
48 18F-1 0.09179 0.00000 0.00000 0.65544 0.00000
49 18F+2 -0.43738 0.00000 0.00000 0.06692 0.00000
50 18F-2 0.00000 -0.43738 0.00000 0.00000 -0.06692
51 18F+3 0.00000 0.00000 -0.25221 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 2.76950 0.00000 0.00000 -0.76567
55 19F-1 2.76950 0.00000 0.00000 0.76567 0.00000
56 19F+2 -0.35623 0.00000 0.00000 0.45954 0.00000
57 19F-2 0.00000 -0.35623 0.00000 0.00000 -0.45954
58 19F+3 0.00000 0.00000 2.62170 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 -1.20422 0.00000 0.00000 -0.55616
62 20F-1 -1.20422 0.00000 0.00000 0.55616 0.00000
63 20F+2 -0.05101 0.00000 0.00000 -0.12209 0.00000
64 20F-2 0.00000 -0.05101 0.00000 0.00000 0.12209
65 20F+3 0.00000 0.00000 -1.58163 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 -0.59820 0.00000 0.00000 0.87374
69 21G-1 -0.59820 0.00000 0.00000 -0.87374 0.00000
70 21G+2 0.04993 0.00000 0.00000 -0.50887 0.00000
71 21G-2 0.00000 0.04993 0.00000 0.00000 0.50887
72 21G+3 0.00000 0.00000 -0.38642 0.00000 0.00000
73 21G-3 0.00000 0.00000 0.00000 0.00000 0.00000
74 21G+4 0.05748 0.00000 0.00000 -0.21868 0.00000
75 21G-4 0.00000 -0.05748 0.00000 0.00000 -0.21868
76 22G 0 0.00000 0.00000 0.00000 0.00000 0.00000
77 22G+1 0.00000 -0.09349 0.00000 0.00000 -0.44730
78 22G-1 -0.09349 0.00000 0.00000 0.44730 0.00000
79 22G+2 -0.34668 0.00000 0.00000 0.01772 0.00000
80 22G-2 0.00000 -0.34668 0.00000 0.00000 -0.01772
81 22G+3 0.00000 0.00000 -0.54384 0.00000 0.00000
82 22G-3 0.00000 0.00000 0.00000 0.00000 0.00000
83 22G+4 -0.11514 0.00000 0.00000 -0.29199 0.00000
84 22G-4 0.00000 0.11514 0.00000 0.00000 -0.29199
85 23H 0 0.00000 0.00000 0.00000 0.00000 0.00000
86 23H+1 0.00000 -0.07705 0.00000 0.00000 0.03985
87 23H-1 -0.07705 0.00000 0.00000 -0.03985 0.00000
88 23H+2 0.12067 0.00000 0.00000 0.45750 0.00000
89 23H-2 0.00000 0.12067 0.00000 0.00000 -0.45750
90 23H+3 0.00000 0.00000 0.01391 0.00000 0.00000
91 23H-3 0.00000 0.00000 0.00000 0.00000 0.00000
92 23H+4 -0.26007 0.00000 0.00000 0.18715 0.00000
93 23H-4 0.00000 0.26007 0.00000 0.00000 0.18715
94 23H+5 0.00000 0.24903 0.00000 0.00000 0.31657
95 23H-5 -0.24903 0.00000 0.00000 0.31657 0.00000
96 2 H 1S -0.00385 0.00000 0.00000 -0.00788 0.00000
97 2S 0.23926 0.00000 0.00000 0.36639 0.00000
98 3S -0.70263 0.00000 0.00000 -0.85397 0.00000
99 4S 0.42902 0.00000 0.00000 -1.12468 0.00000
100 5S -0.23448 0.00000 0.00000 -0.13028 0.00000
101 6PX 0.00000 0.00671 0.00787 0.00000 -0.03466
102 6PY -0.01086 0.00000 0.00000 -0.02212 0.00000
103 6PZ 0.01493 0.00000 0.00000 -0.01849 0.00000
104 7PX 0.00000 -0.04432 -0.04683 0.00000 0.24034
105 7PY 0.07636 0.00000 0.00000 0.16380 0.00000
106 7PZ -0.08160 0.00000 0.00000 0.12012 0.00000
107 8PX 0.00000 -0.55583 0.57548 0.00000 -0.39137
108 8PY 0.83576 0.00000 0.00000 0.64398 0.00000
109 8PZ 0.64930 0.00000 0.00000 0.33760 0.00000
110 9PX 0.00000 -0.93694 0.42376 0.00000 -0.02682
111 9PY 0.66675 0.00000 0.00000 1.48355 0.00000
112 9PZ 0.80190 0.00000 0.00000 0.50923 0.00000
113 10D 0 0.04949 0.00000 0.00000 0.01558 0.00000
114 10D+1 0.00000 -0.00367 0.02346 0.00000 -0.01170
115 10D-1 -0.04785 0.00000 0.00000 0.01624 0.00000
116 10D+2 0.00956 0.00000 0.00000 -0.02207 0.00000
117 10D-2 0.00000 -0.00981 -0.04495 0.00000 0.04573
118 11D 0 -0.34589 0.00000 0.00000 -0.11516 0.00000
119 11D+1 0.00000 0.03782 -0.16836 0.00000 0.08555
120 11D-1 0.33003 0.00000 0.00000 -0.09490 0.00000
121 11D+2 -0.07137 0.00000 0.00000 0.09462 0.00000
122 11D-2 0.00000 0.02097 0.30530 0.00000 -0.29992
123 12D 0 1.21660 0.00000 0.00000 0.99859 0.00000
124 12D+1 0.00000 -0.28049 0.57038 0.00000 -0.20538
125 12D-1 -0.48069 0.00000 0.00000 -0.05750 0.00000
126 12D+2 0.85338 0.00000 0.00000 0.88558 0.00000
127 12D-2 0.00000 0.95062 -0.66942 0.00000 0.18470
128 13F 0 -0.02236 0.00000 0.00000 -0.03066 0.00000
129 13F+1 0.00000 -0.01198 -0.01405 0.00000 0.02520
130 13F-1 0.01345 0.00000 0.00000 0.05309 0.00000
131 13F+2 -0.01886 0.00000 0.00000 -0.02429 0.00000
132 13F-2 0.00000 -0.00828 0.00401 0.00000 0.01376
133 13F+3 0.00000 -0.06338 -0.01070 0.00000 0.02741
134 13F-3 0.02624 0.00000 0.00000 0.02487 0.00000
135 14F 0 0.24362 0.00000 0.00000 0.26836 0.00000
136 14F+1 0.00000 0.12052 0.16583 0.00000 -0.20058
137 14F-1 -0.21290 0.00000 0.00000 -0.53111 0.00000
138 14F+2 0.20253 0.00000 0.00000 0.21403 0.00000
139 14F-2 0.00000 0.14815 -0.11718 0.00000 -0.06659
140 14F+3 0.00000 0.64623 0.05984 0.00000 -0.19968
141 14F-3 -0.32426 0.00000 0.00000 -0.27550 0.00000
142 15G 0 -0.01127 0.00000 0.00000 -0.00503 0.00000
143 15G+1 0.00000 0.00313 0.00086 0.00000 0.01041
144 15G-1 -0.01423 0.00000 0.00000 0.00329 0.00000
145 15G+2 -0.01512 0.00000 0.00000 -0.00709 0.00000
146 15G-2 0.00000 0.00144 -0.01102 0.00000 -0.00298
147 15G+3 0.00000 0.00997 -0.01428 0.00000 0.00865
148 15G-3 -0.00344 0.00000 0.00000 -0.00313 0.00000
149 15G+4 -0.00635 0.00000 0.00000 -0.00793 0.00000
150 15G-4 0.00000 -0.00834 0.00756 0.00000 -0.00706
151 3 H 1S 0.00193 -0.00333 0.00000 0.00394 0.00683
152 2S -0.11963 0.20720 0.00000 -0.18319 -0.31730
153 3S 0.35132 -0.60850 0.00000 0.42698 0.73956
154 4S -0.21451 0.37154 0.00000 0.56234 0.97400
155 5S 0.11724 -0.20306 0.00000 0.06514 0.11283
156 6PX 0.00761 -0.00647 -0.00394 0.02459 0.00793
157 6PY 0.00232 0.00761 -0.00682 0.02046 -0.02459
158 6PZ -0.00747 0.01293 0.00000 0.00925 0.01601
159 7PX -0.05226 0.04619 0.02341 -0.17500 -0.06276
160 7PY -0.01415 -0.05226 0.04055 -0.13931 0.17500
161 7PZ 0.04080 -0.07067 0.00000 -0.06006 -0.10402
162 8PX -0.60258 0.48786 -0.28774 -0.10939 -0.58083
163 8PY -0.20793 -0.60258 -0.49838 0.45452 0.10939
164 8PZ -0.32465 0.56231 0.00000 -0.16880 -0.29237
165 9PX -0.69442 0.26583 -0.21188 -0.63078 -1.11937
166 9PY -0.53602 -0.69442 -0.36699 0.39100 0.63078
167 9PZ -0.40095 0.69447 0.00000 -0.25461 -0.44101
168 10D 0 -0.02475 0.04286 0.00000 -0.00779 -0.01350
169 10D+1 0.01913 -0.03680 -0.01173 -0.00196 -0.01510
170 10D-1 -0.01471 0.01913 -0.02032 0.01284 0.00196
171 10D+2 -0.00497 -0.00839 0.03893 -0.03981 0.01025
172 10D-2 -0.00839 0.00472 0.02247 -0.01025 0.02798
173 11D 0 0.17294 -0.29955 0.00000 0.05758 0.09973
174 11D+1 -0.12653 0.25698 0.08418 0.00405 0.09256
175 11D-1 0.11087 -0.12653 0.14580 -0.08789 -0.00405
176 11D+2 -0.00212 0.03998 -0.26439 0.24860 -0.08890
177 11D-2 0.03998 -0.04828 -0.15265 0.08890 -0.14595
178 12D 0 -0.60830 1.05361 0.00000 -0.49929 -0.86480
179 12D+1 0.08669 -0.43064 -0.28519 0.11383 -0.00822
180 12D-1 -0.33054 0.08669 -0.49396 0.13966 -0.11383
181 12D+2 0.92631 0.04211 0.57973 0.08287 0.46344
182 12D-2 0.04211 0.87769 0.33471 -0.46344 -0.61801
183 13F 0 0.01118 -0.01936 0.00000 0.01533 0.02655
184 13F+1 -0.01101 0.00709 0.00703 -0.03390 -0.03351
185 13F-1 -0.00562 -0.01101 0.01217 -0.00563 0.03390
186 13F+2 -0.01093 0.00458 -0.00347 -0.01639 -0.00456
187 13F-2 0.00458 -0.01622 -0.00200 0.00456 0.02166
188 13F+3 0.05489 0.03169 -0.01070 0.02374 -0.01370
189 13F-3 -0.01312 0.02272 0.00000 -0.01244 -0.02154
190 14F 0 -0.12181 0.21098 0.00000 -0.13418 -0.23241
191 14F+1 0.14438 -0.12954 -0.08292 0.31683 0.34819
192 14F-1 0.03717 0.14438 -0.14362 0.01765 -0.31683
193 14F+2 0.16175 -0.02355 0.10148 0.10345 0.06384
194 14F-2 -0.02355 0.18894 0.05859 -0.06384 -0.17717
195 14F+3 -0.55966 -0.32312 0.05984 -0.17293 0.09984
196 14F-3 0.16213 -0.28082 0.00000 0.13775 0.23859
197 15G 0 0.00564 -0.00976 0.00000 0.00252 0.00436
198 15G+1 0.00752 -0.00989 -0.00043 -0.00593 0.00013
199 15G-1 -0.00121 0.00752 -0.00074 -0.00698 0.00593
200 15G+2 -0.00270 0.00717 0.00954 0.00046 -0.00436
201 15G-2 0.00717 -0.01098 0.00551 0.00436 0.00457
202 15G+3 -0.00864 -0.00499 -0.01428 0.00749 -0.00432
203 15G-3 0.00172 -0.00298 0.00000 0.00157 0.00271
204 15G+4 0.00467 0.00636 0.00655 -0.00728 -0.00038
205 15G-4 -0.00636 0.00268 -0.00378 -0.00038 -0.00771
206 4 H 1S 0.00193 0.00333 0.00000 0.00394 -0.00683
207 2S -0.11963 -0.20720 0.00000 -0.18319 0.31730
208 3S 0.35132 0.60850 0.00000 0.42698 -0.73956
209 4S -0.21451 -0.37154 0.00000 0.56234 -0.97400
210 5S 0.11724 0.20306 0.00000 0.06514 -0.11283
211 6PX -0.00761 -0.00647 -0.00394 -0.02459 0.00793
212 6PY 0.00232 -0.00761 0.00682 0.02046 0.02459
213 6PZ -0.00747 -0.01293 0.00000 0.00925 -0.01601
214 7PX 0.05226 0.04619 0.02341 0.17500 -0.06276
215 7PY -0.01415 0.05226 -0.04055 -0.13931 -0.17500
216 7PZ 0.04080 0.07067 0.00000 -0.06006 0.10402
217 8PX 0.60258 0.48786 -0.28774 0.10939 -0.58083
218 8PY -0.20793 0.60258 0.49838 0.45452 -0.10939
219 8PZ -0.32465 -0.56231 0.00000 -0.16880 0.29237
220 9PX 0.69442 0.26583 -0.21188 0.63078 -1.11937
221 9PY -0.53602 0.69442 0.36699 0.39100 -0.63078
222 9PZ -0.40095 -0.69447 0.00000 -0.25461 0.44101
223 10D 0 -0.02475 -0.04286 0.00000 -0.00779 0.01350
224 10D+1 -0.01913 -0.03680 -0.01173 0.00196 -0.01510
225 10D-1 -0.01471 -0.01913 0.02032 0.01284 -0.00196
226 10D+2 -0.00497 0.00839 -0.03893 -0.03981 -0.01025
227 10D-2 0.00839 0.00472 0.02247 0.01025 0.02798
228 11D 0 0.17294 0.29955 0.00000 0.05758 -0.09973
229 11D+1 0.12653 0.25698 0.08418 -0.00405 0.09256
230 11D-1 0.11087 0.12653 -0.14580 -0.08789 0.00405
231 11D+2 -0.00212 -0.03998 0.26439 0.24860 0.08890
232 11D-2 -0.03998 -0.04828 -0.15265 -0.08890 -0.14595
233 12D 0 -0.60830 -1.05361 0.00000 -0.49929 0.86480
234 12D+1 -0.08669 -0.43064 -0.28519 -0.11383 -0.00822
235 12D-1 -0.33054 -0.08669 0.49396 0.13966 0.11383
236 12D+2 0.92631 -0.04211 -0.57973 0.08287 -0.46344
237 12D-2 -0.04211 0.87769 0.33471 0.46344 -0.61801
238 13F 0 0.01118 0.01936 0.00000 0.01533 -0.02655
239 13F+1 0.01101 0.00709 0.00703 0.03390 -0.03351
240 13F-1 -0.00562 0.01101 -0.01217 -0.00563 -0.03390
241 13F+2 -0.01093 -0.00458 0.00347 -0.01639 0.00456
242 13F-2 -0.00458 -0.01622 -0.00200 -0.00456 0.02166
243 13F+3 -0.05489 0.03169 -0.01070 -0.02374 -0.01370
244 13F-3 -0.01312 -0.02272 0.00000 -0.01244 0.02154
245 14F 0 -0.12181 -0.21098 0.00000 -0.13418 0.23241
246 14F+1 -0.14438 -0.12954 -0.08292 -0.31683 0.34819
247 14F-1 0.03717 -0.14438 0.14362 0.01765 0.31683
248 14F+2 0.16175 0.02355 -0.10148 0.10345 -0.06384
249 14F-2 0.02355 0.18894 0.05859 0.06384 -0.17717
250 14F+3 0.55966 -0.32312 0.05984 0.17293 0.09984
251 14F-3 0.16213 0.28082 0.00000 0.13775 -0.23859
252 15G 0 0.00564 0.00976 0.00000 0.00252 -0.00436
253 15G+1 -0.00752 -0.00989 -0.00043 0.00593 0.00013
254 15G-1 -0.00121 -0.00752 0.00074 -0.00698 -0.00593
255 15G+2 -0.00270 -0.00717 -0.00954 0.00046 0.00436
256 15G-2 -0.00717 -0.01098 0.00551 -0.00436 0.00457
257 15G+3 0.00864 -0.00499 -0.01428 -0.00749 -0.00432
258 15G-3 0.00172 0.00298 0.00000 0.00157 -0.00271
259 15G+4 0.00467 -0.00636 -0.00655 -0.00728 0.00038
260 15G-4 0.00636 0.00268 -0.00378 0.00038 -0.00771
126 127 128 129 130
(A1)--V (E)--V (E)--V (E)--V (E)--V
Eigenvalues -- 4.92980 4.95130 4.95130 5.01355 5.01355
1 1 P 1S 0.07025 0.00000 0.00000 0.00000 0.00000
2 2S -0.01347 0.00000 0.00000 0.00000 0.00000
3 3S 0.83590 0.00000 0.00000 0.00000 0.00000
4 4S 1.77419 0.00000 0.00000 0.00000 0.00000
5 5S -3.49197 0.00000 0.00000 0.00000 0.00000
6 6S 4.33482 0.00000 0.00000 0.00000 0.00000
7 7S -2.01524 0.00000 0.00000 0.00000 0.00000
8 8PX 0.00000 0.00000 -0.00188 -0.02974 0.00000
9 8PY 0.00000 -0.00188 0.00000 0.00000 -0.02974
10 8PZ 0.00148 0.00000 0.00000 0.00000 0.00000
11 9PX 0.00000 0.00000 0.13672 0.16019 0.00000
12 9PY 0.00000 0.13672 0.00000 0.00000 0.16019
13 9PZ 0.03935 0.00000 0.00000 0.00000 0.00000
14 10PX 0.00000 0.00000 0.89457 0.59662 0.00000
15 10PY 0.00000 0.89457 0.00000 0.00000 0.59662
16 10PZ 0.23215 0.00000 0.00000 0.00000 0.00000
17 11PX 0.00000 0.00000 -3.37009 -0.21198 0.00000
18 11PY 0.00000 -3.37009 0.00000 0.00000 -0.21198
19 11PZ -0.07990 0.00000 0.00000 0.00000 0.00000
20 12PX 0.00000 0.00000 -7.82782 -0.15326 0.00000
21 12PY 0.00000 -7.82782 0.00000 0.00000 -0.15326
22 12PZ -0.89141 0.00000 0.00000 0.00000 0.00000
23 13PX 0.00000 0.00000 -0.44840 0.00696 0.00000
24 13PY 0.00000 -0.44840 0.00000 0.00000 0.00696
25 13PZ 0.46103 0.00000 0.00000 0.00000 0.00000
26 14D 0 0.15444 0.00000 0.00000 0.00000 0.00000
27 14D+1 0.00000 0.00000 2.85666 0.59096 0.00000
28 14D-1 0.00000 2.85666 0.00000 0.00000 0.59096
29 14D+2 0.00000 2.37001 0.00000 0.00000 0.65036
30 14D-2 0.00000 0.00000 2.37001 0.65036 0.00000
31 15D 0 -0.79362 0.00000 0.00000 0.00000 0.00000
32 15D+1 0.00000 0.00000 3.11485 1.21518 0.00000
33 15D-1 0.00000 3.11485 0.00000 0.00000 1.21518
34 15D+2 0.00000 2.41220 0.00000 0.00000 1.86770
35 15D-2 0.00000 0.00000 2.41220 1.86770 0.00000
36 16D 0 0.18362 0.00000 0.00000 0.00000 0.00000
37 16D+1 0.00000 0.00000 -0.22935 -0.45769 0.00000
38 16D-1 0.00000 -0.22935 0.00000 0.00000 -0.45769
39 16D+2 0.00000 -0.15759 0.00000 0.00000 -0.54551
40 16D-2 0.00000 0.00000 -0.15759 -0.54551 0.00000
41 17D 0 -0.00263 0.00000 0.00000 0.00000 0.00000
42 17D+1 0.00000 0.00000 -0.02253 -0.06233 0.00000
43 17D-1 0.00000 -0.02253 0.00000 0.00000 -0.06233
44 17D+2 0.00000 0.02153 0.00000 0.00000 -0.02468
45 17D-2 0.00000 0.00000 0.02153 -0.02468 0.00000
46 18F 0 -0.26149 0.00000 0.00000 0.00000 0.00000
47 18F+1 0.00000 0.00000 -0.44477 -0.46435 0.00000
48 18F-1 0.00000 -0.44477 0.00000 0.00000 -0.46435
49 18F+2 0.00000 -1.34263 0.00000 0.00000 -0.41087
50 18F-2 0.00000 0.00000 -1.34263 -0.41087 0.00000
51 18F+3 0.00000 0.00000 0.00000 0.00000 0.00000
52 18F-3 0.17243 0.00000 0.00000 0.00000 0.00000
53 19F 0 1.50856 0.00000 0.00000 0.00000 0.00000
54 19F+1 0.00000 0.00000 -0.66445 -1.10603 0.00000
55 19F-1 0.00000 -0.66445 0.00000 0.00000 -1.10603
56 19F+2 0.00000 -0.39791 0.00000 0.00000 -1.56957
57 19F-2 0.00000 0.00000 -0.39791 -1.56957 0.00000
58 19F+3 0.00000 0.00000 0.00000 0.00000 0.00000
59 19F-3 -0.84369 0.00000 0.00000 0.00000 0.00000
60 20F 0 -0.65737 0.00000 0.00000 0.00000 0.00000
61 20F+1 0.00000 0.00000 -0.16341 0.32665 0.00000
62 20F-1 0.00000 -0.16341 0.00000 0.00000 0.32665
63 20F+2 0.00000 -0.92736 0.00000 0.00000 0.33122
64 20F-2 0.00000 0.00000 -0.92736 0.33122 0.00000
65 20F+3 0.00000 0.00000 0.00000 0.00000 0.00000
66 20F-3 0.30375 0.00000 0.00000 0.00000 0.00000
67 21G 0 -0.21238 0.00000 0.00000 0.00000 0.00000
68 21G+1 0.00000 0.00000 -0.00557 0.07748 0.00000
69 21G-1 0.00000 -0.00557 0.00000 0.00000 0.07748
70 21G+2 0.00000 0.65731 0.00000 0.00000 0.52463
71 21G-2 0.00000 0.00000 0.65731 0.52463 0.00000
72 21G+3 0.00000 0.00000 0.00000 0.00000 0.00000
73 21G-3 -0.08198 0.00000 0.00000 0.00000 0.00000
74 21G+4 0.00000 0.11480 0.00000 0.00000 0.28151
75 21G-4 0.00000 0.00000 -0.11480 -0.28151 0.00000
76 22G 0 -0.15753 0.00000 0.00000 0.00000 0.00000
77 22G+1 0.00000 0.00000 0.23056 0.39207 0.00000
78 22G-1 0.00000 0.23056 0.00000 0.00000 0.39207
79 22G+2 0.00000 -0.11686 0.00000 0.00000 -0.03652
80 22G-2 0.00000 0.00000 -0.11686 -0.03652 0.00000
81 22G+3 0.00000 0.00000 0.00000 0.00000 0.00000
82 22G-3 0.83095 0.00000 0.00000 0.00000 0.00000
83 22G+4 0.00000 -0.01708 0.00000 0.00000 0.17137
84 22G-4 0.00000 0.00000 0.01708 -0.17137 0.00000
85 23H 0 -0.26079 0.00000 0.00000 0.00000 0.00000
86 23H+1 0.00000 0.00000 -0.17034 0.30664 0.00000
87 23H-1 0.00000 -0.17034 0.00000 0.00000 0.30664
88 23H+2 0.00000 -0.18095 0.00000 0.00000 -0.25005
89 23H-2 0.00000 0.00000 -0.18095 -0.25005 0.00000
90 23H+3 0.00000 0.00000 0.00000 0.00000 0.00000
91 23H-3 -0.43080 0.00000 0.00000 0.00000 0.00000
92 23H+4 0.00000 -0.26014 0.00000 0.00000 -0.12456
93 23H-4 0.00000 0.00000 0.26014 0.12456 0.00000
94 23H+5 0.00000 0.00000 -0.30353 0.48438 0.00000
95 23H-5 0.00000 0.30353 0.00000 0.00000 -0.48438
96 2 H 1S -0.00105 0.03539 0.00000 0.00000 0.00390
97 2S -0.30909 -1.67806 0.00000 0.00000 0.00465
98 3S -0.61835 4.31144 0.00000 0.00000 2.14608
99 4S -0.10139 9.84092 0.00000 0.00000 0.09830
100 5S 0.43253 -0.07443 0.00000 0.00000 -0.02556
101 6PX 0.00000 0.00000 0.01002 0.01524 0.00000
102 6PY 0.04118 -0.01520 0.00000 0.00000 -0.02395
103 6PZ -0.01688 0.00236 0.00000 0.00000 0.00777
104 7PX 0.00000 0.00000 -0.07618 -0.10013 0.00000
105 7PY -0.35928 0.03858 0.00000 0.00000 0.20873
106 7PZ 0.16668 0.02312 0.00000 0.00000 -0.08880
107 8PX 0.00000 0.00000 -0.13775 -0.47110 0.00000
108 8PY 0.74671 -1.56244 0.00000 0.00000 -1.33910
109 8PZ -0.58687 0.48684 0.00000 0.00000 0.24600
110 9PX 0.00000 0.00000 -0.53796 -0.78071 0.00000
111 9PY -0.24984 -4.94480 0.00000 0.00000 -0.10610
112 9PZ 0.17120 2.58140 0.00000 0.00000 -0.73162
113 10D 0 -0.02083 -0.02942 0.00000 0.00000 -0.01339
114 10D+1 0.00000 0.00000 -0.00679 -0.12015 0.00000
115 10D-1 -0.05026 -0.03750 0.00000 0.00000 0.04816
116 10D+2 -0.01797 -0.06301 0.00000 0.00000 -0.03917
117 10D-2 0.00000 0.00000 0.00216 -0.04502 0.00000
118 11D 0 0.12736 0.22178 0.00000 0.00000 0.12106
119 11D+1 0.00000 0.00000 0.04124 0.76171 0.00000
120 11D-1 0.31712 0.33979 0.00000 0.00000 -0.35963
121 11D+2 0.12303 0.49379 0.00000 0.00000 0.23058
122 11D-2 0.00000 0.00000 -0.03506 0.24141 0.00000
123 12D 0 -0.14549 -0.75885 0.00000 0.00000 -0.58771
124 12D+1 0.00000 0.00000 -0.16171 -1.13538 0.00000
125 12D-1 -0.08646 -1.47181 0.00000 0.00000 0.53428
126 12D+2 -0.30047 -1.70935 0.00000 0.00000 -0.46779
127 12D-2 0.00000 0.00000 0.43310 0.48292 0.00000
128 13F 0 -0.01029 0.03115 0.00000 0.00000 -0.02682
129 13F+1 0.00000 0.00000 -0.00247 0.04947 0.00000
130 13F-1 -0.00855 -0.00977 0.00000 0.00000 -0.03015
131 13F+2 0.01607 0.02368 0.00000 0.00000 -0.02624
132 13F-2 0.00000 0.00000 -0.03215 -0.03217 0.00000
133 13F+3 0.00000 0.00000 -0.01840 -0.01076 0.00000
134 13F-3 -0.02018 -0.03790 0.00000 0.00000 0.00168
135 14F 0 0.15888 -0.29749 0.00000 0.00000 0.15363
136 14F+1 0.00000 0.00000 0.02650 -0.43668 0.00000
137 14F-1 0.14312 0.14200 0.00000 0.00000 0.28048
138 14F+2 -0.02407 -0.20092 0.00000 0.00000 0.14159
139 14F-2 0.00000 0.00000 0.25909 0.34236 0.00000
140 14F+3 0.00000 0.00000 0.15988 0.18143 0.00000
141 14F-3 0.14336 0.34522 0.00000 0.00000 0.07682
142 15G 0 0.00058 -0.00046 0.00000 0.00000 -0.00245
143 15G+1 0.00000 0.00000 -0.00252 0.00712 0.00000
144 15G-1 0.00004 0.01096 0.00000 0.00000 0.00903
145 15G+2 0.00367 -0.00057 0.00000 0.00000 0.00560
146 15G-2 0.00000 0.00000 -0.00637 0.00051 0.00000
147 15G+3 0.00000 0.00000 -0.00426 0.01220 0.00000
148 15G-3 -0.00248 0.00681 0.00000 0.00000 0.00467
149 15G+4 0.00491 0.00217 0.00000 0.00000 0.00394
150 15G-4 0.00000 0.00000 -0.00383 -0.00592 0.00000
151 3 H 1S -0.00105 -0.01770 0.03065 0.00338 -0.00195
152 2S -0.30909 0.83903 -1.45324 0.00402 -0.00232
153 3S -0.61835 -2.15572 3.73382 1.85856 -1.07304
154 4S -0.10139 -4.92046 8.52249 0.08513 -0.04915
155 5S 0.43253 0.03721 -0.06445 -0.02214 0.01278
156 6PX 0.03566 0.01092 -0.00890 -0.01415 0.01697
157 6PY -0.02059 0.00371 0.01092 0.01697 0.00544
158 6PZ -0.01688 -0.00118 0.00204 0.00672 -0.00388
159 7PX -0.31114 -0.04969 0.00989 0.13152 -0.13374
160 7PY 0.17964 -0.04749 -0.04969 -0.13374 -0.02291
161 7PZ 0.16668 -0.01156 0.02002 -0.07690 0.04440
162 8PX 0.64667 0.61691 -1.20627 -1.12210 0.37586
163 8PY -0.37335 -0.49392 0.61691 0.37586 -0.68810
164 8PZ -0.58687 -0.24342 0.42162 0.21304 -0.12300
165 9PX -0.21637 1.90822 -3.84309 -0.27475 -0.29212
166 9PY 0.12492 -1.63967 1.90822 -0.29212 -0.61206
167 9PZ 0.17120 -1.29070 2.23556 -0.63361 0.36581
168 10D 0 -0.02083 0.01471 -0.02548 -0.01160 0.00670
169 10D+1 -0.04353 0.01330 -0.02982 0.00608 -0.07288
170 10D-1 0.02513 -0.01446 0.01330 -0.07288 -0.07807
171 10D+2 0.00899 -0.01413 0.02822 -0.00253 -0.04356
172 10D-2 -0.01556 0.02822 -0.04672 -0.04063 -0.00253
173 11D 0 0.12736 -0.11089 0.19207 0.10484 -0.06053
174 11D+1 0.27463 -0.12928 0.26516 -0.07929 0.48556
175 11D-1 -0.15856 0.11588 -0.12928 0.48556 0.48138
176 11D+2 -0.06151 0.09715 -0.22900 0.00469 0.23870
177 11D-2 0.10654 -0.22900 0.36158 0.23329 0.00469
178 12D 0 -0.14549 0.37943 -0.65718 -0.50897 0.29385
179 12D+1 -0.07488 0.56729 -1.14429 0.11687 -0.72298
180 12D-1 0.04323 -0.48924 0.56729 -0.72298 -0.71796
181 12D+2 0.15023 -0.10251 0.92771 0.41167 0.24525
182 12D-2 -0.26021 0.92771 -1.17374 -0.23011 0.41167
183 13F 0 -0.01029 -0.01557 0.02698 -0.02323 0.01341
184 13F+1 -0.00740 0.00316 -0.00794 -0.01025 0.03448
185 13F-1 0.00427 -0.00430 0.00316 0.03448 0.02956
186 13F+2 -0.00804 -0.01819 -0.02418 -0.00256 -0.03069
187 13F-2 0.01392 -0.02418 0.00973 -0.02772 -0.00256
188 13F+3 0.00000 0.01594 0.00920 0.00538 0.00931
189 13F-3 -0.02018 0.01895 -0.03282 0.00146 -0.00084
190 14F 0 0.15888 0.14875 -0.25763 0.13304 -0.07681
191 14F+1 0.12394 -0.05002 0.11313 0.10119 -0.31054
192 14F-1 -0.07156 0.05537 -0.05002 -0.31054 -0.25739
193 14F+2 0.01203 0.14409 0.19919 0.08694 0.29217
194 14F-2 -0.02084 0.19919 -0.08592 0.19178 0.08694
195 14F+3 0.00000 -0.13846 -0.07994 -0.09071 -0.15712
196 14F-3 0.14336 -0.17261 0.29897 0.06652 -0.03841
197 15G 0 0.00058 0.00023 -0.00040 -0.00212 0.00123
198 15G+1 0.00004 -0.00583 0.00759 0.00855 -0.00083
199 15G-1 -0.00002 0.00085 -0.00583 -0.00083 0.00760
200 15G+2 -0.00183 -0.00492 -0.00251 -0.00220 0.00179
201 15G-2 0.00318 -0.00251 -0.00202 0.00433 -0.00220
202 15G+3 0.00000 0.00369 0.00213 -0.00610 -0.01057
203 15G-3 -0.00248 -0.00341 0.00590 0.00405 -0.00234
204 15G+4 -0.00246 0.00342 0.00072 0.00086 0.00543
205 15G-4 -0.00425 -0.00072 -0.00258 -0.00444 -0.00086
206 4 H 1S -0.00105 -0.01770 -0.03065 -0.00338 -0.00195
207 2S -0.30909 0.83903 1.45324 -0.00402 -0.00232
208 3S -0.61835 -2.15572 -3.73382 -1.85856 -1.07304
209 4S -0.10139 -4.92046 -8.52249 -0.08513 -0.04915
210 5S 0.43253 0.03721 0.06445 0.02214 0.01278
211 6PX -0.03566 -0.01092 -0.00890 -0.01415 -0.01697
212 6PY -0.02059 0.00371 -0.01092 -0.01697 0.00544
213 6PZ -0.01688 -0.00118 -0.00204 -0.00672 -0.00388
214 7PX 0.31114 0.04969 0.00989 0.13152 0.13374
215 7PY 0.17964 -0.04749 0.04969 0.13374 -0.02291
216 7PZ 0.16668 -0.01156 -0.02002 0.07690 0.04440
217 8PX -0.64667 -0.61691 -1.20627 -1.12210 -0.37586
218 8PY -0.37335 -0.49392 -0.61691 -0.37586 -0.68810
219 8PZ -0.58687 -0.24342 -0.42162 -0.21304 -0.12300
220 9PX 0.21637 -1.90822 -3.84309 -0.27475 0.29212
221 9PY 0.12492 -1.63967 -1.90822 0.29212 -0.61206
222 9PZ 0.17120 -1.29070 -2.23556 0.63361 0.36581
223 10D 0 -0.02083 0.01471 0.02548 0.01160 0.00670
224 10D+1 0.04353 -0.01330 -0.02982 0.00608 0.07288
225 10D-1 0.02513 -0.01446 -0.01330 0.07288 -0.07807
226 10D+2 0.00899 -0.01413 -0.02822 0.00253 -0.04356
227 10D-2 0.01556 -0.02822 -0.04672 -0.04063 0.00253
228 11D 0 0.12736 -0.11089 -0.19207 -0.10484 -0.06053
229 11D+1 -0.27463 0.12928 0.26516 -0.07929 -0.48556
230 11D-1 -0.15856 0.11588 0.12928 -0.48556 0.48138
231 11D+2 -0.06151 0.09715 0.22900 -0.00469 0.23870
232 11D-2 -0.10654 0.22900 0.36158 0.23329 -0.00469
233 12D 0 -0.14549 0.37943 0.65718 0.50897 0.29385
234 12D+1 0.07488 -0.56729 -1.14429 0.11687 0.72298
235 12D-1 0.04323 -0.48924 -0.56729 0.72298 -0.71796
236 12D+2 0.15023 -0.10251 -0.92771 -0.41167 0.24525
237 12D-2 0.26021 -0.92771 -1.17374 -0.23011 -0.41167
238 13F 0 -0.01029 -0.01557 -0.02698 0.02323 0.01341
239 13F+1 0.00740 -0.00316 -0.00794 -0.01025 -0.03448
240 13F-1 0.00427 -0.00430 -0.00316 -0.03448 0.02956
241 13F+2 -0.00804 -0.01819 0.02418 0.00256 -0.03069
242 13F-2 -0.01392 0.02418 0.00973 -0.02772 0.00256
243 13F+3 0.00000 -0.01594 0.00920 0.00538 -0.00931
244 13F-3 -0.02018 0.01895 0.03282 -0.00146 -0.00084
245 14F 0 0.15888 0.14875 0.25763 -0.13304 -0.07681
246 14F+1 -0.12394 0.05002 0.11313 0.10119 0.31054
247 14F-1 -0.07156 0.05537 0.05002 0.31054 -0.25739
248 14F+2 0.01203 0.14409 -0.19919 -0.08694 0.29217
249 14F-2 0.02084 -0.19919 -0.08592 0.19178 -0.08694
250 14F+3 0.00000 0.13846 -0.07994 -0.09071 0.15712
251 14F-3 0.14336 -0.17261 -0.29897 -0.06652 -0.03841
252 15G 0 0.00058 0.00023 0.00040 0.00212 0.00123
253 15G+1 -0.00004 0.00583 0.00759 0.00855 0.00083
254 15G-1 -0.00002 0.00085 0.00583 0.00083 0.00760
255 15G+2 -0.00183 -0.00492 0.00251 0.00220 0.00179
256 15G-2 -0.00318 0.00251 -0.00202 0.00433 0.00220
257 15G+3 0.00000 -0.00369 0.00213 -0.00610 0.01057
258 15G-3 -0.00248 -0.00341 -0.00590 -0.00405 -0.00234
259 15G+4 -0.00246 0.00342 -0.00072 -0.00086 0.00543
260 15G-4 0.00425 0.00072 -0.00258 -0.00444 0.00086
131 132 133 134 135
(A1)--V (E)--V (E)--V (E)--V (E)--V
Eigenvalues -- 5.06288 5.09743 5.09743 5.10185 5.10185
1 1 P 1S 0.02862 0.00000 0.00000 0.00000 0.00000
2 2S -0.01869 0.00000 0.00000 0.00000 0.00000
3 3S 0.28660 0.00000 0.00000 0.00000 0.00000
4 4S 0.16874 0.00000 0.00000 0.00000 0.00000
5 5S -0.74609 0.00000 0.00000 0.00000 0.00000
6 6S 6.46780 0.00000 0.00000 0.00000 0.00000
7 7S 3.18806 0.00000 0.00000 0.00000 0.00000
8 8PX 0.00000 -0.00614 0.00000 0.03937 0.00000
9 8PY 0.00000 0.00000 -0.00614 0.00000 0.03937
10 8PZ 0.00428 0.00000 0.00000 0.00000 0.00000
11 9PX 0.00000 0.04219 0.00000 -0.19042 0.00000
12 9PY 0.00000 0.00000 0.04219 0.00000 -0.19042
13 9PZ 0.17138 0.00000 0.00000 0.00000 0.00000
14 10PX 0.00000 0.22490 0.00000 -0.60682 0.00000
15 10PY 0.00000 0.00000 0.22490 0.00000 -0.60682
16 10PZ 1.01281 0.00000 0.00000 0.00000 0.00000
17 11PX 0.00000 -0.59468 0.00000 -0.77879 0.00000
18 11PY 0.00000 0.00000 -0.59468 0.00000 -0.77879
19 11PZ -2.52054 0.00000 0.00000 0.00000 0.00000
20 12PX 0.00000 -0.13945 0.00000 2.68576 0.00000
21 12PY 0.00000 0.00000 -0.13945 0.00000 2.68576
22 12PZ -5.45352 0.00000 0.00000 0.00000 0.00000
23 13PX 0.00000 0.04750 0.00000 0.17642 0.00000
24 13PY 0.00000 0.00000 0.04750 0.00000 0.17642
25 13PZ -0.68023 0.00000 0.00000 0.00000 0.00000
26 14D 0 1.81807 0.00000 0.00000 0.00000 0.00000
27 14D+1 0.00000 0.11541 0.00000 -1.76749 0.00000
28 14D-1 0.00000 0.00000 0.11541 0.00000 -1.76749
29 14D+2 0.00000 0.00000 -0.14256 0.00000 0.49563
30 14D-2 0.00000 -0.14256 0.00000 0.49563 0.00000
31 15D 0 2.42422 0.00000 0.00000 0.00000 0.00000
32 15D+1 0.00000 0.41867 0.00000 -0.52706 0.00000
33 15D-1 0.00000 0.00000 0.41867 0.00000 -0.52706
34 15D+2 0.00000 0.00000 1.21928 0.00000 1.96111
35 15D-2 0.00000 1.21928 0.00000 1.96111 0.00000
36 16D 0 -0.49268 0.00000 0.00000 0.00000 0.00000
37 16D+1 0.00000 -0.08678 0.00000 0.46343 0.00000
38 16D-1 0.00000 0.00000 -0.08678 0.00000 0.46343
39 16D+2 0.00000 0.00000 -0.16520 0.00000 -0.09080
40 16D-2 0.00000 -0.16520 0.00000 -0.09080 0.00000
41 17D 0 -0.04417 0.00000 0.00000 0.00000 0.00000
42 17D+1 0.00000 -0.04456 0.00000 0.03679 0.00000
43 17D-1 0.00000 0.00000 -0.04456 0.00000 0.03679
44 17D+2 0.00000 0.00000 0.04761 0.00000 0.05801
45 17D-2 0.00000 0.04761 0.00000 0.05801 0.00000
46 18F 0 -0.30801 0.00000 0.00000 0.00000 0.00000
47 18F+1 0.00000 0.04292 0.00000 0.78206 0.00000
48 18F-1 0.00000 0.00000 0.04292 0.00000 0.78206
49 18F+2 0.00000 0.00000 0.03138 0.00000 -0.33548
50 18F-2 0.00000 0.03138 0.00000 -0.33548 0.00000
51 18F+3 0.00000 0.00000 0.00000 0.00000 0.00000
52 18F-3 0.13516 0.00000 0.00000 0.00000 0.00000
53 19F 0 0.09711 0.00000 0.00000 0.00000 0.00000
54 19F+1 0.00000 -0.32317 0.00000 -0.47669 0.00000
55 19F-1 0.00000 0.00000 -0.32317 0.00000 -0.47669
56 19F+2 0.00000 0.00000 -0.85469 0.00000 -0.93387
57 19F-2 0.00000 -0.85469 0.00000 -0.93387 0.00000
58 19F+3 0.00000 0.00000 0.00000 0.00000 0.00000
59 19F-3 1.47699 0.00000 0.00000 0.00000 0.00000
60 20F 0 -0.03423 0.00000 0.00000 0.00000 0.00000
61 20F+1 0.00000 0.36547 0.00000 0.45096 0.00000
62 20F-1 0.00000 0.00000 0.36547 0.00000 0.45096
63 20F+2 0.00000 0.00000 -0.06778 0.00000 -0.37345
64 20F-2 0.00000 -0.06778 0.00000 -0.37345 0.00000
65 20F+3 0.00000 0.00000 0.00000 0.00000 0.00000
66 20F-3 -0.63019 0.00000 0.00000 0.00000 0.00000
67 21G 0 -1.12276 0.00000 0.00000 0.00000 0.00000
68 21G+1 0.00000 -0.28679 0.00000 0.17846 0.00000
69 21G-1 0.00000 0.00000 -0.28679 0.00000 0.17846
70 21G+2 0.00000 0.00000 0.33742 0.00000 0.41098
71 21G-2 0.00000 0.33742 0.00000 0.41098 0.00000
72 21G+3 0.00000 0.00000 0.00000 0.00000 0.00000
73 21G-3 -0.42270 0.00000 0.00000 0.00000 0.00000
74 21G+4 0.00000 0.00000 0.31139 0.00000 0.53454
75 21G-4 0.00000 -0.31139 0.00000 -0.53454 0.00000
76 22G 0 0.23293 0.00000 0.00000 0.00000 0.00000
77 22G+1 0.00000 -0.02192 0.00000 -0.10596 0.00000
78 22G-1 0.00000 0.00000 -0.02192 0.00000 -0.10596
79 22G+2 0.00000 0.00000 0.00505 0.00000 0.22497
80 22G-2 0.00000 0.00505 0.00000 0.22497 0.00000
81 22G+3 0.00000 0.00000 0.00000 0.00000 0.00000
82 22G-3 0.26931 0.00000 0.00000 0.00000 0.00000
83 22G+4 0.00000 0.00000 0.09894 0.00000 -0.38111
84 22G-4 0.00000 -0.09894 0.00000 0.38111 0.00000
85 23H 0 0.75272 0.00000 0.00000 0.00000 0.00000
86 23H+1 0.00000 0.34901 0.00000 0.16527 0.00000
87 23H-1 0.00000 0.00000 0.34901 0.00000 0.16527
88 23H+2 0.00000 0.00000 -0.12435 0.00000 -0.28523
89 23H-2 0.00000 -0.12435 0.00000 -0.28523 0.00000
90 23H+3 0.00000 0.00000 0.00000 0.00000 0.00000
91 23H-3 -0.21436 0.00000 0.00000 0.00000 0.00000
92 23H+4 0.00000 0.00000 -0.12370 0.00000 -0.23958
93 23H-4 0.00000 0.12370 0.00000 0.23958 0.00000
94 23H+5 0.00000 0.05726 0.00000 0.52987 0.00000
95 23H-5 0.00000 0.00000 -0.05726 0.00000 -0.52987
96 2 H 1S -0.00850 0.00000 0.00220 0.00000 0.00674
97 2S 0.34216 0.00000 -0.00640 0.00000 -0.06684
98 3S -0.68842 0.00000 0.77221 0.00000 0.12453
99 4S -3.03665 0.00000 0.49223 0.00000 -0.46155
100 5S -0.26716 0.00000 -0.03214 0.00000 0.07339
101 6PX 0.00000 0.02240 0.00000 0.01347 0.00000
102 6PY 0.01436 0.00000 -0.01513 0.00000 -0.00132
103 6PZ 0.00971 0.00000 -0.00964 0.00000 -0.01211
104 7PX 0.00000 -0.15664 0.00000 -0.10688 0.00000
105 7PY -0.09479 0.00000 0.13149 0.00000 0.02869
106 7PZ -0.06361 0.00000 0.05749 0.00000 0.08910
107 8PX 0.00000 -0.20337 0.00000 -0.61517 0.00000
108 8PY 0.74656 0.00000 -0.63590 0.00000 -0.52315
109 8PZ 0.48037 0.00000 0.18730 0.00000 0.05326
110 9PX 0.00000 -0.34285 0.00000 -1.79270 0.00000
111 9PY 2.13681 0.00000 -0.36803 0.00000 -0.31408
112 9PZ 0.53142 0.00000 0.15501 0.00000 0.64955
113 10D 0 -0.00590 0.00000 -0.11875 0.00000 0.04909
114 10D+1 0.00000 0.01465 0.00000 0.05705 0.00000
115 10D-1 -0.04921 0.00000 -0.08048 0.00000 0.03125
116 10D+2 0.07110 0.00000 0.12253 0.00000 -0.03577
117 10D-2 0.00000 0.01587 0.00000 0.07445 0.00000
118 11D 0 -0.02335 0.00000 0.73926 0.00000 -0.31140
119 11D+1 0.00000 -0.08041 0.00000 -0.31983 0.00000
120 11D-1 0.30407 0.00000 0.49129 0.00000 -0.15757
121 11D+2 -0.50072 0.00000 -0.75790 0.00000 0.24852
122 11D-2 0.00000 -0.12328 0.00000 -0.52276 0.00000
123 12D 0 1.14879 0.00000 -0.68184 0.00000 0.22814
124 12D+1 0.00000 -0.21395 0.00000 -0.35542 0.00000
125 12D-1 -0.21061 0.00000 -0.68131 0.00000 -0.50800
126 12D+2 1.03392 0.00000 0.47523 0.00000 -0.72671
127 12D-2 0.00000 0.59817 0.00000 1.56251 0.00000
128 13F 0 -0.02296 0.00000 0.03074 0.00000 -0.00995
129 13F+1 0.00000 0.00964 0.00000 -0.00162 0.00000
130 13F-1 0.03588 0.00000 0.01552 0.00000 0.03595
131 13F+2 -0.02540 0.00000 0.00707 0.00000 0.05280
132 13F-2 0.00000 -0.01870 0.00000 -0.01591 0.00000
133 13F+3 0.00000 -0.03895 0.00000 -0.06146 0.00000
134 13F-3 -0.00511 0.00000 0.04709 0.00000 -0.02619
135 14F 0 0.30997 0.00000 -0.33168 0.00000 0.05097
136 14F+1 0.00000 -0.07893 0.00000 -0.03201 0.00000
137 14F-1 -0.45005 0.00000 -0.10664 0.00000 -0.26406
138 14F+2 0.25144 0.00000 -0.11638 0.00000 -0.48764
139 14F-2 0.00000 0.21229 0.00000 0.24107 0.00000
140 14F+3 0.00000 0.36569 0.00000 0.58011 0.00000
141 14F-3 0.00490 0.00000 -0.41097 0.00000 0.27207
142 15G 0 -0.00017 0.00000 -0.00022 0.00000 -0.00286
143 15G+1 0.00000 0.00325 0.00000 0.00113 0.00000
144 15G-1 -0.01624 0.00000 0.00456 0.00000 0.00625
145 15G+2 -0.00936 0.00000 0.00394 0.00000 0.00779
146 15G-2 0.00000 0.00276 0.00000 0.01158 0.00000
147 15G+3 0.00000 0.00242 0.00000 0.01159 0.00000
148 15G-3 -0.00259 0.00000 0.00325 0.00000 -0.00209
149 15G+4 -0.00821 0.00000 0.00539 0.00000 0.00385
150 15G-4 0.00000 0.00004 0.00000 0.00125 0.00000
151 3 H 1S -0.00850 0.00190 -0.00110 0.00583 -0.00337
152 2S 0.34216 -0.00555 0.00320 -0.05788 0.03342
153 3S -0.68842 0.66875 -0.38610 0.10785 -0.06227
154 4S -3.03665 0.42629 -0.24612 -0.39971 0.23078
155 5S -0.26716 -0.02784 0.01607 0.06356 -0.03669
156 6PX 0.01244 -0.00575 0.01625 0.00238 0.00641
157 6PY -0.00718 0.01625 0.01302 0.00641 0.00977
158 6PZ 0.00971 -0.00835 0.00482 -0.01049 0.00605
159 7PX -0.08209 0.05946 -0.12477 -0.00521 -0.05870
160 7PY 0.04739 -0.12477 -0.08461 -0.05870 -0.07299
161 7PZ -0.06361 0.04979 -0.02874 0.07717 -0.04455
162 8PX 0.64654 -0.52777 0.18729 -0.54615 -0.03985
163 8PY -0.37328 0.18729 -0.31150 -0.03985 -0.59216
164 8PZ 0.48037 0.16221 -0.09365 0.04612 -0.02663
165 9PX 1.85053 -0.36173 0.01090 -0.68373 -0.64026
166 9PY -1.06840 0.01090 -0.34914 -0.64026 -1.42304
167 9PZ 0.53142 0.13424 -0.07750 0.56252 -0.32477
168 10D 0 -0.00590 -0.10284 0.05938 0.04251 -0.02455
169 10D+1 -0.04262 -0.05670 0.04119 0.03770 0.01117
170 10D-1 0.02461 0.04119 -0.00914 0.01117 0.05060
171 10D+2 -0.03555 -0.04618 0.04253 0.04773 0.04690
172 10D-2 0.06157 0.09586 -0.04618 -0.00821 0.04773
173 11D 0 -0.02335 0.64022 -0.36963 -0.26968 0.15570
174 11D+1 0.26333 0.34837 -0.24755 -0.19813 -0.07026
175 11D-1 -0.15203 -0.24755 0.06252 -0.07026 -0.27926
176 11D+2 0.25036 0.27480 -0.28194 -0.33397 -0.32994
177 11D-2 -0.43363 -0.59925 0.27480 0.05570 -0.33397
178 12D 0 1.14879 -0.59049 0.34092 0.19757 -0.11407
179 12D+1 -0.18240 -0.56447 0.20238 -0.46986 0.06607
180 12D-1 0.10531 0.20238 -0.33079 0.06607 -0.39357
181 12D+2 -0.51696 0.05323 0.56743 0.99126 0.99020
182 12D-2 0.89540 0.50596 0.05323 -0.15441 0.99126
183 13F 0 -0.02296 0.02663 -0.01537 -0.00861 0.00497
184 13F+1 0.03107 0.01405 -0.00254 0.02656 -0.01627
185 13F-1 -0.01794 -0.00254 0.01111 -0.01627 0.00777
186 13F+2 0.01270 -0.01116 -0.01226 -0.02975 0.00126
187 13F-2 -0.02199 0.00063 -0.01116 0.03562 -0.02975
188 13F+3 0.00000 0.01948 0.03374 0.03073 0.05323
189 13F-3 -0.00511 0.04078 -0.02355 -0.02268 0.01310
190 14F 0 0.30997 -0.28724 0.16584 0.04414 -0.02549
191 14F+1 -0.38975 -0.09972 0.01200 -0.20605 0.10048
192 14F-1 0.22502 0.01200 -0.08586 0.10048 -0.09002
193 14F+2 -0.12572 0.14232 0.13012 0.31554 0.05889
194 14F-2 0.21775 -0.03421 0.14232 -0.30546 0.31554
195 14F+3 0.00000 -0.18284 -0.31669 -0.29005 -0.50239
196 14F-3 0.00490 -0.35591 0.20548 0.23562 -0.13603
197 15G 0 -0.00017 -0.00019 0.00011 -0.00248 0.00143
198 15G+1 -0.01407 0.00423 -0.00057 0.00497 -0.00222
199 15G-1 0.00812 -0.00057 0.00358 -0.00222 0.00241
200 15G+2 0.00468 -0.00051 0.00305 0.00164 0.01064
201 15G-2 -0.00810 0.00364 -0.00051 0.00874 0.00164
202 15G+3 0.00000 -0.00121 -0.00209 -0.00579 -0.01004
203 15G-3 -0.00259 0.00281 -0.00163 -0.00181 0.00104
204 15G+4 0.00411 -0.00235 0.00132 -0.00221 0.00002
205 15G-4 0.00711 -0.00403 0.00235 -0.00258 0.00221
206 4 H 1S -0.00850 -0.00190 -0.00110 -0.00583 -0.00337
207 2S 0.34216 0.00555 0.00320 0.05788 0.03342
208 3S -0.68842 -0.66875 -0.38610 -0.10785 -0.06227
209 4S -3.03665 -0.42629 -0.24612 0.39971 0.23078
210 5S -0.26716 0.02784 0.01607 -0.06356 -0.03669
211 6PX -0.01244 -0.00575 -0.01625 0.00238 -0.00641
212 6PY -0.00718 -0.01625 0.01302 -0.00641 0.00977
213 6PZ 0.00971 0.00835 0.00482 0.01049 0.00605
214 7PX 0.08209 0.05946 0.12477 -0.00521 0.05870
215 7PY 0.04739 0.12477 -0.08461 0.05870 -0.07299
216 7PZ -0.06361 -0.04979 -0.02874 -0.07717 -0.04455
217 8PX -0.64654 -0.52777 -0.18729 -0.54615 0.03985
218 8PY -0.37328 -0.18729 -0.31150 0.03985 -0.59216
219 8PZ 0.48037 -0.16221 -0.09365 -0.04612 -0.02663
220 9PX -1.85053 -0.36173 -0.01090 -0.68373 0.64026
221 9PY -1.06840 -0.01090 -0.34914 0.64026 -1.42304
222 9PZ 0.53142 -0.13424 -0.07750 -0.56252 -0.32477
223 10D 0 -0.00590 0.10284 0.05938 -0.04251 -0.02455
224 10D+1 0.04262 -0.05670 -0.04119 0.03770 -0.01117
225 10D-1 0.02461 -0.04119 -0.00914 -0.01117 0.05060
226 10D+2 -0.03555 0.04618 0.04253 -0.04773 0.04690
227 10D-2 -0.06157 0.09586 0.04618 -0.00821 -0.04773
228 11D 0 -0.02335 -0.64022 -0.36963 0.26968 0.15570
229 11D+1 -0.26333 0.34837 0.24755 -0.19813 0.07026
230 11D-1 -0.15203 0.24755 0.06252 0.07026 -0.27926
231 11D+2 0.25036 -0.27480 -0.28194 0.33397 -0.32994
232 11D-2 0.43363 -0.59925 -0.27480 0.05570 0.33397
233 12D 0 1.14879 0.59049 0.34092 -0.19757 -0.11407
234 12D+1 0.18240 -0.56447 -0.20238 -0.46986 -0.06607
235 12D-1 0.10531 -0.20238 -0.33079 -0.06607 -0.39357
236 12D+2 -0.51696 -0.05323 0.56743 -0.99126 0.99020
237 12D-2 -0.89540 0.50596 -0.05323 -0.15441 -0.99126
238 13F 0 -0.02296 -0.02663 -0.01537 0.00861 0.00497
239 13F+1 -0.03107 0.01405 0.00254 0.02656 0.01627
240 13F-1 -0.01794 0.00254 0.01111 0.01627 0.00777
241 13F+2 0.01270 0.01116 -0.01226 0.02975 0.00126
242 13F-2 0.02199 0.00063 0.01116 0.03562 0.02975
243 13F+3 0.00000 0.01948 -0.03374 0.03073 -0.05323
244 13F-3 -0.00511 -0.04078 -0.02355 0.02268 0.01310
245 14F 0 0.30997 0.28724 0.16584 -0.04414 -0.02549
246 14F+1 0.38975 -0.09972 -0.01200 -0.20605 -0.10048
247 14F-1 0.22502 -0.01200 -0.08586 -0.10048 -0.09002
248 14F+2 -0.12572 -0.14232 0.13012 -0.31554 0.05889
249 14F-2 -0.21775 -0.03421 -0.14232 -0.30546 -0.31554
250 14F+3 0.00000 -0.18284 0.31669 -0.29005 0.50239
251 14F-3 0.00490 0.35591 0.20548 -0.23562 -0.13603
252 15G 0 -0.00017 0.00019 0.00011 0.00248 0.00143
253 15G+1 0.01407 0.00423 0.00057 0.00497 0.00222
254 15G-1 0.00812 0.00057 0.00358 0.00222 0.00241
255 15G+2 0.00468 0.00051 0.00305 -0.00164 0.01064
256 15G-2 0.00810 0.00364 0.00051 0.00874 -0.00164
257 15G+3 0.00000 -0.00121 0.00209 -0.00579 0.01004
258 15G-3 -0.00259 -0.00281 -0.00163 0.00181 0.00104
259 15G+4 0.00411 0.00235 0.00132 0.00221 0.00002
260 15G-4 -0.00711 -0.00403 -0.00235 -0.00258 -0.00221
136 137 138 139 140
(A1)--V (A2)--V (E)--V (E)--V (A1)--V
Eigenvalues -- 5.13626 5.20408 5.20943 5.20943 5.27700
1 1 P 1S 0.08539 0.00000 0.00000 0.00000 0.00847
2 2S -0.01460 0.00000 0.00000 0.00000 -0.01074
3 3S 1.04457 0.00000 0.00000 0.00000 0.13011
4 4S 2.06636 0.00000 0.00000 0.00000 0.72745
5 5S -2.16328 0.00000 0.00000 0.00000 -4.47885
6 6S 2.59246 0.00000 0.00000 0.00000 6.75455
7 7S 1.61250 0.00000 0.00000 0.00000 0.54997
8 8PX 0.00000 0.00000 0.00000 0.04787 0.00000
9 8PY 0.00000 0.00000 0.04787 0.00000 0.00000
10 8PZ 0.02656 0.00000 0.00000 0.00000 -0.01005
11 9PX 0.00000 0.00000 0.00000 -0.38593 0.00000
12 9PY 0.00000 0.00000 -0.38593 0.00000 0.00000
13 9PZ 0.13422 0.00000 0.00000 0.00000 0.24142
14 10PX 0.00000 0.00000 0.00000 -1.77961 0.00000
15 10PY 0.00000 0.00000 -1.77961 0.00000 0.00000
16 10PZ 0.76606 0.00000 0.00000 0.00000 1.12610
17 11PX 0.00000 0.00000 0.00000 2.84067 0.00000
18 11PY 0.00000 0.00000 2.84067 0.00000 0.00000
19 11PZ -1.76455 0.00000 0.00000 0.00000 -1.19567
20 12PX 0.00000 0.00000 0.00000 1.90723 0.00000
21 12PY 0.00000 0.00000 1.90723 0.00000 0.00000
22 12PZ -2.65741 0.00000 0.00000 0.00000 -3.05767
23 13PX 0.00000 0.00000 0.00000 -0.08316 0.00000
24 13PY 0.00000 0.00000 -0.08316 0.00000 0.00000
25 13PZ -0.50306 0.00000 0.00000 0.00000 0.10006
26 14D 0 0.90953 0.00000 0.00000 0.00000 -0.28256
27 14D+1 0.00000 0.00000 0.00000 -0.30670 0.00000
28 14D-1 0.00000 0.00000 -0.30670 0.00000 0.00000
29 14D+2 0.00000 0.00000 -0.32734 0.00000 0.00000
30 14D-2 0.00000 0.00000 0.00000 -0.32734 0.00000
31 15D 0 2.75601 0.00000 0.00000 0.00000 0.15065
32 15D+1 0.00000 0.00000 0.00000 -2.17861 0.00000
33 15D-1 0.00000 0.00000 -2.17861 0.00000 0.00000
34 15D+2 0.00000 0.00000 -1.17264 0.00000 0.00000
35 15D-2 0.00000 0.00000 0.00000 -1.17264 0.00000
36 16D 0 -0.51153 0.00000 0.00000 0.00000 0.10667
37 16D+1 0.00000 0.00000 0.00000 0.52290 0.00000
38 16D-1 0.00000 0.00000 0.52290 0.00000 0.00000
39 16D+2 0.00000 0.00000 0.29523 0.00000 0.00000
40 16D-2 0.00000 0.00000 0.00000 0.29523 0.00000
41 17D 0 0.06706 0.00000 0.00000 0.00000 0.03461
42 17D+1 0.00000 0.00000 0.00000 0.05331 0.00000
43 17D-1 0.00000 0.00000 0.05331 0.00000 0.00000
44 17D+2 0.00000 0.00000 0.00677 0.00000 0.00000
45 17D-2 0.00000 0.00000 0.00000 0.00677 0.00000
46 18F 0 0.17786 0.00000 0.00000 0.00000 0.84879
47 18F+1 0.00000 0.00000 0.00000 -0.31319 0.00000
48 18F-1 0.00000 0.00000 -0.31319 0.00000 0.00000
49 18F+2 0.00000 0.00000 0.22073 0.00000 0.00000
50 18F-2 0.00000 0.00000 0.00000 0.22073 0.00000
51 18F+3 0.00000 0.79999 0.00000 0.00000 0.00000
52 18F-3 0.39923 0.00000 0.00000 0.00000 -0.55914
53 19F 0 -1.18351 0.00000 0.00000 0.00000 1.47869
54 19F+1 0.00000 0.00000 0.00000 0.73615 0.00000
55 19F-1 0.00000 0.00000 0.73615 0.00000 0.00000
56 19F+2 0.00000 0.00000 1.16916 0.00000 0.00000
57 19F-2 0.00000 0.00000 0.00000 1.16916 0.00000
58 19F+3 0.00000 0.33173 0.00000 0.00000 0.00000
59 19F-3 0.54459 0.00000 0.00000 0.00000 0.02331
60 20F 0 0.29799 0.00000 0.00000 0.00000 -0.44812
61 20F+1 0.00000 0.00000 0.00000 -0.29873 0.00000
62 20F-1 0.00000 0.00000 -0.29873 0.00000 0.00000
63 20F+2 0.00000 0.00000 -0.24932 0.00000 0.00000
64 20F-2 0.00000 0.00000 0.00000 -0.24932 0.00000
65 20F+3 0.00000 0.52898 0.00000 0.00000 0.00000
66 20F-3 0.22386 0.00000 0.00000 0.00000 -0.03877
67 21G 0 -0.10586 0.00000 0.00000 0.00000 -1.05586
68 21G+1 0.00000 0.00000 0.00000 0.03933 0.00000
69 21G-1 0.00000 0.00000 0.03933 0.00000 0.00000
70 21G+2 0.00000 0.00000 -0.94637 0.00000 0.00000
71 21G-2 0.00000 0.00000 0.00000 -0.94637 0.00000
72 21G+3 0.00000 -0.25490 0.00000 0.00000 0.00000
73 21G-3 -0.43880 0.00000 0.00000 0.00000 1.18676
74 21G+4 0.00000 0.00000 1.08232 0.00000 0.00000
75 21G-4 0.00000 0.00000 0.00000 -1.08232 0.00000
76 22G 0 -0.30376 0.00000 0.00000 0.00000 -0.03919
77 22G+1 0.00000 0.00000 0.00000 0.15583 0.00000
78 22G-1 0.00000 0.00000 0.15583 0.00000 0.00000
79 22G+2 0.00000 0.00000 0.32771 0.00000 0.00000
80 22G-2 0.00000 0.00000 0.00000 0.32771 0.00000
81 22G+3 0.00000 -0.38750 0.00000 0.00000 0.00000
82 22G-3 0.37602 0.00000 0.00000 0.00000 -0.68349
83 22G+4 0.00000 0.00000 -0.70657 0.00000 0.00000
84 22G-4 0.00000 0.00000 0.00000 0.70657 0.00000
85 23H 0 0.38406 0.00000 0.00000 0.00000 -0.27016
86 23H+1 0.00000 0.00000 0.00000 -0.02229 0.00000
87 23H-1 0.00000 0.00000 -0.02229 0.00000 0.00000
88 23H+2 0.00000 0.00000 0.48745 0.00000 0.00000
89 23H-2 0.00000 0.00000 0.00000 0.48745 0.00000
90 23H+3 0.00000 0.17311 0.00000 0.00000 0.00000
91 23H-3 -0.02613 0.00000 0.00000 0.00000 -0.57115
92 23H+4 0.00000 0.00000 -0.42592 0.00000 0.00000
93 23H-4 0.00000 0.00000 0.00000 0.42592 0.00000
94 23H+5 0.00000 0.00000 0.00000 0.03275 0.00000
95 23H-5 0.00000 0.00000 -0.03275 0.00000 0.00000
96 2 H 1S -0.00588 0.00000 -0.00544 0.00000 0.00699
97 2S 0.11302 0.00000 0.05498 0.00000 -0.11665
98 3S 0.20512 0.00000 -2.45226 0.00000 -2.25007
99 4S -1.46165 0.00000 -1.35383 0.00000 -0.60789
100 5S -0.10454 0.00000 0.06671 0.00000 0.00197
101 6PX 0.00000 -0.01833 0.00000 -0.01883 0.00000
102 6PY -0.00853 0.00000 0.02067 0.00000 -0.00754
103 6PZ -0.03889 0.00000 0.01186 0.00000 0.01489
104 7PX 0.00000 0.13957 0.00000 0.14137 0.00000
105 7PY 0.05218 0.00000 -0.19741 0.00000 0.02660
106 7PZ 0.28604 0.00000 -0.06943 0.00000 -0.08248
107 8PX 0.00000 0.09807 0.00000 -0.26465 0.00000
108 8PY 0.19845 0.00000 1.46626 0.00000 0.71267
109 8PZ 0.22176 0.00000 -0.46263 0.00000 -0.28999
110 9PX 0.00000 0.89585 0.00000 -0.04520 0.00000
111 9PY 1.09075 0.00000 0.62117 0.00000 0.06999
112 9PZ 0.79429 0.00000 -0.50030 0.00000 0.10903
113 10D 0 0.06689 0.00000 -0.03345 0.00000 0.05988
114 10D+1 0.00000 0.13957 0.00000 -0.09366 0.00000
115 10D-1 0.00112 0.00000 -0.02717 0.00000 -0.02211
116 10D+2 -0.05377 0.00000 0.02186 0.00000 -0.04834
117 10D-2 0.00000 0.00669 0.00000 -0.04416 0.00000
118 11D 0 -0.46060 0.00000 0.20885 0.00000 -0.39695
119 11D+1 0.00000 -0.90015 0.00000 0.61558 0.00000
120 11D-1 0.00058 0.00000 0.21535 0.00000 0.23184
121 11D+2 0.29730 0.00000 -0.13051 0.00000 0.35038
122 11D-2 0.00000 0.00274 0.00000 0.28167 0.00000
123 12D 0 1.17427 0.00000 -0.08080 0.00000 0.73404
124 12D+1 0.00000 1.00949 0.00000 -0.91367 0.00000
125 12D-1 -0.46483 0.00000 0.05157 0.00000 -0.11041
126 12D+2 0.43264 0.00000 0.62946 0.00000 -0.42644
127 12D-2 0.00000 -0.57708 0.00000 -0.31802 0.00000
128 13F 0 -0.00660 0.00000 0.02649 0.00000 -0.04618
129 13F+1 0.00000 -0.01212 0.00000 0.02402 0.00000
130 13F-1 0.06113 0.00000 -0.00469 0.00000 0.02483
131 13F+2 0.00698 0.00000 0.02037 0.00000 0.00554
132 13F-2 0.00000 0.04458 0.00000 -0.01067 0.00000
133 13F+3 0.00000 0.03253 0.00000 0.01990 0.00000
134 13F-3 0.03667 0.00000 -0.01132 0.00000 -0.03341
135 14F 0 0.09327 0.00000 -0.20743 0.00000 0.48070
136 14F+1 0.00000 0.11140 0.00000 -0.30802 0.00000
137 14F-1 -0.61703 0.00000 -0.02467 0.00000 -0.23234
138 14F+2 -0.05122 0.00000 -0.06576 0.00000 0.01219
139 14F-2 0.00000 -0.41251 0.00000 0.18150 0.00000
140 14F+3 0.00000 -0.29028 0.00000 -0.15799 0.00000
141 14F-3 -0.39592 0.00000 -0.03349 0.00000 0.28275
142 15G 0 -0.00416 0.00000 -0.00414 0.00000 -0.00315
143 15G+1 0.00000 -0.00127 0.00000 -0.00739 0.00000
144 15G-1 -0.00595 0.00000 -0.00516 0.00000 0.00199
145 15G+2 -0.00712 0.00000 -0.00048 0.00000 -0.00141
146 15G-2 0.00000 0.00272 0.00000 0.01373 0.00000
147 15G+3 0.00000 -0.00038 0.00000 0.00685 0.00000
148 15G-3 -0.00176 0.00000 -0.01416 0.00000 -0.00240
149 15G+4 -0.00302 0.00000 -0.01455 0.00000 -0.00293
150 15G-4 0.00000 0.00510 0.00000 -0.00012 0.00000
151 3 H 1S -0.00588 0.00000 0.00272 -0.00471 0.00699
152 2S 0.11302 0.00000 -0.02749 0.04761 -0.11665
153 3S 0.20512 0.00000 1.22613 -2.12372 -2.25007
154 4S -1.46165 0.00000 0.67692 -1.17245 -0.60789
155 5S -0.10454 0.00000 -0.03335 0.05777 0.00197
156 6PX -0.00739 0.00917 -0.01711 0.01079 -0.00653
157 6PY 0.00426 0.01588 -0.00896 -0.01711 0.00377
158 6PZ -0.03889 0.00000 -0.00593 0.01027 0.01489
159 7PX 0.04519 -0.06978 0.14669 -0.11271 0.02304
160 7PY -0.02609 -0.12087 0.05667 0.14669 -0.01330
161 7PZ 0.28604 0.00000 0.03472 -0.06013 -0.08248
162 8PX 0.17186 -0.04903 -0.74950 1.03353 0.61719
163 8PY -0.09922 -0.08493 0.16808 -0.74950 -0.35633
164 8PZ 0.22176 0.00000 0.23132 -0.40065 -0.28999
165 9PX 0.94462 -0.44793 -0.28855 0.45458 0.06061
166 9PY -0.54538 -0.77583 0.12139 -0.28855 -0.03500
167 9PZ 0.79429 0.00000 0.25015 -0.43328 0.10903
168 10D 0 0.06689 0.00000 0.01672 -0.02896 0.05988
169 10D+1 0.00097 -0.06979 -0.02879 -0.04380 -0.01915
170 10D-1 -0.00056 -0.12087 -0.07704 -0.02879 0.01106
171 10D+2 0.02688 -0.00580 -0.02765 -0.02859 0.02417
172 10D-2 -0.04657 -0.00335 -0.02859 0.00535 -0.04187
173 11D 0 -0.46060 0.00000 -0.10443 0.18087 -0.39695
174 11D+1 0.00050 0.45007 0.17330 0.31541 0.20078
175 11D-1 -0.00029 0.77955 0.51553 0.17330 -0.11592
176 11D+2 -0.14865 -0.00237 0.17862 0.17848 -0.17519
177 11D-2 0.25747 -0.00137 0.17848 -0.02747 0.30344
178 12D 0 1.17427 0.00000 0.04040 -0.06998 0.73404
179 12D+1 -0.40255 -0.50474 -0.41796 -0.18974 -0.09562
180 12D-1 0.23241 -0.87424 -0.67236 -0.41796 0.05521
181 12D+2 -0.21632 0.49976 -0.08115 -0.41027 0.21322
182 12D-2 0.37468 0.28854 -0.41027 0.39259 -0.36931
183 13F 0 -0.00660 0.00000 -0.01324 0.02294 -0.04618
184 13F+1 0.05294 0.00606 0.01243 0.00249 0.02150
185 13F-1 -0.03057 0.01049 0.01684 0.01243 -0.01241
186 13F+2 -0.00349 -0.03861 -0.00291 -0.01344 -0.00277
187 13F-2 0.00605 -0.02229 -0.01344 0.01261 0.00480
188 13F+3 0.00000 0.03253 -0.01723 -0.00995 0.00000
189 13F-3 0.03667 0.00000 0.00566 -0.00981 -0.03341
190 14F 0 0.09327 0.00000 0.10371 -0.17964 0.48070
191 14F+1 -0.53436 -0.05570 -0.12269 -0.09551 -0.20121
192 14F-1 0.30851 -0.09648 -0.23718 -0.12269 0.11617
193 14F+2 0.02561 0.35725 0.11968 0.10707 -0.00609
194 14F-2 -0.04435 0.20626 0.10707 -0.00395 0.01055
195 14F+3 0.00000 -0.29028 0.13683 0.07900 0.00000
196 14F-3 -0.39592 0.00000 0.01675 -0.02901 0.28275
197 15G 0 -0.00416 0.00000 0.00207 -0.00358 -0.00315
198 15G+1 -0.00515 0.00063 -0.00096 -0.00572 0.00172
199 15G-1 0.00297 0.00110 -0.00683 -0.00096 -0.00099
200 15G+2 0.00356 -0.00236 0.01018 0.00616 0.00071
201 15G-2 -0.00617 -0.00136 0.00616 0.00307 -0.00122
202 15G+3 0.00000 -0.00038 -0.00593 -0.00342 0.00000
203 15G-3 -0.00176 0.00000 0.00708 -0.01226 -0.00240
204 15G+4 0.00151 0.00441 -0.00355 0.00636 0.00146
205 15G-4 0.00262 -0.00255 -0.00636 0.01088 0.00254
206 4 H 1S -0.00588 0.00000 0.00272 0.00471 0.00699
207 2S 0.11302 0.00000 -0.02749 -0.04761 -0.11665
208 3S 0.20512 0.00000 1.22613 2.12372 -2.25007
209 4S -1.46165 0.00000 0.67692 1.17245 -0.60789
210 5S -0.10454 0.00000 -0.03335 -0.05777 0.00197
211 6PX 0.00739 0.00917 0.01711 0.01079 0.00653
212 6PY 0.00426 -0.01588 -0.00896 0.01711 0.00377
213 6PZ -0.03889 0.00000 -0.00593 -0.01027 0.01489
214 7PX -0.04519 -0.06978 -0.14669 -0.11271 -0.02304
215 7PY -0.02609 0.12087 0.05667 -0.14669 -0.01330
216 7PZ 0.28604 0.00000 0.03472 0.06013 -0.08248
217 8PX -0.17186 -0.04903 0.74950 1.03353 -0.61719
218 8PY -0.09922 0.08493 0.16808 0.74950 -0.35633
219 8PZ 0.22176 0.00000 0.23132 0.40065 -0.28999
220 9PX -0.94462 -0.44793 0.28855 0.45458 -0.06061
221 9PY -0.54538 0.77583 0.12139 0.28855 -0.03500
222 9PZ 0.79429 0.00000 0.25015 0.43328 0.10903
223 10D 0 0.06689 0.00000 0.01672 0.02896 0.05988
224 10D+1 -0.00097 -0.06979 0.02879 -0.04380 0.01915
225 10D-1 -0.00056 0.12087 -0.07704 0.02879 0.01106
226 10D+2 0.02688 0.00580 -0.02765 0.02859 0.02417
227 10D-2 0.04657 -0.00335 0.02859 0.00535 0.04187
228 11D 0 -0.46060 0.00000 -0.10443 -0.18087 -0.39695
229 11D+1 -0.00050 0.45007 -0.17330 0.31541 -0.20078
230 11D-1 -0.00029 -0.77955 0.51553 -0.17330 -0.11592
231 11D+2 -0.14865 0.00237 0.17862 -0.17848 -0.17519
232 11D-2 -0.25747 -0.00137 -0.17848 -0.02747 -0.30344
233 12D 0 1.17427 0.00000 0.04040 0.06998 0.73404
234 12D+1 0.40255 -0.50474 0.41796 -0.18974 0.09562
235 12D-1 0.23241 0.87424 -0.67236 0.41796 0.05521
236 12D+2 -0.21632 -0.49976 -0.08115 0.41027 0.21322
237 12D-2 -0.37468 0.28854 0.41027 0.39259 0.36931
238 13F 0 -0.00660 0.00000 -0.01324 -0.02294 -0.04618
239 13F+1 -0.05294 0.00606 -0.01243 0.00249 -0.02150
240 13F-1 -0.03057 -0.01049 0.01684 -0.01243 -0.01241
241 13F+2 -0.00349 0.03861 -0.00291 0.01344 -0.00277
242 13F-2 -0.00605 -0.02229 0.01344 0.01261 -0.00480
243 13F+3 0.00000 0.03253 0.01723 -0.00995 0.00000
244 13F-3 0.03667 0.00000 0.00566 0.00981 -0.03341
245 14F 0 0.09327 0.00000 0.10371 0.17964 0.48070
246 14F+1 0.53436 -0.05570 0.12269 -0.09551 0.20121
247 14F-1 0.30851 0.09648 -0.23718 0.12269 0.11617
248 14F+2 0.02561 -0.35725 0.11968 -0.10707 -0.00609
249 14F-2 0.04435 0.20626 -0.10707 -0.00395 -0.01055
250 14F+3 0.00000 -0.29028 -0.13683 0.07900 0.00000
251 14F-3 -0.39592 0.00000 0.01675 0.02901 0.28275
252 15G 0 -0.00416 0.00000 0.00207 0.00358 -0.00315
253 15G+1 0.00515 0.00063 0.00096 -0.00572 -0.00172
254 15G-1 0.00297 -0.00110 -0.00683 0.00096 -0.00099
255 15G+2 0.00356 0.00236 0.01018 -0.00616 0.00071
256 15G-2 0.00617 -0.00136 -0.00616 0.00307 0.00122
257 15G+3 0.00000 -0.00038 0.00593 -0.00342 0.00000
258 15G-3 -0.00176 0.00000 0.00708 0.01226 -0.00240
259 15G+4 0.00151 -0.00441 -0.00355 -0.00636 0.00146
260 15G-4 -0.00262 -0.00255 0.00636 0.01088 -0.00254
141 142 143 144 145
(E)--V (E)--V (A1)--V (E)--V (E)--V
Eigenvalues -- 5.32249 5.32249 5.33245 5.35460 5.35460
1 1 P 1S 0.00000 0.00000 0.03313 0.00000 0.00000
2 2S 0.00000 0.00000 0.00821 0.00000 0.00000
3 3S 0.00000 0.00000 0.55034 0.00000 0.00000
4 4S 0.00000 0.00000 2.45421 0.00000 0.00000
5 5S 0.00000 0.00000 -9.41677 0.00000 0.00000
6 6S 0.00000 0.00000 11.60672 0.00000 0.00000
7 7S 0.00000 0.00000 0.61169 0.00000 0.00000
8 8PX 0.00000 -0.03684 0.00000 0.00000 -0.04127
9 8PY -0.03684 0.00000 0.00000 -0.04127 0.00000
10 8PZ 0.00000 0.00000 -0.04643 0.00000 0.00000
11 9PX 0.00000 -0.17786 0.00000 0.00000 0.12872
12 9PY -0.17786 0.00000 0.00000 0.12872 0.00000
13 9PZ 0.00000 0.00000 0.37523 0.00000 0.00000
14 10PX 0.00000 -1.46247 0.00000 0.00000 0.78756
15 10PY -1.46247 0.00000 0.00000 0.78756 0.00000
16 10PZ 0.00000 0.00000 1.52906 0.00000 0.00000
17 11PX 0.00000 5.14972 0.00000 0.00000 -2.50211
18 11PY 5.14972 0.00000 0.00000 -2.50211 0.00000
19 11PZ 0.00000 0.00000 -0.31259 0.00000 0.00000
20 12PX 0.00000 8.73741 0.00000 0.00000 -1.90492
21 12PY 8.73741 0.00000 0.00000 -1.90492 0.00000
22 12PZ 0.00000 0.00000 -5.45644 0.00000 0.00000
23 13PX 0.00000 0.40421 0.00000 0.00000 0.05321
24 13PY 0.40421 0.00000 0.00000 0.05321 0.00000
25 13PZ 0.00000 0.00000 0.13601 0.00000 0.00000
26 14D 0 0.00000 0.00000 0.48464 0.00000 0.00000
27 14D+1 0.00000 -2.98760 0.00000 0.00000 0.30924
28 14D-1 -2.98760 0.00000 0.00000 0.30924 0.00000
29 14D+2 -1.66958 0.00000 0.00000 0.06216 0.00000
30 14D-2 0.00000 -1.66958 0.00000 0.00000 0.06216
31 15D 0 0.00000 0.00000 0.49280 0.00000 0.00000
32 15D+1 0.00000 -3.44046 0.00000 0.00000 0.98078
33 15D-1 -3.44046 0.00000 0.00000 0.98078 0.00000
34 15D+2 -1.88194 0.00000 0.00000 2.05166 0.00000
35 15D-2 0.00000 -1.88194 0.00000 0.00000 2.05166
36 16D 0 0.00000 0.00000 -0.10587 0.00000 0.00000
37 16D+1 0.00000 0.05085 0.00000 0.00000 0.00833
38 16D-1 0.05085 0.00000 0.00000 0.00833 0.00000
39 16D+2 -0.08581 0.00000 0.00000 -0.13698 0.00000
40 16D-2 0.00000 -0.08581 0.00000 0.00000 -0.13698
41 17D 0 0.00000 0.00000 -0.03103 0.00000 0.00000
42 17D+1 0.00000 -0.02264 0.00000 0.00000 -0.10349
43 17D-1 -0.02264 0.00000 0.00000 -0.10349 0.00000
44 17D+2 -0.03751 0.00000 0.00000 -0.01673 0.00000
45 17D-2 0.00000 -0.03751 0.00000 0.00000 -0.01673
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48 18F-1 0.24317 0.00000 0.00000 -0.02706 0.00000
49 18F+2 0.60565 0.00000 0.00000 0.62184 0.00000
50 18F-2 0.00000 0.60565 0.00000 0.00000 0.62184
51 18F+3 0.00000 0.00000 0.00000 0.00000 0.00000
52 18F-3 0.00000 0.00000 -0.78659 0.00000 0.00000
53 19F 0 0.00000 0.00000 0.27513 0.00000 0.00000
54 19F+1 0.00000 -0.40228 0.00000 0.00000 -0.08595
55 19F-1 -0.40228 0.00000 0.00000 -0.08595 0.00000
56 19F+2 0.04260 0.00000 0.00000 -0.81644 0.00000
57 19F-2 0.00000 0.04260 0.00000 0.00000 -0.81644
58 19F+3 0.00000 0.00000 0.00000 0.00000 0.00000
59 19F-3 0.00000 0.00000 -1.85808 0.00000 0.00000
60 20F 0 0.00000 0.00000 -0.09603 0.00000 0.00000
61 20F+1 0.00000 0.26812 0.00000 0.00000 0.20670
62 20F-1 0.26812 0.00000 0.00000 0.20670 0.00000
63 20F+2 0.58733 0.00000 0.00000 -0.00729 0.00000
64 20F-2 0.00000 0.58733 0.00000 0.00000 -0.00729
65 20F+3 0.00000 0.00000 0.00000 0.00000 0.00000
66 20F-3 0.00000 0.00000 0.66171 0.00000 0.00000
67 21G 0 0.00000 0.00000 -0.70534 0.00000 0.00000
68 21G+1 0.00000 0.65726 0.00000 0.00000 0.58540
69 21G-1 0.65726 0.00000 0.00000 0.58540 0.00000
70 21G+2 0.06775 0.00000 0.00000 -0.92400 0.00000
71 21G-2 0.00000 0.06775 0.00000 0.00000 -0.92400
72 21G+3 0.00000 0.00000 0.00000 0.00000 0.00000
73 21G-3 0.00000 0.00000 1.64055 0.00000 0.00000
74 21G+4 0.91407 0.00000 0.00000 -0.09236 0.00000
75 21G-4 0.00000 -0.91407 0.00000 0.00000 0.09236
76 22G 0 0.00000 0.00000 0.66855 0.00000 0.00000
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78 22G-1 0.15226 0.00000 0.00000 -0.73840 0.00000
79 22G+2 0.21590 0.00000 0.00000 0.79734 0.00000
80 22G-2 0.00000 0.21590 0.00000 0.00000 0.79734
81 22G+3 0.00000 0.00000 0.00000 0.00000 0.00000
82 22G-3 0.00000 0.00000 -0.34942 0.00000 0.00000
83 22G+4 -0.02780 0.00000 0.00000 0.20654 0.00000
84 22G-4 0.00000 0.02780 0.00000 0.00000 -0.20654
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86 23H+1 0.00000 -0.49910 0.00000 0.00000 -0.18394
87 23H-1 -0.49910 0.00000 0.00000 -0.18394 0.00000
88 23H+2 -0.27456 0.00000 0.00000 0.25082 0.00000
89 23H-2 0.00000 -0.27456 0.00000 0.00000 0.25082
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91 23H-3 0.00000 0.00000 -0.60281 0.00000 0.00000
92 23H+4 -0.79318 0.00000 0.00000 0.11133 0.00000
93 23H-4 0.00000 0.79318 0.00000 0.00000 -0.11133
94 23H+5 0.00000 -0.35163 0.00000 0.00000 0.02411
95 23H-5 0.35163 0.00000 0.00000 -0.02411 0.00000
96 2 H 1S -0.01755 0.00000 0.01468 0.01841 0.00000
97 2S 0.84151 0.00000 -0.17442 -0.52610 0.00000
98 3S -4.42884 0.00000 -2.76761 0.84349 0.00000
99 4S -7.97275 0.00000 -1.40269 3.37667 0.00000
100 5S 0.20952 0.00000 0.12018 -0.23851 0.00000
101 6PX 0.00000 -0.01632 0.00000 0.00000 0.00644
102 6PY 0.02989 0.00000 0.00051 -0.04044 0.00000
103 6PZ 0.00392 0.00000 0.00824 0.03752 0.00000
104 7PX 0.00000 0.12227 0.00000 0.00000 -0.05492
105 7PY -0.25787 0.00000 -0.05339 0.29874 0.00000
106 7PZ 0.02041 0.00000 -0.03106 -0.27811 0.00000
107 8PX 0.00000 -0.62699 0.00000 0.00000 0.04413
108 8PY 1.82308 0.00000 0.87657 -0.85278 0.00000
109 8PZ -1.63006 0.00000 -0.41453 0.85333 0.00000
110 9PX 0.00000 -1.16171 0.00000 0.00000 -0.11989
111 9PY 2.90118 0.00000 0.26897 -1.77526 0.00000
112 9PZ -2.90973 0.00000 0.35512 1.38194 0.00000
113 10D 0 -0.03330 0.00000 -0.01922 0.02091 0.00000
114 10D+1 0.00000 0.01112 0.00000 0.00000 -0.06073
115 10D-1 0.01950 0.00000 -0.06269 -0.05606 0.00000
116 10D+2 -0.02004 0.00000 -0.01753 -0.04379 0.00000
117 10D-2 0.00000 0.07467 0.00000 0.00000 0.01894
118 11D 0 0.25554 0.00000 0.11366 -0.15329 0.00000
119 11D+1 0.00000 -0.03628 0.00000 0.00000 0.40925
120 11D-1 -0.18500 0.00000 0.51353 0.47168 0.00000
121 11D+2 0.11996 0.00000 0.19150 0.35220 0.00000
122 11D-2 0.00000 -0.54721 0.00000 0.00000 -0.15429
123 12D 0 -0.81111 0.00000 -0.15395 0.41356 0.00000
124 12D+1 0.00000 -0.46769 0.00000 0.00000 -0.77421
125 12D-1 2.01448 0.00000 -0.94326 -1.16970 0.00000
126 12D+2 0.71933 0.00000 -0.03266 -0.78284 0.00000
127 12D-2 0.00000 1.25628 0.00000 0.00000 0.26877
128 13F 0 -0.01835 0.00000 0.05234 -0.00365 0.00000
129 13F+1 0.00000 -0.02035 0.00000 0.00000 0.00540
130 13F-1 -0.04098 0.00000 -0.00087 0.01786 0.00000
131 13F+2 -0.06012 0.00000 0.03862 0.00724 0.00000
132 13F-2 0.00000 -0.01567 0.00000 0.00000 -0.04433
133 13F+3 0.00000 -0.02880 0.00000 0.00000 -0.01537
134 13F-3 0.02369 0.00000 0.01715 0.00808 0.00000
135 14F 0 0.27286 0.00000 -0.46345 0.05806 0.00000
136 14F+1 0.00000 0.14788 0.00000 0.00000 -0.11756
137 14F-1 0.57979 0.00000 -0.01735 -0.23847 0.00000
138 14F+2 0.78112 0.00000 -0.29592 -0.16508 0.00000
139 14F-2 0.00000 0.24336 0.00000 0.00000 0.47153
140 14F+3 0.00000 0.38136 0.00000 0.00000 0.09999
141 14F-3 -0.34828 0.00000 -0.22418 -0.01952 0.00000
142 15G 0 0.01236 0.00000 -0.00508 0.00181 0.00000
143 15G+1 0.00000 -0.00243 0.00000 0.00000 -0.00439
144 15G-1 0.00882 0.00000 -0.00916 -0.00386 0.00000
145 15G+2 0.01581 0.00000 -0.00326 -0.00842 0.00000
146 15G-2 0.00000 0.00958 0.00000 0.00000 0.01072
147 15G+3 0.00000 0.01344 0.00000 0.00000 0.00130
148 15G-3 -0.01236 0.00000 -0.00118 0.01225 0.00000
149 15G+4 -0.00123 0.00000 0.00443 0.00933 0.00000
150 15G-4 0.00000 -0.00982 0.00000 0.00000 0.00556
151 3 H 1S 0.00878 -0.01520 0.01468 -0.00920 0.01594
152 2S -0.42076 0.72877 -0.17442 0.26305 -0.45561
153 3S 2.21442 -3.83548 -2.76761 -0.42175 0.73048
154 4S 3.98637 -6.90460 -1.40269 -1.68834 2.92428
155 5S -0.10476 0.18145 0.12018 0.11926 -0.20656
156 6PX -0.02001 0.01833 0.00044 0.02030 -0.02872
157 6PY -0.00477 -0.02001 -0.00026 -0.00528 0.02030
158 6PZ -0.00196 0.00340 0.00824 -0.01876 0.03249
159 7PX 0.16460 -0.16283 -0.04623 -0.15314 0.21033
160 7PY 0.02724 0.16460 0.02669 0.03350 -0.15314
161 7PZ -0.01021 0.01768 -0.03106 0.13905 -0.24085
162 8PX -1.06091 1.21056 0.75914 0.38837 -0.62855
163 8PY -0.01448 -1.06091 -0.43829 -0.18010 0.38837
164 8PZ 0.81503 -1.41168 -0.41453 -0.42666 0.73900
165 9PX -1.75928 1.88546 0.23293 0.71680 -1.36142
166 9PY -0.14598 -1.75928 -0.13448 -0.53373 0.71680
167 9PZ 1.45487 -2.51990 0.35512 -0.69097 1.19679
168 10D 0 0.01665 -0.02884 -0.01922 -0.01045 0.01810
169 10D+1 -0.00363 0.01740 -0.05429 -0.00202 -0.05723
170 10D-1 0.01321 -0.00363 0.03134 -0.05956 -0.00202
171 10D+2 0.05100 0.04101 0.00876 0.00326 0.02716
172 10D-2 0.04101 0.00364 -0.01518 0.02716 -0.02811
173 11D 0 -0.12777 0.22130 0.11366 0.07665 -0.13276
174 11D+1 0.06440 -0.14782 0.44473 -0.02703 0.45607
175 11D-1 -0.07346 0.06440 -0.25677 0.42486 -0.02703
176 11D+2 -0.38042 -0.28890 -0.09575 -0.02767 -0.21932
177 11D-2 -0.28890 -0.04683 0.16584 -0.21932 0.22558
178 12D 0 0.40556 -0.70244 -0.15395 -0.20678 0.35815
179 12D+1 -1.07481 1.39394 -0.81689 0.17125 -1.07083
180 12D-1 0.15286 -1.07481 0.47163 -0.87309 0.17125
181 12D+2 1.12204 0.23251 0.01633 0.00587 0.45536
182 12D-2 0.23251 0.85356 -0.02828 0.45536 -0.51994
183 13F 0 0.00918 -0.01589 0.05234 0.00183 -0.00316
184 13F+1 0.00893 -0.03582 -0.00076 -0.00540 0.01475
185 13F-1 -0.02551 0.00893 0.00044 0.00852 -0.00540
186 13F+2 -0.02678 0.01925 -0.01931 -0.03144 -0.02233
187 13F-2 0.01925 -0.04901 0.03344 -0.02233 -0.00565
188 13F+3 0.02494 0.01440 0.00000 0.01331 0.00768
189 13F-3 -0.01185 0.02052 0.01715 -0.00404 0.00700
190 14F 0 -0.13643 0.23630 -0.46345 -0.02903 0.05028
191 14F+1 -0.18702 0.47182 -0.01502 0.05236 -0.20824
192 14F-1 0.25586 -0.18702 0.00867 -0.14779 0.05236
193 14F+2 0.37780 -0.23286 0.14796 0.31238 0.27566
194 14F-2 -0.23286 0.64668 -0.25628 0.27566 -0.00593
195 14F+3 -0.33027 -0.19068 0.00000 -0.08659 -0.04999
196 14F-3 0.17414 -0.30162 -0.22418 0.00976 -0.01690
197 15G 0 -0.00618 0.01070 -0.00508 -0.00091 0.00157
198 15G+1 -0.00487 0.00600 -0.00793 -0.00023 -0.00400
199 15G-1 0.00038 -0.00487 0.00458 -0.00426 -0.00023
200 15G+2 0.01114 -0.00270 0.00163 0.00594 0.00829
201 15G-2 -0.00270 0.01425 -0.00283 0.00829 -0.00364
202 15G+3 -0.01164 -0.00672 0.00000 -0.00113 -0.00065
203 15G-3 0.00618 -0.01070 -0.00118 -0.00613 0.01061
204 15G+4 0.00706 0.00478 -0.00222 -0.00184 -0.00645
205 15G-4 -0.00478 -0.00153 -0.00384 0.00645 -0.00561
206 4 H 1S 0.00878 0.01520 0.01468 -0.00920 -0.01594
207 2S -0.42076 -0.72877 -0.17442 0.26305 0.45561
208 3S 2.21442 3.83548 -2.76761 -0.42175 -0.73048
209 4S 3.98637 6.90460 -1.40269 -1.68834 -2.92428
210 5S -0.10476 -0.18145 0.12018 0.11926 0.20656
211 6PX 0.02001 0.01833 -0.00044 -0.02030 -0.02872
212 6PY -0.00477 0.02001 -0.00026 -0.00528 -0.02030
213 6PZ -0.00196 -0.00340 0.00824 -0.01876 -0.03249
214 7PX -0.16460 -0.16283 0.04623 0.15314 0.21033
215 7PY 0.02724 -0.16460 0.02669 0.03350 0.15314
216 7PZ -0.01021 -0.01768 -0.03106 0.13905 0.24085
217 8PX 1.06091 1.21056 -0.75914 -0.38837 -0.62855
218 8PY -0.01448 1.06091 -0.43829 -0.18010 -0.38837
219 8PZ 0.81503 1.41168 -0.41453 -0.42666 -0.73900
220 9PX 1.75928 1.88546 -0.23293 -0.71680 -1.36142
221 9PY -0.14598 1.75928 -0.13448 -0.53373 -0.71680
222 9PZ 1.45487 2.51990 0.35512 -0.69097 -1.19679
223 10D 0 0.01665 0.02884 -0.01922 -0.01045 -0.01810
224 10D+1 0.00363 0.01740 0.05429 0.00202 -0.05723
225 10D-1 0.01321 0.00363 0.03134 -0.05956 0.00202
226 10D+2 0.05100 -0.04101 0.00876 0.00326 -0.02716
227 10D-2 -0.04101 0.00364 0.01518 -0.02716 -0.02811
228 11D 0 -0.12777 -0.22130 0.11366 0.07665 0.13276
229 11D+1 -0.06440 -0.14782 -0.44473 0.02703 0.45607
230 11D-1 -0.07346 -0.06440 -0.25677 0.42486 0.02703
231 11D+2 -0.38042 0.28890 -0.09575 -0.02767 0.21932
232 11D-2 0.28890 -0.04683 -0.16584 0.21932 0.22558
233 12D 0 0.40556 0.70244 -0.15395 -0.20678 -0.35815
234 12D+1 1.07481 1.39394 0.81689 -0.17125 -1.07083
235 12D-1 0.15286 1.07481 0.47163 -0.87309 -0.17125
236 12D+2 1.12204 -0.23251 0.01633 0.00587 -0.45536
237 12D-2 -0.23251 0.85356 0.02828 -0.45536 -0.51994
238 13F 0 0.00918 0.01589 0.05234 0.00183 0.00316
239 13F+1 -0.00893 -0.03582 0.00076 0.00540 0.01475
240 13F-1 -0.02551 -0.00893 0.00044 0.00852 0.00540
241 13F+2 -0.02678 -0.01925 -0.01931 -0.03144 0.02233
242 13F-2 -0.01925 -0.04901 -0.03344 0.02233 -0.00565
243 13F+3 -0.02494 0.01440 0.00000 -0.01331 0.00768
244 13F-3 -0.01185 -0.02052 0.01715 -0.00404 -0.00700
245 14F 0 -0.13643 -0.23630 -0.46345 -0.02903 -0.05028
246 14F+1 0.18702 0.47182 0.01502 -0.05236 -0.20824
247 14F-1 0.25586 0.18702 0.00867 -0.14779 -0.05236
248 14F+2 0.37780 0.23286 0.14796 0.31238 -0.27566
249 14F-2 0.23286 0.64668 0.25628 -0.27566 -0.00593
250 14F+3 0.33027 -0.19068 0.00000 0.08659 -0.04999
251 14F-3 0.17414 0.30162 -0.22418 0.00976 0.01690
252 15G 0 -0.00618 -0.01070 -0.00508 -0.00091 -0.00157
253 15G+1 0.00487 0.00600 0.00793 0.00023 -0.00400
254 15G-1 0.00038 0.00487 0.00458 -0.00426 0.00023
255 15G+2 0.01114 0.00270 0.00163 0.00594 -0.00829
256 15G-2 0.00270 0.01425 0.00283 -0.00829 -0.00364
257 15G+3 0.01164 -0.00672 0.00000 0.00113 -0.00065
258 15G-3 0.00618 0.01070 -0.00118 -0.00613 -0.01061
259 15G+4 0.00706 -0.00478 -0.00222 -0.00184 0.00645
260 15G-4 0.00478 -0.00153 0.00384 -0.00645 -0.00561
146 147 148 149 150
(A1)--V (E)--V (E)--V (A1)--V (A2)--V
Eigenvalues -- 5.42765 5.42924 5.42924 5.46863 5.50211
1 1 P 1S -0.02018 0.00000 0.00000 -0.11089 0.00000
2 2S -0.05177 0.00000 0.00000 0.03033 0.00000
3 3S -0.49912 0.00000 0.00000 -1.40785 0.00000
4 4S -2.85411 0.00000 0.00000 -2.80136 0.00000
5 5S 8.66913 0.00000 0.00000 -1.17507 0.00000
6 6S -6.45979 0.00000 0.00000 11.92824 0.00000
7 7S 1.04927 0.00000 0.00000 1.03836 0.00000
8 8PX 0.00000 0.00000 0.05926 0.00000 0.00000
9 8PY 0.00000 0.05926 0.00000 0.00000 0.00000
10 8PZ 0.07416 0.00000 0.00000 -0.09364 0.00000
11 9PX 0.00000 0.00000 -0.45159 0.00000 0.00000
12 9PY 0.00000 -0.45159 0.00000 0.00000 0.00000
13 9PZ -0.29428 0.00000 0.00000 0.34395 0.00000
14 10PX 0.00000 0.00000 -2.49984 0.00000 0.00000
15 10PY 0.00000 -2.49984 0.00000 0.00000 0.00000
16 10PZ -0.94919 0.00000 0.00000 1.68810 0.00000
17 11PX 0.00000 0.00000 6.20579 0.00000 0.00000
18 11PY 0.00000 6.20579 0.00000 0.00000 0.00000
19 11PZ -1.17417 0.00000 0.00000 -2.83018 0.00000
20 12PX 0.00000 0.00000 3.44488 0.00000 0.00000
21 12PY 0.00000 3.44488 0.00000 0.00000 0.00000
22 12PZ 2.00386 0.00000 0.00000 -4.26933 0.00000
23 13PX 0.00000 0.00000 0.03059 0.00000 0.00000
24 13PY 0.00000 0.03059 0.00000 0.00000 0.00000
25 13PZ -0.32560 0.00000 0.00000 0.00922 0.00000
26 14D 0 0.07654 0.00000 0.00000 -0.12769 0.00000
27 14D+1 0.00000 0.00000 -0.48544 0.00000 0.00000
28 14D-1 0.00000 -0.48544 0.00000 0.00000 0.00000
29 14D+2 0.00000 -0.47341 0.00000 0.00000 0.00000
30 14D-2 0.00000 0.00000 -0.47341 0.00000 0.00000
31 15D 0 0.59453 0.00000 0.00000 -0.47870 0.00000
32 15D+1 0.00000 0.00000 -3.90285 0.00000 0.00000
33 15D-1 0.00000 -3.90285 0.00000 0.00000 0.00000
34 15D+2 0.00000 -2.28126 0.00000 0.00000 0.00000
35 15D-2 0.00000 0.00000 -2.28126 0.00000 0.00000
36 16D 0 -0.23437 0.00000 0.00000 0.10258 0.00000
37 16D+1 0.00000 0.00000 0.43385 0.00000 0.00000
38 16D-1 0.00000 0.43385 0.00000 0.00000 0.00000
39 16D+2 0.00000 0.28625 0.00000 0.00000 0.00000
40 16D-2 0.00000 0.00000 0.28625 0.00000 0.00000
41 17D 0 -0.06882 0.00000 0.00000 0.04043 0.00000
42 17D+1 0.00000 0.00000 0.02938 0.00000 0.00000
43 17D-1 0.00000 0.02938 0.00000 0.00000 0.00000
44 17D+2 0.00000 0.14757 0.00000 0.00000 0.00000
45 17D-2 0.00000 0.00000 0.14757 0.00000 0.00000
46 18F 0 -0.04065 0.00000 0.00000 0.42953 0.00000
47 18F+1 0.00000 0.00000 -0.42365 0.00000 0.00000
48 18F-1 0.00000 -0.42365 0.00000 0.00000 0.00000
49 18F+2 0.00000 -0.21159 0.00000 0.00000 0.00000
50 18F-2 0.00000 0.00000 -0.21159 0.00000 0.00000
51 18F+3 0.00000 0.00000 0.00000 0.00000 -0.34487
52 18F-3 0.54330 0.00000 0.00000 0.16850 0.00000
53 19F 0 -0.96066 0.00000 0.00000 1.48457 0.00000
54 19F+1 0.00000 0.00000 0.90913 0.00000 0.00000
55 19F-1 0.00000 0.90913 0.00000 0.00000 0.00000
56 19F+2 0.00000 1.89480 0.00000 0.00000 0.00000
57 19F-2 0.00000 0.00000 1.89480 0.00000 0.00000
58 19F+3 0.00000 0.00000 0.00000 0.00000 -0.53620
59 19F-3 0.70154 0.00000 0.00000 -1.26308 0.00000
60 20F 0 0.72179 0.00000 0.00000 -0.57119 0.00000
61 20F+1 0.00000 0.00000 -0.08199 0.00000 0.00000
62 20F-1 0.00000 -0.08199 0.00000 0.00000 0.00000
63 20F+2 0.00000 -0.56647 0.00000 0.00000 0.00000
64 20F-2 0.00000 0.00000 -0.56647 0.00000 0.00000
65 20F+3 0.00000 0.00000 0.00000 0.00000 -0.04345
66 20F-3 -0.61731 0.00000 0.00000 0.54674 0.00000
67 21G 0 -0.27654 0.00000 0.00000 -0.90114 0.00000
68 21G+1 0.00000 0.00000 0.41723 0.00000 0.00000
69 21G-1 0.00000 0.41723 0.00000 0.00000 0.00000
70 21G+2 0.00000 -0.20849 0.00000 0.00000 0.00000
71 21G-2 0.00000 0.00000 -0.20849 0.00000 0.00000
72 21G+3 0.00000 0.00000 0.00000 0.00000 0.88673
73 21G-3 -0.34557 0.00000 0.00000 0.17175 0.00000
74 21G+4 0.00000 -0.29455 0.00000 0.00000 0.00000
75 21G-4 0.00000 0.00000 0.29455 0.00000 0.00000
76 22G 0 0.36602 0.00000 0.00000 0.51052 0.00000
77 22G+1 0.00000 0.00000 -0.26742 0.00000 0.00000
78 22G-1 0.00000 -0.26742 0.00000 0.00000 0.00000
79 22G+2 0.00000 -0.24548 0.00000 0.00000 0.00000
80 22G-2 0.00000 0.00000 -0.24548 0.00000 0.00000
81 22G+3 0.00000 0.00000 0.00000 0.00000 0.05025
82 22G-3 0.37459 0.00000 0.00000 0.27311 0.00000
83 22G+4 0.00000 0.65168 0.00000 0.00000 0.00000
84 22G-4 0.00000 0.00000 -0.65168 0.00000 0.00000
85 23H 0 0.12250 0.00000 0.00000 0.09768 0.00000
86 23H+1 0.00000 0.00000 -0.24718 0.00000 0.00000
87 23H-1 0.00000 -0.24718 0.00000 0.00000 0.00000
88 23H+2 0.00000 -0.04134 0.00000 0.00000 0.00000
89 23H-2 0.00000 0.00000 -0.04134 0.00000 0.00000
90 23H+3 0.00000 0.00000 0.00000 0.00000 -1.11015
91 23H-3 -0.56761 0.00000 0.00000 -0.05949 0.00000
92 23H+4 0.00000 0.06093 0.00000 0.00000 0.00000
93 23H-4 0.00000 0.00000 -0.06093 0.00000 0.00000
94 23H+5 0.00000 0.00000 -0.24918 0.00000 0.00000
95 23H-5 0.00000 0.24918 0.00000 0.00000 0.00000
96 2 H 1S -0.00608 -0.03107 0.00000 -0.00528 0.00000
97 2S -0.06679 0.70845 0.00000 0.35242 0.00000
98 3S 1.03736 -3.45285 0.00000 -2.20819 0.00000
99 4S 0.12253 -4.64085 0.00000 -3.10917 0.00000
100 5S -0.25063 0.15375 0.00000 0.06695 0.00000
101 6PX 0.00000 0.00000 0.05126 0.00000 -0.00107
102 6PY 0.01550 0.03775 0.00000 0.02671 0.00000
103 6PZ 0.03388 -0.03746 0.00000 -0.01245 0.00000
104 7PX 0.00000 0.00000 -0.38212 0.00000 0.03282
105 7PY -0.12791 -0.31345 0.00000 -0.20291 0.00000
106 7PZ -0.25126 0.29768 0.00000 0.09797 0.00000
107 8PX 0.00000 0.00000 0.51765 0.00000 -0.49261
108 8PY 0.21847 2.22146 0.00000 0.98914 0.00000
109 8PZ 0.46075 -1.40087 0.00000 -0.59649 0.00000
110 9PX 0.00000 0.00000 -0.41797 0.00000 -0.83444
111 9PY 0.33974 2.63831 0.00000 1.52231 0.00000
112 9PZ -0.26961 -1.81592 0.00000 -0.90787 0.00000
113 10D 0 0.02957 0.00864 0.00000 0.04084 0.00000
114 10D+1 0.00000 0.00000 -0.08128 0.00000 0.02276
115 10D-1 0.04157 0.05638 0.00000 0.08228 0.00000
116 10D+2 -0.02946 0.01541 0.00000 -0.00388 0.00000
117 10D-2 0.00000 0.00000 -0.00924 0.00000 0.06343
118 11D 0 -0.21611 -0.07673 0.00000 -0.26589 0.00000
119 11D+1 0.00000 0.00000 0.53497 0.00000 -0.12504
120 11D-1 -0.31766 -0.44296 0.00000 -0.57255 0.00000
121 11D+2 0.14924 -0.16246 0.00000 0.00481 0.00000
122 11D-2 0.00000 0.00000 0.04837 0.00000 -0.47846
123 12D 0 0.35446 0.36507 0.00000 0.35030 0.00000
124 12D+1 0.00000 0.00000 -0.54938 0.00000 -0.01072
125 12D-1 0.85199 1.62684 0.00000 0.92094 0.00000
126 12D+2 0.48732 1.15253 0.00000 0.11408 0.00000
127 12D-2 0.00000 0.00000 0.16741 0.00000 1.25554
128 13F 0 -0.02484 0.00238 0.00000 0.00420 0.00000
129 13F+1 0.00000 0.00000 -0.00143 0.00000 -0.04403
130 13F-1 -0.03514 0.01057 0.00000 0.01121 0.00000
131 13F+2 -0.04848 0.00284 0.00000 0.00939 0.00000
132 13F-2 0.00000 0.00000 -0.04550 0.00000 0.00963
133 13F+3 0.00000 0.00000 -0.03483 0.00000 -0.04311
134 13F-3 0.04098 0.00422 0.00000 -0.02622 0.00000
135 14F 0 0.28946 0.14195 0.00000 0.02976 0.00000
136 14F+1 0.00000 0.00000 0.04565 0.00000 0.44260
137 14F-1 0.22100 -0.04060 0.00000 -0.07603 0.00000
138 14F+2 0.50708 0.16639 0.00000 -0.00848 0.00000
139 14F-2 0.00000 0.00000 0.38116 0.00000 -0.03983
140 14F+3 0.00000 0.00000 0.27112 0.00000 0.57060
141 14F-3 -0.42737 -0.14634 0.00000 0.24520 0.00000
142 15G 0 -0.00521 0.01598 0.00000 0.00753 0.00000
143 15G+1 0.00000 0.00000 0.00125 0.00000 0.00160
144 15G-1 -0.01175 -0.01478 0.00000 -0.00629 0.00000
145 15G+2 -0.00030 0.00902 0.00000 0.00892 0.00000
146 15G-2 0.00000 0.00000 -0.00446 0.00000 0.00605
147 15G+3 0.00000 0.00000 -0.00397 0.00000 0.01217
148 15G-3 -0.00472 -0.01416 0.00000 -0.00922 0.00000
149 15G+4 0.00216 -0.00523 0.00000 -0.00373 0.00000
150 15G-4 0.00000 0.00000 0.00264 0.00000 -0.00982
151 3 H 1S -0.00608 0.01553 -0.02690 -0.00528 0.00000
152 2S -0.06679 -0.35423 0.61354 0.35242 0.00000
153 3S 1.03736 1.72643 -2.99026 -2.20819 0.00000
154 4S 0.12253 2.32042 -4.01909 -3.10917 0.00000
155 5S -0.25063 -0.07688 0.13316 0.06695 0.00000
156 6PX 0.01343 0.00585 0.04113 0.02313 0.00053
157 6PY -0.00775 0.04789 0.00585 -0.01335 0.00092
158 6PZ 0.03388 0.01873 -0.03244 -0.01245 0.00000
159 7PX -0.11078 -0.02974 -0.33061 -0.17573 -0.01641
160 7PY 0.06396 -0.36495 -0.02974 0.10146 -0.02842
161 7PZ -0.25126 -0.14884 0.25780 0.09797 0.00000
162 8PX 0.18920 -0.73777 1.79550 0.85662 0.24630
163 8PY -0.10923 0.94360 -0.73777 -0.49457 0.42661
164 8PZ 0.46075 0.70044 -1.21319 -0.59649 0.00000
165 9PX 0.29422 -1.32341 1.87424 1.31836 0.41722
166 9PY -0.16987 0.34610 -1.32341 -0.76115 0.72265
167 9PZ -0.26961 0.90796 -1.57263 -0.90787 0.00000
168 10D 0 0.02957 -0.00432 0.00748 0.04084 0.00000
169 10D+1 0.03600 -0.05961 0.02197 0.07126 -0.01138
170 10D-1 -0.02078 -0.04686 -0.05961 -0.04114 -0.01971
171 10D+2 0.01473 -0.00308 -0.01068 0.00194 -0.05493
172 10D-2 -0.02551 -0.01068 0.00925 -0.00336 -0.03172
173 11D 0 -0.21611 0.03836 -0.06645 -0.26589 0.00000
174 11D+1 -0.27510 0.42345 -0.19848 -0.49584 0.06252
175 11D-1 0.15883 0.29048 0.42345 0.28627 0.10829
176 11D+2 -0.07462 -0.00434 0.09129 -0.00240 0.41436
177 11D-2 0.12925 0.09129 -0.10975 0.00416 0.23923
178 12D 0 0.35446 -0.18254 0.31616 0.35030 0.00000
179 12D+1 0.73785 -0.94233 1.08278 0.79755 0.00536
180 12D-1 -0.42600 -0.00533 -0.94233 -0.46047 0.00928
181 12D+2 -0.24366 0.41369 -0.42657 -0.05704 -1.08733
182 12D-2 0.42204 -0.42657 0.90625 0.09880 -0.62777
183 13F 0 -0.02484 -0.00119 0.00206 0.00420 0.00000
184 13F+1 -0.03043 -0.00520 0.00757 0.00971 0.02202
185 13F-1 0.01757 0.00157 -0.00520 -0.00561 0.03813
186 13F+2 0.02424 -0.03342 -0.02093 -0.00470 -0.00834
187 13F-2 -0.04198 -0.02093 -0.00924 0.00813 -0.00482
188 13F+3 0.00000 0.03016 0.01741 0.00000 -0.04311
189 13F-3 0.04098 -0.00211 0.00365 -0.02622 0.00000
190 14F 0 0.28946 -0.07097 0.12293 0.02976 0.00000
191 14F+1 0.19139 0.03735 -0.01903 -0.06584 -0.22130
192 14F-1 -0.11050 0.02409 0.03735 0.03801 -0.38330
193 14F+2 -0.25354 0.32747 0.09300 0.00424 0.03449
194 14F-2 0.43915 0.09300 0.22008 -0.00734 0.01991
195 14F+3 0.00000 -0.23480 -0.13556 0.00000 0.57060
196 14F-3 -0.42737 0.07317 -0.12674 0.24520 0.00000
197 15G 0 -0.00521 -0.00799 0.01384 0.00753 0.00000
198 15G+1 -0.01017 0.00694 -0.01077 -0.00544 -0.00080
199 15G-1 0.00587 -0.00276 0.00694 0.00314 -0.00139
200 15G+2 0.00015 -0.00109 -0.00584 -0.00446 -0.00524
201 15G-2 -0.00026 -0.00584 0.00565 0.00772 -0.00302
202 15G+3 0.00000 0.00343 0.00198 0.00000 0.01217
203 15G-3 -0.00472 0.00708 -0.01226 -0.00922 0.00000
204 15G+4 -0.00108 -0.00329 0.00112 0.00187 -0.00850
205 15G-4 -0.00187 -0.00112 0.00458 0.00323 0.00491
206 4 H 1S -0.00608 0.01553 0.02690 -0.00528 0.00000
207 2S -0.06679 -0.35423 -0.61354 0.35242 0.00000
208 3S 1.03736 1.72643 2.99026 -2.20819 0.00000
209 4S 0.12253 2.32042 4.01909 -3.10917 0.00000
210 5S -0.25063 -0.07688 -0.13316 0.06695 0.00000
211 6PX -0.01343 -0.00585 0.04113 -0.02313 0.00053
212 6PY -0.00775 0.04789 -0.00585 -0.01335 -0.00092
213 6PZ 0.03388 0.01873 0.03244 -0.01245 0.00000
214 7PX 0.11078 0.02974 -0.33061 0.17573 -0.01641
215 7PY 0.06396 -0.36495 0.02974 0.10146 0.02842
216 7PZ -0.25126 -0.14884 -0.25780 0.09797 0.00000
217 8PX -0.18920 0.73777 1.79550 -0.85662 0.24630
218 8PY -0.10923 0.94360 0.73777 -0.49457 -0.42661
219 8PZ 0.46075 0.70044 1.21319 -0.59649 0.00000
220 9PX -0.29422 1.32341 1.87424 -1.31836 0.41722
221 9PY -0.16987 0.34610 1.32341 -0.76115 -0.72265
222 9PZ -0.26961 0.90796 1.57263 -0.90787 0.00000
223 10D 0 0.02957 -0.00432 -0.00748 0.04084 0.00000
224 10D+1 -0.03600 0.05961 0.02197 -0.07126 -0.01138
225 10D-1 -0.02078 -0.04686 0.05961 -0.04114 0.01971
226 10D+2 0.01473 -0.00308 0.01068 0.00194 0.05493
227 10D-2 0.02551 0.01068 0.00925 0.00336 -0.03172
228 11D 0 -0.21611 0.03836 0.06645 -0.26589 0.00000
229 11D+1 0.27510 -0.42345 -0.19848 0.49584 0.06252
230 11D-1 0.15883 0.29048 -0.42345 0.28627 -0.10829
231 11D+2 -0.07462 -0.00434 -0.09129 -0.00240 -0.41436
232 11D-2 -0.12925 -0.09129 -0.10975 -0.00416 0.23923
233 12D 0 0.35446 -0.18254 -0.31616 0.35030 0.00000
234 12D+1 -0.73785 0.94233 1.08278 -0.79755 0.00536
235 12D-1 -0.42600 -0.00533 0.94233 -0.46047 -0.00928
236 12D+2 -0.24366 0.41369 0.42657 -0.05704 1.08733
237 12D-2 -0.42204 0.42657 0.90625 -0.09880 -0.62777
238 13F 0 -0.02484 -0.00119 -0.00206 0.00420 0.00000
239 13F+1 0.03043 0.00520 0.00757 -0.00971 0.02202
240 13F-1 0.01757 0.00157 0.00520 -0.00561 -0.03813
241 13F+2 0.02424 -0.03342 0.02093 -0.00470 0.00834
242 13F-2 0.04198 0.02093 -0.00924 -0.00813 -0.00482
243 13F+3 0.00000 -0.03016 0.01741 0.00000 -0.04311
244 13F-3 0.04098 -0.00211 -0.00365 -0.02622 0.00000
245 14F 0 0.28946 -0.07097 -0.12293 0.02976 0.00000
246 14F+1 -0.19139 -0.03735 -0.01903 0.06584 -0.22130
247 14F-1 -0.11050 0.02409 -0.03735 0.03801 0.38330
248 14F+2 -0.25354 0.32747 -0.09300 0.00424 -0.03449
249 14F-2 -0.43915 -0.09300 0.22008 0.00734 0.01991
250 14F+3 0.00000 0.23480 -0.13556 0.00000 0.57060
251 14F-3 -0.42737 0.07317 0.12674 0.24520 0.00000
252 15G 0 -0.00521 -0.00799 -0.01384 0.00753 0.00000
253 15G+1 0.01017 -0.00694 -0.01077 0.00544 -0.00080
254 15G-1 0.00587 -0.00276 -0.00694 0.00314 0.00139
255 15G+2 0.00015 -0.00109 0.00584 -0.00446 0.00524
256 15G-2 0.00026 0.00584 0.00565 -0.00772 -0.00302
257 15G+3 0.00000 -0.00343 0.00198 0.00000 0.01217
258 15G-3 -0.00472 0.00708 0.01226 -0.00922 0.00000
259 15G+4 -0.00108 -0.00329 -0.00112 0.00187 0.00850
260 15G-4 0.00187 0.00112 0.00458 -0.00323 0.00491
151 152 153 154 155
(E)--V (E)--V (A1)--V (E)--V (E)--V
Eigenvalues -- 5.58357 5.58357 5.68301 5.78019 5.78019
1 1 P 1S 0.00000 0.00000 -0.08378 0.00000 0.00000
2 2S 0.00000 0.00000 -0.01524 0.00000 0.00000
3 3S 0.00000 0.00000 -1.25457 0.00000 0.00000
4 4S 0.00000 0.00000 -3.79366 0.00000 0.00000
5 5S 0.00000 0.00000 3.85646 0.00000 0.00000
6 6S 0.00000 0.00000 8.17174 0.00000 0.00000
7 7S 0.00000 0.00000 3.12922 0.00000 0.00000
8 8PX 0.00000 0.01003 0.00000 0.00000 -0.00870
9 8PY 0.01003 0.00000 0.00000 -0.00870 0.00000
10 8PZ 0.00000 0.00000 -0.00628 0.00000 0.00000
11 9PX 0.00000 -0.01271 0.00000 0.00000 0.04666
12 9PY -0.01271 0.00000 0.00000 0.04666 0.00000
13 9PZ 0.00000 0.00000 0.13093 0.00000 0.00000
14 10PX 0.00000 0.13209 0.00000 0.00000 0.20480
15 10PY 0.13209 0.00000 0.00000 0.20480 0.00000
16 10PZ 0.00000 0.00000 1.08845 0.00000 0.00000
17 11PX 0.00000 -1.22862 0.00000 0.00000 -0.09106
18 11PY -1.22862 0.00000 0.00000 -0.09106 0.00000
19 11PZ 0.00000 0.00000 -4.17886 0.00000 0.00000
20 12PX 0.00000 -1.49582 0.00000 0.00000 -0.40631
21 12PY -1.49582 0.00000 0.00000 -0.40631 0.00000
22 12PZ 0.00000 0.00000 -4.13338 0.00000 0.00000
23 13PX 0.00000 0.04461 0.00000 0.00000 0.30541
24 13PY 0.04461 0.00000 0.00000 0.30541 0.00000
25 13PZ 0.00000 0.00000 -0.69640 0.00000 0.00000
26 14D 0 0.00000 0.00000 0.82768 0.00000 0.00000
27 14D+1 0.00000 0.77042 0.00000 0.00000 -0.63493
28 14D-1 0.77042 0.00000 0.00000 -0.63493 0.00000
29 14D+2 -0.74431 0.00000 0.00000 0.08168 0.00000
30 14D-2 0.00000 -0.74431 0.00000 0.00000 0.08168
31 15D 0 0.00000 0.00000 1.14717 0.00000 0.00000
32 15D+1 0.00000 1.13409 0.00000 0.00000 -0.14653
33 15D-1 1.13409 0.00000 0.00000 -0.14653 0.00000
34 15D+2 -0.68021 0.00000 0.00000 0.43332 0.00000
35 15D-2 0.00000 -0.68021 0.00000 0.00000 0.43332
36 16D 0 0.00000 0.00000 -0.20224 0.00000 0.00000
37 16D+1 0.00000 0.13459 0.00000 0.00000 0.02111
38 16D-1 0.13459 0.00000 0.00000 0.02111 0.00000
39 16D+2 0.20068 0.00000 0.00000 -0.06313 0.00000
40 16D-2 0.00000 0.20068 0.00000 0.00000 -0.06313
41 17D 0 0.00000 0.00000 0.07029 0.00000 0.00000
42 17D+1 0.00000 0.02330 0.00000 0.00000 0.08515
43 17D-1 0.02330 0.00000 0.00000 0.08515 0.00000
44 17D+2 0.02592 0.00000 0.00000 0.02182 0.00000
45 17D-2 0.00000 0.02592 0.00000 0.00000 0.02182
46 18F 0 0.00000 0.00000 -0.45104 0.00000 0.00000
47 18F+1 0.00000 -0.51153 0.00000 0.00000 0.71622
48 18F-1 -0.51153 0.00000 0.00000 0.71622 0.00000
49 18F+2 0.53382 0.00000 0.00000 0.13504 0.00000
50 18F-2 0.00000 0.53382 0.00000 0.00000 0.13504
51 18F+3 0.00000 0.00000 0.00000 0.00000 0.00000
52 18F-3 0.00000 0.00000 -0.20904 0.00000 0.00000
53 19F 0 0.00000 0.00000 0.11406 0.00000 0.00000
54 19F+1 0.00000 0.23499 0.00000 0.00000 0.70839
55 19F-1 0.23499 0.00000 0.00000 0.70839 0.00000
56 19F+2 -0.44648 0.00000 0.00000 0.63789 0.00000
57 19F-2 0.00000 -0.44648 0.00000 0.00000 0.63789
58 19F+3 0.00000 0.00000 0.00000 0.00000 0.00000
59 19F-3 0.00000 0.00000 -1.10608 0.00000 0.00000
60 20F 0 0.00000 0.00000 0.02135 0.00000 0.00000
61 20F+1 0.00000 -0.51856 0.00000 0.00000 -0.45918
62 20F-1 -0.51856 0.00000 0.00000 -0.45918 0.00000
63 20F+2 0.15041 0.00000 0.00000 -0.51430 0.00000
64 20F-2 0.00000 0.15041 0.00000 0.00000 -0.51430
65 20F+3 0.00000 0.00000 0.00000 0.00000 0.00000
66 20F-3 0.00000 0.00000 0.35311 0.00000 0.00000
67 21G 0 0.00000 0.00000 0.50442 0.00000 0.00000
68 21G+1 0.00000 -0.00605 0.00000 0.00000 -0.80519
69 21G-1 -0.00605 0.00000 0.00000 -0.80519 0.00000
70 21G+2 0.22648 0.00000 0.00000 -1.08711 0.00000
71 21G-2 0.00000 0.22648 0.00000 0.00000 -1.08711
72 21G+3 0.00000 0.00000 0.00000 0.00000 0.00000
73 21G-3 0.00000 0.00000 0.90474 0.00000 0.00000
74 21G+4 -0.47291 0.00000 0.00000 -0.88200 0.00000
75 21G-4 0.00000 0.47291 0.00000 0.00000 0.88200
76 22G 0 0.00000 0.00000 -0.58785 0.00000 0.00000
77 22G+1 0.00000 -0.11180 0.00000 0.00000 0.67873
78 22G-1 -0.11180 0.00000 0.00000 0.67873 0.00000
79 22G+2 0.51564 0.00000 0.00000 0.48646 0.00000
80 22G-2 0.00000 0.51564 0.00000 0.00000 0.48646
81 22G+3 0.00000 0.00000 0.00000 0.00000 0.00000
82 22G-3 0.00000 0.00000 -0.15987 0.00000 0.00000
83 22G+4 -0.08234 0.00000 0.00000 0.31206 0.00000
84 22G-4 0.00000 0.08234 0.00000 0.00000 -0.31206
85 23H 0 0.00000 0.00000 -0.24261 0.00000 0.00000
86 23H+1 0.00000 -0.13215 0.00000 0.00000 -0.24130
87 23H-1 -0.13215 0.00000 0.00000 -0.24130 0.00000
88 23H+2 -0.38255 0.00000 0.00000 0.43758 0.00000
89 23H-2 0.00000 -0.38255 0.00000 0.00000 0.43758
90 23H+3 0.00000 0.00000 0.00000 0.00000 0.00000
91 23H-3 0.00000 0.00000 -0.48831 0.00000 0.00000
92 23H+4 0.22460 0.00000 0.00000 0.65767 0.00000
93 23H-4 0.00000 -0.22460 0.00000 0.00000 -0.65767
94 23H+5 0.00000 -0.00853 0.00000 0.00000 0.34158
95 23H-5 0.00853 0.00000 0.00000 -0.34158 0.00000
96 2 H 1S 0.00371 0.00000 -0.01014 -0.01041 0.00000
97 2S -0.04067 0.00000 0.21049 0.12749 0.00000
98 3S 0.24788 0.00000 -1.34822 -0.38984 0.00000
99 4S 1.95141 0.00000 -3.71158 0.08684 0.00000
100 5S -0.16364 0.00000 -0.26543 -0.19823 0.00000
101 6PX 0.00000 0.06289 0.00000 0.00000 0.02298
102 6PY -0.03117 0.00000 0.01084 0.04792 0.00000
103 6PZ -0.00366 0.00000 -0.02146 0.07224 0.00000
104 7PX 0.00000 -0.45033 0.00000 0.00000 -0.18863
105 7PY 0.24634 0.00000 -0.09565 -0.33424 0.00000
106 7PZ 0.01284 0.00000 0.18148 -0.57816 0.00000
107 8PX 0.00000 0.54808 0.00000 0.00000 0.73400
108 8PY -0.54135 0.00000 0.79708 0.78647 0.00000
109 8PZ 0.19295 0.00000 -0.68605 1.37158 0.00000
110 9PX 0.00000 0.84141 0.00000 0.00000 -0.31509
111 9PY -1.58996 0.00000 2.37368 0.09957 0.00000
112 9PZ -0.22540 0.00000 -0.47063 0.29902 0.00000
113 10D 0 -0.09726 0.00000 -0.00277 -0.04756 0.00000
114 10D+1 0.00000 0.02227 0.00000 0.00000 0.02106
115 10D-1 0.02552 0.00000 -0.00647 0.02232 0.00000
116 10D+2 -0.03712 0.00000 0.09377 0.02485 0.00000
117 10D-2 0.00000 -0.07688 0.00000 0.00000 0.08063
118 11D 0 0.70033 0.00000 -0.02082 0.28768 0.00000
119 11D+1 0.00000 -0.16681 0.00000 0.00000 -0.14476
120 11D-1 -0.16324 0.00000 0.01283 -0.15416 0.00000
121 11D+2 0.31946 0.00000 -0.69493 -0.18115 0.00000
122 11D-2 0.00000 0.57070 0.00000 0.00000 -0.54889
123 12D 0 -1.00669 0.00000 0.22214 0.33507 0.00000
124 12D+1 0.00000 0.80377 0.00000 0.00000 0.12328
125 12D-1 -0.03873 0.00000 0.45706 -0.01832 0.00000
126 12D+2 -1.00626 0.00000 1.71440 0.09128 0.00000
127 12D-2 0.00000 -0.55654 0.00000 0.00000 0.33414
128 13F 0 0.01291 0.00000 -0.01484 -0.02331 0.00000
129 13F+1 0.00000 -0.04620 0.00000 0.00000 0.01315
130 13F-1 -0.03672 0.00000 0.01950 -0.04551 0.00000
131 13F+2 0.01767 0.00000 -0.00286 0.00422 0.00000
132 13F-2 0.00000 0.05199 0.00000 0.00000 -0.03335
133 13F+3 0.00000 -0.02594 0.00000 0.00000 -0.01676
134 13F-3 -0.03982 0.00000 0.05993 -0.03902 0.00000
135 14F 0 -0.11364 0.00000 0.14721 0.27656 0.00000
136 14F+1 0.00000 0.45562 0.00000 0.00000 -0.12076
137 14F-1 0.38844 0.00000 -0.14632 0.25942 0.00000
138 14F+2 -0.19868 0.00000 0.12398 -0.10357 0.00000
139 14F-2 0.00000 -0.54223 0.00000 0.00000 0.21475
140 14F+3 0.00000 0.22290 0.00000 0.00000 0.12999
141 14F-3 0.40684 0.00000 -0.70812 0.27044 0.00000
142 15G 0 0.00209 0.00000 -0.00103 -0.01228 0.00000
143 15G+1 0.00000 0.00235 0.00000 0.00000 -0.00540
144 15G-1 -0.00325 0.00000 -0.00246 -0.00557 0.00000
145 15G+2 0.00035 0.00000 0.00789 -0.01411 0.00000
146 15G-2 0.00000 0.00984 0.00000 0.00000 -0.00323
147 15G+3 0.00000 0.00508 0.00000 0.00000 -0.01188
148 15G-3 0.00130 0.00000 -0.01384 -0.00324 0.00000
149 15G+4 0.00123 0.00000 -0.00082 -0.00115 0.00000
150 15G-4 0.00000 0.00644 0.00000 0.00000 0.00358
151 3 H 1S -0.00186 0.00321 -0.01014 0.00520 -0.00901
152 2S 0.02034 -0.03522 0.21049 -0.06374 0.11041
153 3S -0.12394 0.21467 -1.34822 0.19492 -0.33761
154 4S -0.97570 1.68997 -3.71158 -0.04342 0.07520
155 5S 0.08182 -0.14172 -0.26543 0.09912 -0.17167
156 6PX 0.04073 -0.00765 0.00939 -0.01080 0.04169
157 6PY 0.03937 0.04073 -0.00542 0.02921 -0.01080
158 6PZ 0.00183 -0.00317 -0.02146 -0.03612 0.06257
159 7PX -0.30167 0.07218 -0.08283 0.06305 -0.29784
160 7PY -0.27616 -0.30167 0.04782 -0.22503 0.06305
161 7PZ -0.00642 0.01112 0.18148 0.28908 -0.50070
162 8PX 0.47173 -0.26899 0.69029 -0.02272 0.77335
163 8PY 0.27572 0.47173 -0.39854 0.74712 -0.02272
164 8PZ -0.09647 0.16710 -0.68605 -0.68579 1.18782
165 9PX 1.05282 -0.98212 2.05567 -0.17955 -0.00410
166 9PY 0.23357 1.05282 -1.18684 -0.21142 -0.17955
167 9PZ 0.11270 -0.19520 -0.47063 -0.14951 0.25896
168 10D 0 0.04863 -0.08423 -0.00277 0.02378 -0.04119
169 10D+1 -0.00141 0.02470 -0.00560 -0.00054 0.02200
170 10D-1 0.02308 -0.00141 0.00323 0.02137 -0.00054
171 10D+2 -0.06694 -0.01722 -0.04689 0.06668 0.02415
172 10D-2 -0.01722 -0.04706 0.08121 0.02415 0.03880
173 11D 0 -0.35017 0.60651 -0.02082 -0.14384 0.24914
174 11D+1 -0.00155 -0.16413 0.01111 0.00407 -0.15181
175 11D-1 -0.16592 -0.00155 -0.00642 -0.14711 0.00407
176 11D+2 0.50789 0.10879 0.34747 -0.45696 -0.15924
177 11D-2 0.10879 0.38227 -0.60183 -0.15924 -0.27308
178 12D 0 0.50334 -0.87182 0.22214 -0.16753 0.29018
179 12D+1 0.36481 0.17190 0.39583 0.06131 0.01708
180 12D-1 0.59314 0.36481 -0.22853 0.08788 0.06131
181 12D+2 -0.66897 0.19473 -0.85720 0.27343 0.10516
182 12D-2 0.19473 -0.89383 1.48471 0.10516 0.15200
183 13F 0 -0.00646 0.01118 -0.01484 0.01165 -0.02019
184 13F+1 -0.00411 -0.03909 0.01689 0.02540 -0.03084
185 13F-1 -0.04383 -0.00411 -0.00975 -0.00151 0.02540
186 13F+2 0.04341 0.01486 0.00143 -0.02396 -0.01627
187 13F-2 0.01486 0.02625 -0.00248 -0.01627 -0.00517
188 13F+3 0.02246 0.01297 0.00000 0.01452 0.00838
189 13F-3 0.01991 -0.03449 0.05993 0.01951 -0.03379
190 14F 0 0.05682 -0.09841 0.14721 -0.13828 0.23951
191 14F+1 0.02909 0.40524 -0.12671 -0.16462 0.16437
192 14F-1 0.43883 0.02909 0.07316 -0.02571 -0.16462
193 14F+2 -0.45634 -0.14876 -0.06199 0.13517 0.13784
194 14F-2 -0.14876 -0.28457 0.10737 0.13784 -0.02399
195 14F+3 -0.19303 -0.11145 0.00000 -0.11258 -0.06500
196 14F-3 -0.20342 0.35234 -0.70812 -0.13522 0.23421
197 15G 0 -0.00105 0.00181 -0.00103 0.00614 -0.01063
198 15G+1 0.00242 -0.00185 -0.00213 0.00007 -0.00553
199 15G-1 0.00095 0.00242 0.00123 -0.00545 0.00007
200 15G+2 0.00746 0.00411 -0.00394 -0.00595 0.00471
201 15G-2 0.00411 0.00272 0.00683 0.00471 -0.01139
202 15G+3 -0.00440 -0.00254 0.00000 0.01029 0.00594
203 15G-3 -0.00065 0.00113 -0.01384 0.00162 -0.00281
204 15G+4 -0.00452 -0.00332 0.00041 -0.00297 -0.00105
205 15G-4 0.00332 0.00069 0.00071 0.00105 0.00175
206 4 H 1S -0.00186 -0.00321 -0.01014 0.00520 0.00901
207 2S 0.02034 0.03522 0.21049 -0.06374 -0.11041
208 3S -0.12394 -0.21467 -1.34822 0.19492 0.33761
209 4S -0.97570 -1.68997 -3.71158 -0.04342 -0.07520
210 5S 0.08182 0.14172 -0.26543 0.09912 0.17167
211 6PX -0.04073 -0.00765 -0.00939 0.01080 0.04169
212 6PY 0.03937 -0.04073 -0.00542 0.02921 0.01080
213 6PZ 0.00183 0.00317 -0.02146 -0.03612 -0.06257
214 7PX 0.30167 0.07218 0.08283 -0.06305 -0.29784
215 7PY -0.27616 0.30167 0.04782 -0.22503 -0.06305
216 7PZ -0.00642 -0.01112 0.18148 0.28908 0.50070
217 8PX -0.47173 -0.26899 -0.69029 0.02272 0.77335
218 8PY 0.27572 -0.47173 -0.39854 0.74712 0.02272
219 8PZ -0.09647 -0.16710 -0.68605 -0.68579 -1.18782
220 9PX -1.05282 -0.98212 -2.05567 0.17955 -0.00410
221 9PY 0.23357 -1.05282 -1.18684 -0.21142 0.17955
222 9PZ 0.11270 0.19520 -0.47063 -0.14951 -0.25896
223 10D 0 0.04863 0.08423 -0.00277 0.02378 0.04119
224 10D+1 0.00141 0.02470 0.00560 0.00054 0.02200
225 10D-1 0.02308 0.00141 0.00323 0.02137 0.00054
226 10D+2 -0.06694 0.01722 -0.04689 0.06668 -0.02415
227 10D-2 0.01722 -0.04706 -0.08121 -0.02415 0.03880
228 11D 0 -0.35017 -0.60651 -0.02082 -0.14384 -0.24914
229 11D+1 0.00155 -0.16413 -0.01111 -0.00407 -0.15181
230 11D-1 -0.16592 0.00155 -0.00642 -0.14711 -0.00407
231 11D+2 0.50789 -0.10879 0.34747 -0.45696 0.15924
232 11D-2 -0.10879 0.38227 0.60183 0.15924 -0.27308
233 12D 0 0.50334 0.87182 0.22214 -0.16753 -0.29018
234 12D+1 -0.36481 0.17190 -0.39583 -0.06131 0.01708
235 12D-1 0.59314 -0.36481 -0.22853 0.08788 -0.06131
236 12D+2 -0.66897 -0.19473 -0.85720 0.27343 -0.10516
237 12D-2 -0.19473 -0.89383 -1.48471 -0.10516 0.15200
238 13F 0 -0.00646 -0.01118 -0.01484 0.01165 0.02019
239 13F+1 0.00411 -0.03909 -0.01689 -0.02540 -0.03084
240 13F-1 -0.04383 0.00411 -0.00975 -0.00151 -0.02540
241 13F+2 0.04341 -0.01486 0.00143 -0.02396 0.01627
242 13F-2 -0.01486 0.02625 0.00248 0.01627 -0.00517
243 13F+3 -0.02246 0.01297 0.00000 -0.01452 0.00838
244 13F-3 0.01991 0.03449 0.05993 0.01951 0.03379
245 14F 0 0.05682 0.09841 0.14721 -0.13828 -0.23951
246 14F+1 -0.02909 0.40524 0.12671 0.16462 0.16437
247 14F-1 0.43883 -0.02909 0.07316 -0.02571 0.16462
248 14F+2 -0.45634 0.14876 -0.06199 0.13517 -0.13784
249 14F-2 0.14876 -0.28457 -0.10737 -0.13784 -0.02399
250 14F+3 0.19303 -0.11145 0.00000 0.11258 -0.06500
251 14F-3 -0.20342 -0.35234 -0.70812 -0.13522 -0.23421
252 15G 0 -0.00105 -0.00181 -0.00103 0.00614 0.01063
253 15G+1 -0.00242 -0.00185 0.00213 -0.00007 -0.00553
254 15G-1 0.00095 -0.00242 0.00123 -0.00545 -0.00007
255 15G+2 0.00746 -0.00411 -0.00394 -0.00595 -0.00471
256 15G-2 -0.00411 0.00272 -0.00683 -0.00471 -0.01139
257 15G+3 0.00440 -0.00254 0.00000 -0.01029 0.00594
258 15G-3 -0.00065 -0.00113 -0.01384 0.00162 0.00281
259 15G+4 -0.00452 0.00332 0.00041 -0.00297 0.00105
260 15G-4 -0.00332 0.00069 -0.00071 -0.00105 0.00175
156 157 158 159 160
(E)--V (E)--V (A2)--V (A1)--V (E)--V
Eigenvalues -- 5.81240 5.81240 5.93494 6.11735 6.32487
1 1 P 1S 0.00000 0.00000 0.00000 -0.00597 0.00000
2 2S 0.00000 0.00000 0.00000 -0.01642 0.00000
3 3S 0.00000 0.00000 0.00000 -0.15825 0.00000
4 4S 0.00000 0.00000 0.00000 -0.87022 0.00000
5 5S 0.00000 0.00000 0.00000 1.04584 0.00000
6 6S 0.00000 0.00000 0.00000 3.06363 0.00000
7 7S 0.00000 0.00000 0.00000 1.48049 0.00000
8 8PX 0.00000 0.00212 0.00000 0.00000 0.00000
9 8PY 0.00212 0.00000 0.00000 0.00000 0.01073
10 8PZ 0.00000 0.00000 0.00000 -0.00127 0.00000
11 9PX 0.00000 -0.07432 0.00000 0.00000 0.00000
12 9PY -0.07432 0.00000 0.00000 0.00000 -0.03504
13 9PZ 0.00000 0.00000 0.00000 0.02855 0.00000
14 10PX 0.00000 -0.50078 0.00000 0.00000 0.00000
15 10PY -0.50078 0.00000 0.00000 0.00000 -0.01456
16 10PZ 0.00000 0.00000 0.00000 0.26837 0.00000
17 11PX 0.00000 1.51669 0.00000 0.00000 0.00000
18 11PY 1.51669 0.00000 0.00000 0.00000 -1.08564
19 11PZ 0.00000 0.00000 0.00000 -1.16036 0.00000
20 12PX 0.00000 0.89409 0.00000 0.00000 0.00000
21 12PY 0.89409 0.00000 0.00000 0.00000 -0.12613
22 12PZ 0.00000 0.00000 0.00000 -0.68332 0.00000
23 13PX 0.00000 -0.15867 0.00000 0.00000 0.00000
24 13PY -0.15867 0.00000 0.00000 0.00000 -0.08013
25 13PZ 0.00000 0.00000 0.00000 -0.32898 0.00000
26 14D 0 0.00000 0.00000 0.00000 -0.67571 0.00000
27 14D+1 0.00000 0.27152 0.00000 0.00000 0.00000
28 14D-1 0.27152 0.00000 0.00000 0.00000 -0.11059
29 14D+2 -0.33251 0.00000 0.00000 0.00000 0.84576
30 14D-2 0.00000 -0.33251 0.00000 0.00000 0.00000
31 15D 0 0.00000 0.00000 0.00000 -0.19019 0.00000
32 15D+1 0.00000 -1.19773 0.00000 0.00000 0.00000
33 15D-1 -1.19773 0.00000 0.00000 0.00000 0.76237
34 15D+2 -0.21124 0.00000 0.00000 0.00000 0.24240
35 15D-2 0.00000 -0.21124 0.00000 0.00000 0.00000
36 16D 0 0.00000 0.00000 0.00000 -0.17010 0.00000
37 16D+1 0.00000 0.09328 0.00000 0.00000 0.00000
38 16D-1 0.09328 0.00000 0.00000 0.00000 0.06723
39 16D+2 -0.11825 0.00000 0.00000 0.00000 0.29468
40 16D-2 0.00000 -0.11825 0.00000 0.00000 0.00000
41 17D 0 0.00000 0.00000 0.00000 0.05766 0.00000
42 17D+1 0.00000 -0.05981 0.00000 0.00000 0.00000
43 17D-1 -0.05981 0.00000 0.00000 0.00000 0.07280
44 17D+2 -0.01472 0.00000 0.00000 0.00000 -0.04311
45 17D-2 0.00000 -0.01472 0.00000 0.00000 0.00000
46 18F 0 0.00000 0.00000 0.00000 0.45800 0.00000
47 18F+1 0.00000 -0.49528 0.00000 0.00000 0.00000
48 18F-1 -0.49528 0.00000 0.00000 0.00000 0.14251
49 18F+2 0.10234 0.00000 0.00000 0.00000 -0.70928
50 18F-2 0.00000 0.10234 0.00000 0.00000 0.00000
51 18F+3 0.00000 0.00000 -0.95493 0.00000 0.00000
52 18F-3 0.00000 0.00000 0.00000 -0.52005 0.00000
53 19F 0 0.00000 0.00000 0.00000 0.23194 0.00000
54 19F+1 0.00000 -0.33293 0.00000 0.00000 0.00000
55 19F-1 -0.33293 0.00000 0.00000 0.00000 -0.38205
56 19F+2 0.26208 0.00000 0.00000 0.00000 -0.41303
57 19F-2 0.00000 0.26208 0.00000 0.00000 0.00000
58 19F+3 0.00000 0.00000 -1.40500 0.00000 0.00000
59 19F-3 0.00000 0.00000 0.00000 0.10540 0.00000
60 20F 0 0.00000 0.00000 0.00000 0.06559 0.00000
61 20F+1 0.00000 0.42613 0.00000 0.00000 0.00000
62 20F-1 0.42613 0.00000 0.00000 0.00000 -0.07030
63 20F+2 0.14239 0.00000 0.00000 0.00000 -0.03162
64 20F-2 0.00000 0.14239 0.00000 0.00000 0.00000
65 20F+3 0.00000 0.00000 0.79810 0.00000 0.00000
66 20F-3 0.00000 0.00000 0.00000 -0.21342 0.00000
67 21G 0 0.00000 0.00000 0.00000 -0.30739 0.00000
68 21G+1 0.00000 1.13767 0.00000 0.00000 0.00000
69 21G-1 1.13767 0.00000 0.00000 0.00000 -0.08407
70 21G+2 0.06723 0.00000 0.00000 0.00000 0.96777
71 21G-2 0.00000 0.06723 0.00000 0.00000 0.00000
72 21G+3 0.00000 0.00000 1.98355 0.00000 0.00000
73 21G-3 0.00000 0.00000 0.00000 0.43980 0.00000
74 21G+4 0.00963 0.00000 0.00000 0.00000 -0.27051
75 21G-4 0.00000 -0.00963 0.00000 0.00000 0.00000
76 22G 0 0.00000 0.00000 0.00000 -0.22809 0.00000
77 22G+1 0.00000 -0.17489 0.00000 0.00000 0.00000
78 22G-1 -0.17489 0.00000 0.00000 0.00000 0.11321
79 22G+2 -0.31460 0.00000 0.00000 0.00000 -0.25908
80 22G-2 0.00000 -0.31460 0.00000 0.00000 0.00000
81 22G+3 0.00000 0.00000 -1.05098 0.00000 0.00000
82 22G-3 0.00000 0.00000 0.00000 -0.25576 0.00000
83 22G+4 -0.21007 0.00000 0.00000 0.00000 -0.24260
84 22G-4 0.00000 0.21007 0.00000 0.00000 0.00000
85 23H 0 0.00000 0.00000 0.00000 0.59590 0.00000
86 23H+1 0.00000 -0.97997 0.00000 0.00000 0.00000
87 23H-1 -0.97997 0.00000 0.00000 0.00000 0.07387
88 23H+2 -0.34833 0.00000 0.00000 0.00000 -0.48850
89 23H-2 0.00000 -0.34833 0.00000 0.00000 0.00000
90 23H+3 0.00000 0.00000 -0.68294 0.00000 0.00000
91 23H-3 0.00000 0.00000 0.00000 -0.62987 0.00000
92 23H+4 0.08915 0.00000 0.00000 0.00000 0.68323
93 23H-4 0.00000 -0.08915 0.00000 0.00000 0.00000
94 23H+5 0.00000 0.52900 0.00000 0.00000 0.00000
95 23H-5 -0.52900 0.00000 0.00000 0.00000 0.41028
96 2 H 1S 0.00166 0.00000 0.00000 0.00787 -0.01751
97 2S -0.00646 0.00000 0.00000 -0.04085 0.05498
98 3S -0.70140 0.00000 0.00000 -0.66266 0.69539
99 4S -1.29384 0.00000 0.00000 -1.39530 1.83084
100 5S 0.16039 0.00000 0.00000 -0.11909 -0.13321
101 6PX 0.00000 -0.00967 -0.07087 0.00000 0.00000
102 6PY -0.00272 0.00000 0.00000 -0.03512 -0.06614
103 6PZ -0.03016 0.00000 0.00000 -0.08527 -0.01194
104 7PX 0.00000 0.08606 0.55227 0.00000 0.00000
105 7PY -0.02202 0.00000 0.00000 0.22625 0.59241
106 7PZ 0.25568 0.00000 0.00000 0.66967 0.08586
107 8PX 0.00000 -0.31320 -1.47594 0.00000 0.00000
108 8PY 0.32294 0.00000 0.00000 0.28747 -1.12749
109 8PZ -0.94297 0.00000 0.00000 -0.55161 -0.09888
110 9PX 0.00000 0.30524 -0.23380 0.00000 0.00000
111 9PY 0.69357 0.00000 0.00000 0.38751 -0.98302
112 9PZ -0.53051 0.00000 0.00000 -0.68392 0.38628
113 10D 0 -0.01378 0.00000 0.00000 -0.08551 -0.02218
114 10D+1 0.00000 -0.01175 -0.04983 0.00000 0.00000
115 10D-1 -0.05427 0.00000 0.00000 0.05708 -0.01895
116 10D+2 0.04889 0.00000 0.00000 -0.04596 -0.02184
117 10D-2 0.00000 -0.04848 -0.07338 0.00000 0.00000
118 11D 0 0.06987 0.00000 0.00000 0.58151 0.19641
119 11D+1 0.00000 0.08392 0.34350 0.00000 0.00000
120 11D-1 0.35242 0.00000 0.00000 -0.38362 0.11890
121 11D+2 -0.32783 0.00000 0.00000 0.30615 0.18302
122 11D-2 0.00000 0.32518 0.48764 0.00000 0.00000
123 12D 0 0.44755 0.00000 0.00000 -0.34872 -0.57029
124 12D+1 0.00000 -0.34042 -0.57663 0.00000 0.00000
125 12D-1 0.55925 0.00000 0.00000 0.69191 -0.38724
126 12D+2 0.13221 0.00000 0.00000 -0.00192 -0.92280
127 12D-2 0.00000 -0.32220 -0.06437 0.00000 0.00000
128 13F 0 -0.07695 0.00000 0.00000 -0.00986 0.00398
129 13F+1 0.00000 -0.00213 -0.01225 0.00000 0.00000
130 13F-1 0.03429 0.00000 0.00000 -0.01048 0.00578
131 13F+2 -0.01181 0.00000 0.00000 -0.01706 0.01758
132 13F-2 0.00000 -0.01087 0.02978 0.00000 0.00000
133 13F+3 0.00000 0.02413 0.03433 0.00000 0.00000
134 13F-3 -0.03586 0.00000 0.00000 -0.00423 -0.02942
135 14F 0 0.78998 0.00000 0.00000 0.11765 -0.13650
136 14F+1 0.00000 0.01440 0.02874 0.00000 0.00000
137 14F-1 -0.28171 0.00000 0.00000 0.09803 0.11169
138 14F+2 0.18684 0.00000 0.00000 0.26444 -0.26480
139 14F-2 0.00000 0.21799 -0.09351 0.00000 0.00000
140 14F+3 0.00000 -0.22719 -0.27176 0.00000 0.00000
141 14F-3 0.34512 0.00000 0.00000 0.00858 0.35745
142 15G 0 0.00251 0.00000 0.00000 -0.00625 0.00315
143 15G+1 0.00000 0.00002 -0.00216 0.00000 0.00000
144 15G-1 0.00236 0.00000 0.00000 -0.01238 0.00981
145 15G+2 0.00667 0.00000 0.00000 -0.01065 0.00435
146 15G-2 0.00000 0.00915 0.00054 0.00000 0.00000
147 15G+3 0.00000 -0.00292 0.01221 0.00000 0.00000
148 15G-3 -0.00233 0.00000 0.00000 0.00198 -0.00892
149 15G+4 -0.00292 0.00000 0.00000 -0.01745 -0.00238
150 15G-4 0.00000 -0.01505 -0.01222 0.00000 0.00000
151 3 H 1S -0.00083 0.00143 0.00000 0.00787 0.00876
152 2S 0.00323 -0.00560 0.00000 -0.04085 -0.02749
153 3S 0.35070 -0.60743 0.00000 -0.66266 -0.34770
154 4S 0.64692 -1.12050 0.00000 -1.39530 -0.91542
155 5S -0.08020 0.13890 0.00000 -0.11909 0.06660
156 6PX -0.00301 -0.00446 0.03543 -0.03041 -0.01906
157 6PY -0.00793 -0.00301 0.06137 0.01756 -0.09916
158 6PZ 0.01508 -0.02612 0.00000 -0.08527 0.00597
159 7PX 0.04680 0.00500 -0.27613 0.19594 0.12008
160 7PY 0.05904 0.04680 -0.47828 -0.11313 0.80040
161 7PZ -0.12784 0.22143 0.00000 0.66967 -0.04293
162 8PX -0.27546 0.16391 0.73797 0.24895 0.26836
163 8PY -0.15416 -0.27546 1.27820 -0.14373 -0.66267
164 8PZ 0.47148 -0.81663 0.00000 -0.55161 0.04944
165 9PX -0.16815 0.59649 0.11690 0.33559 0.08217
166 9PY 0.40232 -0.16815 0.20247 -0.19375 -0.84069
167 9PZ 0.26525 -0.45943 0.00000 -0.68392 -0.19314
168 10D 0 0.00689 -0.01193 0.00000 -0.08551 0.01109
169 10D+1 0.01841 -0.04364 0.02492 0.04944 -0.02905
170 10D-1 -0.02238 0.01841 0.04316 -0.02854 -0.06927
171 10D+2 -0.02414 -0.04216 0.06355 0.02298 0.07859
172 10D-2 -0.04216 0.02454 0.03669 -0.03981 0.05798
173 11D 0 -0.03493 0.06051 0.00000 0.58151 -0.09821
174 11D+1 -0.11627 0.28530 -0.17175 -0.33223 0.20291
175 11D-1 0.15105 -0.11627 -0.29748 0.19181 0.47035
176 11D+2 0.16192 0.28276 -0.42231 -0.15308 -0.52900
177 11D-2 0.28276 -0.16458 -0.24382 0.26513 -0.41109
178 12D 0 -0.22378 0.38759 0.00000 -0.34872 0.28515
179 12D+1 -0.38957 0.33433 0.28831 0.59921 0.16236
180 12D-1 -0.11550 -0.38957 0.49937 -0.34595 -0.10602
181 12D+2 -0.20860 -0.19676 0.05574 0.00096 0.55126
182 12D-2 -0.19676 0.01861 0.03218 -0.00166 0.85104
183 13F 0 0.03847 -0.06664 0.00000 -0.00986 -0.00199
184 13F+1 -0.01577 0.02518 0.00613 -0.00907 -0.01573
185 13F-1 0.00698 -0.01577 0.01061 0.00524 -0.02146
186 13F+2 -0.01110 0.00041 -0.02579 0.00853 0.01663
187 13F-2 0.00041 -0.01157 -0.01489 -0.01477 -0.00055
188 13F+3 -0.02089 -0.01206 0.03433 0.00000 0.02270
189 13F-3 0.01793 -0.03106 0.00000 -0.00423 0.01471
190 14F 0 -0.39499 0.68414 0.00000 0.11765 0.06825
191 14F+1 0.12822 -0.20768 -0.01437 0.08489 0.11228
192 14F-1 -0.05963 0.12822 -0.02489 -0.04901 0.30618
193 14F+2 0.21020 0.01349 0.08098 -0.13222 -0.16358
194 14F-2 0.01349 0.19463 0.04675 0.22901 0.05844
195 14F+3 0.19675 0.11359 -0.27176 0.00000 -0.27101
196 14F-3 -0.17256 0.29889 0.00000 0.00858 -0.17873
197 15G 0 -0.00125 0.00217 0.00000 -0.00625 -0.00158
198 15G+1 -0.00101 0.00178 0.00108 -0.01072 -0.00648
199 15G-1 0.00061 -0.00101 0.00187 0.00619 -0.00142
200 15G+2 0.00853 0.00107 -0.00047 0.00532 -0.00278
201 15G-2 0.00107 0.00729 -0.00027 -0.00922 -0.00412
202 15G+3 0.00253 0.00146 0.01221 0.00000 0.01512
203 15G-3 0.00117 -0.00202 0.00000 0.00198 0.00446
204 15G+4 0.01056 0.00778 -0.01058 0.00872 -0.00972
205 15G-4 -0.00778 -0.00157 0.00611 0.01511 0.00424
206 4 H 1S -0.00083 -0.00143 0.00000 0.00787 0.00876
207 2S 0.00323 0.00560 0.00000 -0.04085 -0.02749
208 3S 0.35070 0.60743 0.00000 -0.66266 -0.34770
209 4S 0.64692 1.12050 0.00000 -1.39530 -0.91542
210 5S -0.08020 -0.13890 0.00000 -0.11909 0.06660
211 6PX 0.00301 -0.00446 0.03543 0.03041 0.01906
212 6PY -0.00793 0.00301 -0.06137 0.01756 -0.09916
213 6PZ 0.01508 0.02612 0.00000 -0.08527 0.00597
214 7PX -0.04680 0.00500 -0.27613 -0.19594 -0.12008
215 7PY 0.05904 -0.04680 0.47828 -0.11313 0.80040
216 7PZ -0.12784 -0.22143 0.00000 0.66967 -0.04293
217 8PX 0.27546 0.16391 0.73797 -0.24895 -0.26836
218 8PY -0.15416 0.27546 -1.27820 -0.14373 -0.66267
219 8PZ 0.47148 0.81663 0.00000 -0.55161 0.04944
220 9PX 0.16815 0.59649 0.11690 -0.33559 -0.08217
221 9PY 0.40232 0.16815 -0.20247 -0.19375 -0.84069
222 9PZ 0.26525 0.45943 0.00000 -0.68392 -0.19314
223 10D 0 0.00689 0.01193 0.00000 -0.08551 0.01109
224 10D+1 -0.01841 -0.04364 0.02492 -0.04944 0.02905
225 10D-1 -0.02238 -0.01841 -0.04316 -0.02854 -0.06927
226 10D+2 -0.02414 0.04216 -0.06355 0.02298 0.07859
227 10D-2 0.04216 0.02454 0.03669 0.03981 -0.05798
228 11D 0 -0.03493 -0.06051 0.00000 0.58151 -0.09821
229 11D+1 0.11627 0.28530 -0.17175 0.33223 -0.20291
230 11D-1 0.15105 0.11627 0.29748 0.19181 0.47035
231 11D+2 0.16192 -0.28276 0.42231 -0.15308 -0.52900
232 11D-2 -0.28276 -0.16458 -0.24382 -0.26513 0.41109
233 12D 0 -0.22378 -0.38759 0.00000 -0.34872 0.28515
234 12D+1 0.38957 0.33433 0.28831 -0.59921 -0.16236
235 12D-1 -0.11550 0.38957 -0.49937 -0.34595 -0.10602
236 12D+2 -0.20860 0.19676 -0.05574 0.00096 0.55126
237 12D-2 0.19676 0.01861 0.03218 0.00166 -0.85104
238 13F 0 0.03847 0.06664 0.00000 -0.00986 -0.00199
239 13F+1 0.01577 0.02518 0.00613 0.00907 0.01573
240 13F-1 0.00698 0.01577 -0.01061 0.00524 -0.02146
241 13F+2 -0.01110 -0.00041 0.02579 0.00853 0.01663
242 13F-2 -0.00041 -0.01157 -0.01489 0.01477 0.00055
243 13F+3 0.02089 -0.01206 0.03433 0.00000 -0.02270
244 13F-3 0.01793 0.03106 0.00000 -0.00423 0.01471
245 14F 0 -0.39499 -0.68414 0.00000 0.11765 0.06825
246 14F+1 -0.12822 -0.20768 -0.01437 -0.08489 -0.11228
247 14F-1 -0.05963 -0.12822 0.02489 -0.04901 0.30618
248 14F+2 0.21020 -0.01349 -0.08098 -0.13222 -0.16358
249 14F-2 -0.01349 0.19463 0.04675 -0.22901 -0.05844
250 14F+3 -0.19675 0.11359 -0.27176 0.00000 0.27101
251 14F-3 -0.17256 -0.29889 0.00000 0.00858 -0.17873
252 15G 0 -0.00125 -0.00217 0.00000 -0.00625 -0.00158
253 15G+1 0.00101 0.00178 0.00108 0.01072 0.00648
254 15G-1 0.00061 0.00101 -0.00187 0.00619 -0.00142
255 15G+2 0.00853 -0.00107 0.00047 0.00532 -0.00278
256 15G-2 -0.00107 0.00729 -0.00027 0.00922 0.00412
257 15G+3 -0.00253 0.00146 0.01221 0.00000 -0.01512
258 15G-3 0.00117 0.00202 0.00000 0.00198 0.00446
259 15G+4 0.01056 -0.00778 0.01058 0.00872 -0.00972
260 15G-4 0.00778 -0.00157 0.00611 -0.01511 -0.00424
161 162 163 164 165
(E)--V (A2)--V (E)--V (E)--V (E)--V
Eigenvalues -- 6.32487 6.46567 6.46969 6.46969 7.04385
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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 0.01073 0.00000 0.00000 0.00193 -0.03838
9 8PY 0.00000 0.00000 0.00193 0.00000 0.00000
10 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
11 9PX -0.03504 0.00000 0.00000 -0.10716 0.19255
12 9PY 0.00000 0.00000 -0.10716 0.00000 0.00000
13 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
14 10PX -0.01456 0.00000 0.00000 -0.75487 0.98832
15 10PY 0.00000 0.00000 -0.75487 0.00000 0.00000
16 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000
17 11PX -1.08564 0.00000 0.00000 1.90676 -0.65716
18 11PY 0.00000 0.00000 1.90676 0.00000 0.00000
19 11PZ 0.00000 0.00000 0.00000 0.00000 0.00000
20 12PX -0.12613 0.00000 0.00000 2.65775 -1.91567
21 12PY 0.00000 0.00000 2.65775 0.00000 0.00000
22 12PZ 0.00000 0.00000 0.00000 0.00000 0.00000
23 13PX -0.08013 0.00000 0.00000 -0.05869 -0.25353
24 13PY 0.00000 0.00000 -0.05869 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 -0.11059 0.00000 0.00000 -0.32386 1.02328
28 14D-1 0.00000 0.00000 -0.32386 0.00000 0.00000
29 14D+2 0.00000 0.00000 -1.03250 0.00000 0.00000
30 14D-2 0.84576 0.00000 0.00000 -1.03250 1.00486
31 15D 0 0.00000 0.00000 0.00000 0.00000 0.00000
32 15D+1 0.76237 0.00000 0.00000 -0.92516 1.99816
33 15D-1 0.00000 0.00000 -0.92516 0.00000 0.00000
34 15D+2 0.00000 0.00000 -0.19488 0.00000 0.00000
35 15D-2 0.24240 0.00000 0.00000 -0.19488 2.52057
36 16D 0 0.00000 0.00000 0.00000 0.00000 0.00000
37 16D+1 0.06723 0.00000 0.00000 0.15892 -0.62608
38 16D-1 0.00000 0.00000 0.15892 0.00000 0.00000
39 16D+2 0.00000 0.00000 -0.12855 0.00000 0.00000
40 16D-2 0.29468 0.00000 0.00000 -0.12855 -0.57082
41 17D 0 0.00000 0.00000 0.00000 0.00000 0.00000
42 17D+1 0.07280 0.00000 0.00000 -0.10901 -0.04075
43 17D-1 0.00000 0.00000 -0.10901 0.00000 0.00000
44 17D+2 0.00000 0.00000 0.01632 0.00000 0.00000
45 17D-2 -0.04311 0.00000 0.00000 0.01632 -0.13110
46 18F 0 0.00000 0.00000 0.00000 0.00000 0.00000
47 18F+1 0.14251 0.00000 0.00000 -0.54113 -0.21796
48 18F-1 0.00000 0.00000 -0.54113 0.00000 0.00000
49 18F+2 0.00000 0.00000 0.51012 0.00000 0.00000
50 18F-2 -0.70928 0.00000 0.00000 0.51012 -0.60327
51 18F+3 0.00000 -0.52201 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 -0.38205 0.00000 0.00000 -0.43986 -1.06286
55 19F-1 0.00000 0.00000 -0.43986 0.00000 0.00000
56 19F+2 0.00000 0.00000 0.11544 0.00000 0.00000
57 19F-2 -0.41303 0.00000 0.00000 0.11544 -2.58275
58 19F+3 0.00000 -0.91862 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 -0.07030 0.00000 0.00000 0.07515 0.02575
62 20F-1 0.00000 0.00000 0.07515 0.00000 0.00000
63 20F+2 0.00000 0.00000 -0.04680 0.00000 0.00000
64 20F-2 -0.03162 0.00000 0.00000 -0.04680 0.18313
65 20F+3 0.00000 -0.03210 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 -0.08407 0.00000 0.00000 0.63713 -0.02815
69 21G-1 0.00000 0.00000 0.63713 0.00000 0.00000
70 21G+2 0.00000 0.00000 -0.49757 0.00000 0.00000
71 21G-2 0.96777 0.00000 0.00000 -0.49757 1.00317
72 21G+3 0.00000 0.47125 0.00000 0.00000 0.00000
73 21G-3 0.00000 0.00000 0.00000 0.00000 0.00000
74 21G+4 0.00000 0.00000 0.57996 0.00000 0.00000
75 21G-4 0.27051 0.00000 0.00000 -0.57996 0.00735
76 22G 0 0.00000 0.00000 0.00000 0.00000 0.00000
77 22G+1 0.11321 0.00000 0.00000 -0.21082 -0.01483
78 22G-1 0.00000 0.00000 -0.21082 0.00000 0.00000
79 22G+2 0.00000 0.00000 -0.09756 0.00000 0.00000
80 22G-2 -0.25908 0.00000 0.00000 -0.09756 0.64512
81 22G+3 0.00000 -0.16488 0.00000 0.00000 0.00000
82 22G-3 0.00000 0.00000 0.00000 0.00000 0.00000
83 22G+4 0.00000 0.00000 0.14443 0.00000 0.00000
84 22G-4 0.24260 0.00000 0.00000 -0.14443 0.01073
85 23H 0 0.00000 0.00000 0.00000 0.00000 0.00000
86 23H+1 0.07387 0.00000 0.00000 -0.11652 0.40525
87 23H-1 0.00000 0.00000 -0.11652 0.00000 0.00000
88 23H+2 0.00000 0.00000 0.79747 0.00000 0.00000
89 23H-2 -0.48850 0.00000 0.00000 0.79747 -0.30395
90 23H+3 0.00000 0.54012 0.00000 0.00000 0.00000
91 23H-3 0.00000 0.00000 0.00000 0.00000 0.00000
92 23H+4 0.00000 0.00000 -0.24758 0.00000 0.00000
93 23H-4 -0.68323 0.00000 0.00000 0.24758 -0.26565
94 23H+5 -0.41028 0.00000 0.00000 0.47542 0.17173
95 23H-5 0.00000 0.00000 -0.47542 0.00000 0.00000
96 2 H 1S 0.00000 0.00000 -0.00976 0.00000 0.00000
97 2S 0.00000 0.00000 0.18866 0.00000 0.00000
98 3S 0.00000 0.00000 -1.52991 0.00000 0.00000
99 4S 0.00000 0.00000 -1.91210 0.00000 0.00000
100 5S 0.00000 0.00000 0.12566 0.00000 0.00000
101 6PX -0.11016 -0.10949 0.00000 -0.02859 -0.09682
102 6PY 0.00000 0.00000 -0.05734 0.00000 0.00000
103 6PZ 0.00000 0.00000 -0.11729 0.00000 0.00000
104 7PX 0.86973 0.91027 0.00000 0.25193 0.82685
105 7PY 0.00000 0.00000 0.47345 0.00000 0.00000
106 7PZ 0.00000 0.00000 0.95829 0.00000 0.00000
107 8PX -0.50773 -0.93382 0.00000 -0.57229 -1.47332
108 8PY 0.00000 0.00000 0.18445 0.00000 0.00000
109 8PZ 0.00000 0.00000 -1.14571 0.00000 0.00000
110 9PX -0.79325 -0.68282 0.00000 0.03318 -0.33450
111 9PY 0.00000 0.00000 0.30463 0.00000 0.00000
112 9PZ 0.00000 0.00000 -1.17512 0.00000 0.00000
113 10D 0 0.00000 0.00000 -0.10810 0.00000 0.00000
114 10D+1 -0.08604 -0.02954 0.00000 0.03964 -0.01064
115 10D-1 0.00000 0.00000 0.04599 0.00000 0.00000
116 10D+2 0.00000 0.00000 -0.06912 0.00000 0.00000
117 10D-2 0.11206 0.10036 0.00000 0.00335 -0.01096
118 11D 0 0.00000 0.00000 0.75641 0.00000 0.00000
119 11D+1 0.58750 0.22363 0.00000 -0.26896 0.09164
120 11D-1 0.00000 0.00000 -0.32509 0.00000 0.00000
121 11D+2 0.00000 0.00000 0.47556 0.00000 0.00000
122 11D-2 -0.76634 -0.73231 0.00000 -0.07827 0.18501
123 12D 0 0.00000 0.00000 -0.93042 0.00000 0.00000
124 12D+1 -0.01228 -0.66136 0.00000 -0.66219 -0.41381
125 12D-1 0.00000 0.00000 0.81766 0.00000 0.00000
126 12D+2 0.00000 0.00000 -0.31035 0.00000 0.00000
127 12D-2 1.04261 1.04919 0.00000 0.14933 0.80230
128 13F 0 0.00000 0.00000 -0.00091 0.00000 0.00000
129 13F+1 -0.03054 0.01935 0.00000 0.03831 -0.01146
130 13F-1 0.00000 0.00000 -0.01322 0.00000 0.00000
131 13F+2 0.00000 0.00000 -0.00221 0.00000 0.00000
132 13F-2 0.01632 -0.01597 0.00000 -0.03943 -0.00829
133 13F+3 -0.02622 0.00075 0.00000 0.02709 -0.03943
134 13F-3 0.00000 0.00000 0.00533 0.00000 0.00000
135 14F 0 0.00000 0.00000 0.05671 0.00000 0.00000
136 14F+1 0.37100 -0.18305 0.00000 -0.42635 0.11939
137 14F-1 0.00000 0.00000 0.32521 0.00000 0.00000
138 14F+2 0.00000 0.00000 0.09713 0.00000 0.00000
139 14F-2 -0.12984 0.26048 0.00000 0.48109 0.23353
140 14F+3 0.31293 0.22108 0.00000 -0.13519 0.46063
141 14F-3 0.00000 0.00000 -0.02387 0.00000 0.00000
142 15G 0 0.00000 0.00000 -0.00848 0.00000 0.00000
143 15G+1 -0.00516 0.00759 0.00000 0.00130 -0.00102
144 15G-1 0.00000 0.00000 -0.01487 0.00000 0.00000
145 15G+2 0.00000 0.00000 -0.01156 0.00000 0.00000
146 15G-2 -0.00516 -0.00477 0.00000 -0.00543 0.01231
147 15G+3 -0.01746 -0.00520 0.00000 0.00507 -0.00650
148 15G-3 0.00000 0.00000 -0.00714 0.00000 0.00000
149 15G+4 0.00000 0.00000 0.00403 0.00000 0.00000
150 15G-4 0.01217 0.00859 0.00000 -0.01364 0.02175
151 3 H 1S -0.01517 0.00000 0.00488 -0.00845 0.09471
152 2S 0.04762 0.00000 -0.09433 0.16338 -0.01862
153 3S 0.60223 0.00000 0.76495 -1.32494 3.32919
154 4S 1.58556 0.00000 0.95605 -1.65593 0.42014
155 5S -0.11536 0.00000 -0.06283 0.10882 0.38001
156 6PX -0.07714 0.05475 0.01245 -0.05016 0.04580
157 6PY -0.01906 0.09482 -0.03578 0.01245 -0.08234
158 6PZ -0.01034 0.00000 0.05864 -0.10157 -0.09886
159 7PX 0.66174 -0.45514 -0.09592 0.41807 -0.39298
160 7PY 0.12008 -0.78832 0.30731 -0.09592 0.70427
161 7PZ 0.07435 0.00000 -0.47914 0.82990 0.84589
162 8PX -0.97255 0.46691 -0.32768 -0.00473 -1.30699
163 8PY 0.26836 0.80871 -0.38311 -0.32768 -0.09603
164 8PZ -0.08563 0.00000 0.57286 -0.99222 -0.33436
165 9PX -0.93557 0.34141 -0.11754 0.23677 -0.36918
166 9PY 0.08217 0.59134 0.10104 -0.11754 0.02002
167 9PZ 0.33453 0.00000 0.58756 -1.01769 -0.04373
168 10D 0 -0.01921 0.00000 0.05405 -0.09362 0.03043
169 10D+1 -0.03572 0.01477 -0.00275 0.04441 0.06009
170 10D-1 -0.02905 0.02558 0.04123 -0.00275 -0.04083
171 10D+2 0.05798 -0.08691 -0.01476 0.03138 -0.04407
172 10D-2 0.01164 -0.05018 0.03138 -0.05100 0.06538
173 11D 0 0.17010 0.00000 -0.37820 0.65507 -0.19847
174 11D+1 0.23605 -0.11181 0.02430 -0.31106 -0.44699
175 11D-1 0.20291 -0.19367 -0.28299 0.02430 0.31098
176 11D+2 -0.41109 0.63420 0.06019 -0.23982 0.36211
177 11D-2 -0.05432 0.36615 -0.23982 0.33711 -0.44219
178 12D 0 -0.49389 0.00000 0.46521 -0.80577 -0.39380
179 12D+1 -0.29350 0.33068 -0.64079 0.44770 0.35027
180 12D-1 0.16236 0.57276 -0.29222 -0.64079 -0.44114
181 12D+2 0.85104 -0.90863 0.03441 0.19905 0.35178
182 12D-2 -0.43145 -0.52460 0.19905 -0.19543 0.19299
183 13F 0 0.00345 0.00000 0.00046 -0.00079 0.00307
184 13F+1 -0.00330 -0.00967 0.02231 -0.00033 -0.02364
185 13F-1 -0.01573 -0.01676 0.02543 0.02231 0.00703
186 13F+2 -0.00055 0.01383 -0.03013 -0.01612 0.00204
187 13F-2 0.01726 0.00799 -0.01612 -0.01151 -0.01183
188 13F+3 0.01311 0.00075 -0.02346 -0.01355 0.01971
189 13F-3 -0.02547 0.00000 -0.00267 0.00462 -0.00625
190 14F 0 -0.11821 0.00000 -0.02835 0.04911 -0.06484
191 14F+1 0.17652 0.09152 -0.32543 0.13732 0.26425
192 14F-1 0.11228 0.15852 -0.23846 -0.32543 -0.08364
193 14F+2 0.05844 -0.22558 0.38510 0.16626 0.05945
194 14F-2 -0.23106 -0.13024 0.16626 0.19312 0.13056
195 14F+3 -0.15647 0.22108 0.11708 0.06760 -0.23031
196 14F-3 0.30956 0.00000 0.01194 -0.02067 0.10072
197 15G 0 0.00273 0.00000 0.00424 -0.00734 -0.00630
198 15G+1 0.00606 -0.00380 0.00700 -0.01083 0.00280
199 15G-1 -0.00648 -0.00658 -0.00274 0.00700 -0.00220
200 15G+2 -0.00412 0.00413 -0.00696 0.00266 0.00994
201 15G-2 0.00197 0.00238 0.00266 -0.01003 -0.00491
202 15G+3 0.00873 -0.00520 -0.00439 -0.00254 0.00325
203 15G-3 -0.00772 0.00000 0.00357 -0.00618 0.01281
204 15G+4 -0.00424 0.00744 0.01124 0.00416 -0.01081
205 15G-4 0.00482 -0.00429 -0.00416 -0.00643 0.00303
206 4 H 1S 0.01517 0.00000 0.00488 0.00845 -0.09471
207 2S -0.04762 0.00000 -0.09433 -0.16338 0.01862
208 3S -0.60223 0.00000 0.76495 1.32494 -3.32919
209 4S -1.58556 0.00000 0.95605 1.65593 -0.42014
210 5S 0.11536 0.00000 -0.06283 -0.10882 -0.38001
211 6PX -0.07714 0.05475 -0.01245 -0.05016 0.04580
212 6PY 0.01906 -0.09482 -0.03578 -0.01245 0.08234
213 6PZ 0.01034 0.00000 0.05864 0.10157 0.09886
214 7PX 0.66174 -0.45514 0.09592 0.41807 -0.39298
215 7PY -0.12008 0.78832 0.30731 0.09592 -0.70427
216 7PZ -0.07435 0.00000 -0.47914 -0.82990 -0.84589
217 8PX -0.97255 0.46691 0.32768 -0.00473 -1.30699
218 8PY -0.26836 -0.80871 -0.38311 0.32768 0.09603
219 8PZ 0.08563 0.00000 0.57286 0.99222 0.33436
220 9PX -0.93557 0.34141 0.11754 0.23677 -0.36918
221 9PY -0.08217 -0.59134 0.10104 0.11754 -0.02002
222 9PZ -0.33453 0.00000 0.58756 1.01769 0.04373
223 10D 0 0.01921 0.00000 0.05405 0.09362 -0.03043
224 10D+1 -0.03572 0.01477 0.00275 0.04441 0.06009
225 10D-1 0.02905 -0.02558 0.04123 0.00275 0.04083
226 10D+2 -0.05798 0.08691 -0.01476 -0.03138 0.04407
227 10D-2 0.01164 -0.05018 -0.03138 -0.05100 0.06538
228 11D 0 -0.17010 0.00000 -0.37820 -0.65507 0.19847
229 11D+1 0.23605 -0.11181 -0.02430 -0.31106 -0.44699
230 11D-1 -0.20291 0.19367 -0.28299 -0.02430 -0.31098
231 11D+2 0.41109 -0.63420 0.06019 0.23982 -0.36211
232 11D-2 -0.05432 0.36615 0.23982 0.33711 -0.44219
233 12D 0 0.49389 0.00000 0.46521 0.80577 0.39380
234 12D+1 -0.29350 0.33068 0.64079 0.44770 0.35027
235 12D-1 -0.16236 -0.57276 -0.29222 0.64079 0.44114
236 12D+2 -0.85104 0.90863 0.03441 -0.19905 -0.35178
237 12D-2 -0.43145 -0.52460 -0.19905 -0.19543 0.19299
238 13F 0 -0.00345 0.00000 0.00046 0.00079 -0.00307
239 13F+1 -0.00330 -0.00967 -0.02231 -0.00033 -0.02364
240 13F-1 0.01573 0.01676 0.02543 -0.02231 -0.00703
241 13F+2 0.00055 -0.01383 -0.03013 0.01612 -0.00204
242 13F-2 0.01726 0.00799 0.01612 -0.01151 -0.01183
243 13F+3 0.01311 0.00075 0.02346 -0.01355 0.01971
244 13F-3 0.02547 0.00000 -0.00267 -0.00462 0.00625
245 14F 0 0.11821 0.00000 -0.02835 -0.04911 0.06484
246 14F+1 0.17652 0.09152 0.32543 0.13732 0.26425
247 14F-1 -0.11228 -0.15852 -0.23846 0.32543 0.08364
248 14F+2 -0.05844 0.22558 0.38510 -0.16626 -0.05945
249 14F-2 -0.23106 -0.13024 -0.16626 0.19312 0.13056
250 14F+3 -0.15647 0.22108 -0.11708 0.06760 -0.23031
251 14F-3 -0.30956 0.00000 0.01194 0.02067 -0.10072
252 15G 0 -0.00273 0.00000 0.00424 0.00734 0.00630
253 15G+1 0.00606 -0.00380 -0.00700 -0.01083 0.00280
254 15G-1 0.00648 0.00658 -0.00274 -0.00700 0.00220
255 15G+2 0.00412 -0.00413 -0.00696 -0.00266 -0.00994
256 15G-2 0.00197 0.00238 -0.00266 -0.01003 -0.00491
257 15G+3 0.00873 -0.00520 0.00439 -0.00254 0.00325
258 15G-3 0.00772 0.00000 0.00357 0.00618 -0.01281
259 15G+4 0.00424 -0.00744 0.01124 -0.00416 0.01081
260 15G-4 0.00482 -0.00429 0.00416 -0.00643 0.00303
166 167 168 169 170
(E)--V (A1)--V (E)--V (E)--V (A1)--V
Eigenvalues -- 7.04385 7.21263 7.28216 7.28216 7.38459
1 1 P 1S 0.00000 -0.04624 0.00000 0.00000 -0.02365
2 2S 0.00000 0.02962 0.00000 0.00000 0.02501
3 3S 0.00000 -0.64164 0.00000 0.00000 -0.27861
4 4S 0.00000 -0.93662 0.00000 0.00000 0.02864
5 5S 0.00000 -2.74102 0.00000 0.00000 -2.22362
6 6S 0.00000 5.79448 0.00000 0.00000 0.80767
7 7S 0.00000 -0.03091 0.00000 0.00000 0.38228
8 8PX 0.00000 0.00000 0.00000 -0.00782 0.00000
9 8PY -0.03838 0.00000 -0.00782 0.00000 0.00000
10 8PZ 0.00000 -0.01494 0.00000 0.00000 -0.09811
11 9PX 0.00000 0.00000 0.00000 0.10071 0.00000
12 9PY 0.19255 0.00000 0.10071 0.00000 0.00000
13 9PZ 0.00000 -0.00374 0.00000 0.00000 0.25886
14 10PX 0.00000 0.00000 0.00000 0.81263 0.00000
15 10PY 0.98832 0.00000 0.81263 0.00000 0.00000
16 10PZ 0.00000 -0.19829 0.00000 0.00000 1.63348
17 11PX 0.00000 0.00000 0.00000 -2.27693 0.00000
18 11PY -0.65716 0.00000 -2.27693 0.00000 0.00000
19 11PZ 0.00000 1.43460 0.00000 0.00000 -1.68775
20 12PX 0.00000 0.00000 0.00000 -2.16608 0.00000
21 12PY -1.91567 0.00000 -2.16608 0.00000 0.00000
22 12PZ 0.00000 -1.13373 0.00000 0.00000 -1.58896
23 13PX 0.00000 0.00000 0.00000 0.04903 0.00000
24 13PY -0.25353 0.00000 0.04903 0.00000 0.00000
25 13PZ 0.00000 0.10208 0.00000 0.00000 0.07103
26 14D 0 0.00000 -0.48752 0.00000 0.00000 0.37631
27 14D+1 0.00000 0.00000 0.00000 0.21675 0.00000
28 14D-1 1.02328 0.00000 0.21675 0.00000 0.00000
29 14D+2 1.00486 0.00000 0.90087 0.00000 0.00000
30 14D-2 0.00000 0.00000 0.00000 0.90087 0.00000
31 15D 0 0.00000 -3.44854 0.00000 0.00000 2.70176
32 15D+1 0.00000 0.00000 0.00000 -0.25402 0.00000
33 15D-1 1.99816 0.00000 -0.25402 0.00000 0.00000
34 15D+2 2.52057 0.00000 4.87693 0.00000 0.00000
35 15D-2 0.00000 0.00000 0.00000 4.87693 0.00000
36 16D 0 0.00000 0.41667 0.00000 0.00000 -0.24687
37 16D+1 0.00000 0.00000 0.00000 -0.17198 0.00000
38 16D-1 -0.62608 0.00000 -0.17198 0.00000 0.00000
39 16D+2 -0.57082 0.00000 -0.58216 0.00000 0.00000
40 16D-2 0.00000 0.00000 0.00000 -0.58216 0.00000
41 17D 0 0.00000 0.31598 0.00000 0.00000 -0.28212
42 17D+1 0.00000 0.00000 0.00000 0.44936 0.00000
43 17D-1 -0.04075 0.00000 0.44936 0.00000 0.00000
44 17D+2 -0.13110 0.00000 -0.26086 0.00000 0.00000
45 17D-2 0.00000 0.00000 0.00000 -0.26086 0.00000
46 18F 0 0.00000 0.24023 0.00000 0.00000 0.10562
47 18F+1 0.00000 0.00000 0.00000 0.14978 0.00000
48 18F-1 -0.21796 0.00000 0.14978 0.00000 0.00000
49 18F+2 -0.60327 0.00000 -0.23662 0.00000 0.00000
50 18F-2 0.00000 0.00000 0.00000 -0.23662 0.00000
51 18F+3 0.00000 0.00000 0.00000 0.00000 0.00000
52 18F-3 0.00000 -0.34014 0.00000 0.00000 -0.07074
53 19F 0 0.00000 1.82911 0.00000 0.00000 -0.25402
54 19F+1 0.00000 0.00000 0.00000 2.34820 0.00000
55 19F-1 -1.06286 0.00000 2.34820 0.00000 0.00000
56 19F+2 -2.58275 0.00000 -2.10030 0.00000 0.00000
57 19F-2 0.00000 0.00000 0.00000 -2.10030 0.00000
58 19F+3 0.00000 0.00000 0.00000 0.00000 0.00000
59 19F-3 0.00000 -2.52512 0.00000 0.00000 0.64534
60 20F 0 0.00000 -0.20618 0.00000 0.00000 -0.11664
61 20F+1 0.00000 0.00000 0.00000 -0.17473 0.00000
62 20F-1 0.02575 0.00000 -0.17473 0.00000 0.00000
63 20F+2 0.18313 0.00000 -0.07886 0.00000 0.00000
64 20F-2 0.00000 0.00000 0.00000 -0.07886 0.00000
65 20F+3 0.00000 0.00000 0.00000 0.00000 0.00000
66 20F-3 0.00000 0.28646 0.00000 0.00000 0.09663
67 21G 0 0.00000 0.14065 0.00000 0.00000 -0.61693
68 21G+1 0.00000 0.00000 0.00000 -0.81413 0.00000
69 21G-1 -0.02815 0.00000 -0.81413 0.00000 0.00000
70 21G+2 1.00317 0.00000 -0.19576 0.00000 0.00000
71 21G-2 0.00000 0.00000 0.00000 -0.19576 0.00000
72 21G+3 0.00000 0.00000 0.00000 0.00000 0.00000
73 21G-3 0.00000 0.87959 0.00000 0.00000 0.22342
74 21G+4 -0.00735 0.00000 -0.03933 0.00000 0.00000
75 21G-4 0.00000 0.00000 0.00000 0.03933 0.00000
76 22G 0 0.00000 0.19786 0.00000 0.00000 -0.60586
77 22G+1 0.00000 0.00000 0.00000 -0.54493 0.00000
78 22G-1 -0.01483 0.00000 -0.54493 0.00000 0.00000
79 22G+2 0.64512 0.00000 -0.24094 0.00000 0.00000
80 22G-2 0.00000 0.00000 0.00000 -0.24094 0.00000
81 22G+3 0.00000 0.00000 0.00000 0.00000 0.00000
82 22G-3 0.00000 0.52194 0.00000 0.00000 0.32846
83 22G+4 -0.01073 0.00000 0.03878 0.00000 0.00000
84 22G-4 0.00000 0.00000 0.00000 -0.03878 0.00000
85 23H 0 0.00000 -0.58506 0.00000 0.00000 0.60493
86 23H+1 0.00000 0.00000 0.00000 -0.01638 0.00000
87 23H-1 0.40525 0.00000 -0.01638 0.00000 0.00000
88 23H+2 -0.30395 0.00000 0.64271 0.00000 0.00000
89 23H-2 0.00000 0.00000 0.00000 0.64271 0.00000
90 23H+3 0.00000 0.00000 0.00000 0.00000 0.00000
91 23H-3 0.00000 -0.06665 0.00000 0.00000 -0.85825
92 23H+4 0.26565 0.00000 -0.23813 0.00000 0.00000
93 23H-4 0.00000 0.00000 0.00000 0.23813 0.00000
94 23H+5 0.00000 0.00000 0.00000 0.49076 0.00000
95 23H-5 -0.17173 0.00000 -0.49076 0.00000 0.00000
96 2 H 1S 0.10936 -0.06472 0.00230 0.00000 -0.07580
97 2S -0.02150 -0.10192 -0.50380 0.00000 -0.26898
98 3S 3.84422 -1.92220 2.72579 0.00000 -0.55740
99 4S 0.48514 -0.25114 2.11568 0.00000 0.46102
100 5S 0.43880 -0.03991 -0.13831 0.00000 -0.12806
101 6PX 0.00000 0.00000 0.00000 -0.11199 0.00000
102 6PY 0.09334 -0.12016 0.03509 0.00000 -0.05295
103 6PZ -0.11416 -0.04702 0.13623 0.00000 0.11382
104 7PX 0.00000 0.00000 0.00000 0.97534 0.00000
105 7PY -0.79959 1.05158 -0.27626 0.00000 0.47138
106 7PZ 0.97675 0.39261 -1.19938 0.00000 -0.99810
107 8PX 0.00000 0.00000 0.00000 -2.04196 0.00000
108 8PY -1.25154 -0.78103 -0.15766 0.00000 0.32547
109 8PZ -0.38609 -1.71456 3.27418 0.00000 1.52969
110 9PX 0.00000 0.00000 0.00000 -0.43949 0.00000
111 9PY -0.38074 -0.03682 -0.61332 0.00000 0.00580
112 9PZ -0.05050 -0.47720 1.20388 0.00000 0.50184
113 10D 0 0.03513 0.02336 -0.04973 0.00000 -0.04474
114 10D+1 0.00000 0.00000 0.00000 0.02833 0.00000
115 10D-1 0.08366 -0.06013 0.06004 0.00000 -0.02875
116 10D+2 0.09082 -0.02058 -0.01074 0.00000 -0.06189
117 10D-2 0.00000 0.00000 0.00000 -0.02484 0.00000
118 11D 0 -0.22917 -0.28758 0.47527 0.00000 0.39548
119 11D+1 0.00000 0.00000 0.00000 -0.26845 0.00000
120 11D-1 -0.62653 0.48038 -0.50706 0.00000 0.12664
121 11D+2 -0.65126 0.06612 0.13458 0.00000 0.45985
122 11D-2 0.00000 0.00000 0.00000 0.37975 0.00000
123 12D 0 -0.45473 -0.93229 1.17440 0.00000 0.67345
124 12D+1 0.00000 0.00000 0.00000 -0.55823 0.00000
125 12D-1 0.60497 0.18672 -1.17873 0.00000 -0.80433
126 12D+2 -0.01011 -0.66144 0.35792 0.00000 0.01847
127 12D-2 0.00000 0.00000 0.00000 1.05958 0.00000
128 13F 0 0.00354 0.00843 -0.01147 0.00000 -0.00991
129 13F+1 0.00000 0.00000 0.00000 0.01236 0.00000
130 13F-1 -0.02770 -0.04429 0.06592 0.00000 0.04345
131 13F+2 -0.01301 0.00083 0.00834 0.00000 0.00674
132 13F-2 0.00000 0.00000 0.00000 -0.03343 0.00000
133 13F+3 0.00000 0.00000 0.00000 -0.03169 0.00000
134 13F-3 -0.00722 -0.01034 0.03010 0.00000 0.01301
135 14F 0 -0.07487 -0.21139 0.11081 0.00000 0.11781
136 14F+1 0.00000 0.00000 0.00000 -0.11512 0.00000
137 14F-1 0.31254 0.63429 -0.92568 0.00000 -0.56882
138 14F+2 0.09624 -0.02502 -0.19715 0.00000 -0.11907
139 14F-2 0.00000 0.00000 0.00000 0.51249 0.00000
140 14F+3 0.00000 0.00000 0.00000 0.56697 0.00000
141 14F-3 0.11631 0.25299 -0.30853 0.00000 -0.15996
142 15G 0 -0.00728 -0.01263 0.00711 0.00000 0.00553
143 15G+1 0.00000 0.00000 0.00000 0.00324 0.00000
144 15G-1 0.00407 -0.01091 0.01157 0.00000 0.00218
145 15G+2 -0.01064 -0.00220 0.00944 0.00000 0.01343
146 15G-2 0.00000 0.00000 0.00000 -0.00719 0.00000
147 15G+3 0.00000 0.00000 0.00000 -0.00661 0.00000
148 15G-3 0.01479 -0.00593 0.00634 0.00000 -0.00498
149 15G+4 0.00321 0.00337 0.00891 0.00000 -0.00332
150 15G-4 0.00000 0.00000 0.00000 0.01597 0.00000
151 3 H 1S -0.05468 -0.06472 -0.00115 0.00199 -0.07580
152 2S 0.01075 -0.10192 0.25190 -0.43630 -0.26898
153 3S -1.92211 -1.92220 -1.36289 2.36060 -0.55740
154 4S -0.24257 -0.25114 -1.05784 1.83223 0.46102
155 5S -0.21940 -0.03991 0.06915 -0.11978 -0.12806
156 6PX -0.08234 -0.10406 -0.06369 -0.00168 -0.04586
157 6PY -0.04928 0.06008 -0.07522 -0.06369 0.02648
158 6PZ 0.05708 -0.04702 -0.06812 0.11798 0.11382
159 7PX 0.70427 0.91069 0.54196 0.03664 0.40823
160 7PY 0.42024 -0.52579 0.66244 0.54196 -0.23569
161 7PZ -0.48837 0.39261 0.59969 -1.03869 -0.99810
162 8PX -0.09603 -0.67639 -0.81593 -0.62873 0.28187
163 8PY -1.41788 0.39051 -1.57089 -0.81593 -0.16274
164 8PZ 0.19305 -1.71456 -1.63709 2.83552 1.52969
165 9PX 0.02002 -0.03189 0.07527 -0.56986 0.00502
166 9PY -0.34606 0.01841 -0.48295 0.07527 -0.00290
167 9PZ 0.02525 -0.47720 -0.60194 1.04259 0.50184
168 10D 0 -0.01757 0.02336 0.02487 -0.04307 -0.04474
169 10D+1 -0.04083 -0.05208 -0.01373 0.05212 -0.02490
170 10D-1 0.01294 0.03007 0.03626 -0.01373 0.01437
171 10D+2 0.01449 0.01029 -0.02132 -0.00611 0.03094
172 10D-2 -0.04407 -0.01783 -0.00611 -0.01426 -0.05360
173 11D 0 0.11459 -0.28758 -0.23763 0.41159 0.39548
174 11D+1 0.31098 0.41602 0.10332 -0.44741 0.10967
175 11D-1 -0.08790 -0.24019 -0.32810 0.10332 -0.06332
176 11D+2 -0.02406 -0.03306 0.31845 0.10616 -0.22993
177 11D-2 0.36211 0.05726 0.10616 0.19587 0.39824
178 12D 0 0.22736 -0.93229 -0.58720 1.01706 0.67345
179 12D+1 -0.44114 0.16171 0.26869 -1.02361 -0.69657
180 12D-1 -0.15912 -0.09336 -0.71335 0.26869 0.40216
181 12D+2 0.59920 0.33072 0.88416 0.30382 -0.00924
182 12D-2 0.35178 -0.57282 0.30382 0.53334 0.01600
183 13F 0 -0.00177 0.00843 0.00573 -0.00993 -0.00991
184 13F+1 0.00703 -0.03836 -0.02319 0.05253 0.03763
185 13F-1 -0.01552 0.02215 0.02575 -0.02319 -0.02173
186 13F+2 -0.00947 -0.00042 -0.02299 -0.01809 -0.00337
187 13F-2 0.00204 0.00072 -0.01809 -0.00211 0.00583
188 13F+3 0.03415 0.00000 0.02745 0.01585 0.00000
189 13F-3 0.00361 -0.01034 -0.01505 0.02607 0.01301
190 14F 0 0.03743 -0.21139 -0.05541 0.09597 0.11781
191 14F+1 -0.08364 0.54931 0.35098 -0.72304 -0.49261
192 14F-1 0.16768 -0.31714 -0.31776 0.35098 0.28441
193 14F+2 0.19921 0.01251 0.33508 0.30728 0.05954
194 14F-2 0.05945 -0.02167 0.30728 -0.01974 -0.10312
195 14F+3 -0.39892 0.00000 -0.49101 -0.28348 0.00000
196 14F-3 -0.05815 0.25299 0.15427 -0.26720 -0.15996
197 15G 0 0.00364 -0.01263 -0.00356 0.00616 0.00553
198 15G+1 -0.00220 -0.00945 -0.00360 0.00949 0.00189
199 15G-1 0.00025 0.00546 0.00533 -0.00360 -0.00109
200 15G+2 0.00657 0.00110 -0.00303 -0.00720 -0.00672
201 15G-2 0.00994 -0.00191 -0.00720 0.00528 0.01163
202 15G+3 0.00563 0.00000 0.00572 0.00330 0.00000
203 15G-3 -0.00739 -0.00593 -0.00317 0.00549 -0.00498
204 15G+4 -0.01551 -0.00169 -0.00975 -0.01077 0.00166
205 15G-4 0.01081 -0.00292 0.01077 -0.00269 0.00287
206 4 H 1S -0.05468 -0.06472 -0.00115 -0.00199 -0.07580
207 2S 0.01075 -0.10192 0.25190 0.43630 -0.26898
208 3S -1.92211 -1.92220 -1.36289 -2.36060 -0.55740
209 4S -0.24257 -0.25114 -1.05784 -1.83223 0.46102
210 5S -0.21940 -0.03991 0.06915 0.11978 -0.12806
211 6PX 0.08234 0.10406 0.06369 -0.00168 0.04586
212 6PY -0.04928 0.06008 -0.07522 0.06369 0.02648
213 6PZ 0.05708 -0.04702 -0.06812 -0.11798 0.11382
214 7PX -0.70427 -0.91069 -0.54196 0.03664 -0.40823
215 7PY 0.42024 -0.52579 0.66244 -0.54196 -0.23569
216 7PZ -0.48837 0.39261 0.59969 1.03869 -0.99810
217 8PX 0.09603 0.67639 0.81593 -0.62873 -0.28187
218 8PY -1.41788 0.39051 -1.57089 0.81593 -0.16274
219 8PZ 0.19305 -1.71456 -1.63709 -2.83552 1.52969
220 9PX -0.02002 0.03189 -0.07527 -0.56986 -0.00502
221 9PY -0.34606 0.01841 -0.48295 -0.07527 -0.00290
222 9PZ 0.02525 -0.47720 -0.60194 -1.04259 0.50184
223 10D 0 -0.01757 0.02336 0.02487 0.04307 -0.04474
224 10D+1 0.04083 0.05208 0.01373 0.05212 0.02490
225 10D-1 0.01294 0.03007 0.03626 0.01373 0.01437
226 10D+2 0.01449 0.01029 -0.02132 0.00611 0.03094
227 10D-2 0.04407 0.01783 0.00611 -0.01426 0.05360
228 11D 0 0.11459 -0.28758 -0.23763 -0.41159 0.39548
229 11D+1 -0.31098 -0.41602 -0.10332 -0.44741 -0.10967
230 11D-1 -0.08790 -0.24019 -0.32810 -0.10332 -0.06332
231 11D+2 -0.02406 -0.03306 0.31845 -0.10616 -0.22993
232 11D-2 -0.36211 -0.05726 -0.10616 0.19587 -0.39824
233 12D 0 0.22736 -0.93229 -0.58720 -1.01706 0.67345
234 12D+1 0.44114 -0.16171 -0.26869 -1.02361 0.69657
235 12D-1 -0.15912 -0.09336 -0.71335 -0.26869 0.40216
236 12D+2 0.59920 0.33072 0.88416 -0.30382 -0.00924
237 12D-2 -0.35178 0.57282 -0.30382 0.53334 -0.01600
238 13F 0 -0.00177 0.00843 0.00573 0.00993 -0.00991
239 13F+1 -0.00703 0.03836 0.02319 0.05253 -0.03763
240 13F-1 -0.01552 0.02215 0.02575 0.02319 -0.02173
241 13F+2 -0.00947 -0.00042 -0.02299 0.01809 -0.00337
242 13F-2 -0.00204 -0.00072 0.01809 -0.00211 -0.00583
243 13F+3 -0.03415 0.00000 -0.02745 0.01585 0.00000
244 13F-3 0.00361 -0.01034 -0.01505 -0.02607 0.01301
245 14F 0 0.03743 -0.21139 -0.05541 -0.09597 0.11781
246 14F+1 0.08364 -0.54931 -0.35098 -0.72304 0.49261
247 14F-1 0.16768 -0.31714 -0.31776 -0.35098 0.28441
248 14F+2 0.19921 0.01251 0.33508 -0.30728 0.05954
249 14F-2 -0.05945 0.02167 -0.30728 -0.01974 0.10312
250 14F+3 0.39892 0.00000 0.49101 -0.28348 0.00000
251 14F-3 -0.05815 0.25299 0.15427 0.26720 -0.15996
252 15G 0 0.00364 -0.01263 -0.00356 -0.00616 0.00553
253 15G+1 0.00220 0.00945 0.00360 0.00949 -0.00189
254 15G-1 0.00025 0.00546 0.00533 0.00360 -0.00109
255 15G+2 0.00657 0.00110 -0.00303 0.00720 -0.00672
256 15G-2 -0.00994 0.00191 0.00720 0.00528 -0.01163
257 15G+3 -0.00563 0.00000 -0.00572 0.00330 0.00000
258 15G-3 -0.00739 -0.00593 -0.00317 -0.00549 -0.00498
259 15G+4 -0.01551 -0.00169 -0.00975 0.01077 0.00166
260 15G-4 -0.01081 0.00292 -0.01077 -0.00269 -0.00287
171 172 173 174 175
(E)--V (E)--V (A2)--V (E)--V (E)--V
Eigenvalues -- 7.41411 7.41411 7.42956 7.71002 7.71002
1 1 P 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 0.11252 0.00000 0.00000 -0.03958
9 8PY 0.11252 0.00000 0.00000 -0.03958 0.00000
10 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
11 9PX 0.00000 -0.57070 0.00000 0.00000 0.38497
12 9PY -0.57070 0.00000 0.00000 0.38497 0.00000
13 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
14 10PX 0.00000 -4.10514 0.00000 0.00000 3.23803
15 10PY -4.10514 0.00000 0.00000 3.23803 0.00000
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148 15G-3 -0.02444 0.00000 0.00000 0.03611 0.00000
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150 15G-4 0.00000 0.00552 -0.00546 0.00000 -0.00609
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152 2S -0.64714 1.12088 0.00000 1.14613 -1.98516
153 3S 4.06716 -7.04453 0.00000 -6.03956 10.46083
154 4S 3.80733 -6.59450 0.00000 -3.79257 6.56893
155 5S -0.17888 0.30982 0.00000 0.19397 -0.33597
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157 6PY -0.06946 -0.03151 -0.10796 -0.08763 0.06446
158 6PZ 0.02111 -0.03657 0.00000 -0.00806 0.01396
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161 7PZ -0.19506 0.33785 0.00000 0.08542 -0.14795
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163 8PY -0.68095 -2.13544 -2.67858 -3.25328 2.84281
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167 9PZ 0.99527 -1.72386 0.00000 -0.67141 1.16292
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181 12D+2 0.92974 0.40065 1.26226 -0.04874 1.19976
182 12D-2 0.40065 0.46711 0.72877 1.19976 -1.43410
183 13F 0 -0.01129 0.01955 0.00000 -0.00492 0.00852
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185 13F-1 -0.00466 0.02409 -0.00662 -0.01058 0.02216
186 13F+2 -0.03948 -0.02200 -0.04823 -0.01580 -0.00302
187 13F-2 -0.02200 -0.01407 -0.02785 -0.00302 -0.01231
188 13F+3 0.04436 0.02561 0.06206 0.02282 0.01318
189 13F-3 0.01294 -0.02241 0.00000 0.00670 -0.01160
190 14F 0 0.02825 -0.04894 0.00000 0.22174 -0.38406
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192 14F-1 0.07448 -0.26498 -0.06374 0.06188 -0.22661
193 14F+2 0.50683 0.13409 0.63927 0.24204 0.30842
194 14F-2 0.13409 0.35200 0.36908 0.30842 -0.11410
195 14F+3 -0.53074 -0.30642 -0.65151 -0.14560 -0.08406
196 14F-3 -0.03308 0.05730 0.00000 -0.29098 0.50399
197 15G 0 -0.00998 0.01728 0.00000 0.00294 -0.00510
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199 15G-1 -0.00327 0.01059 -0.01671 -0.00126 -0.00541
200 15G+2 -0.00427 -0.00741 -0.00218 -0.00135 0.01057
201 15G-2 -0.00741 0.00429 -0.00126 0.01057 -0.01355
202 15G+3 0.01361 0.00786 0.01079 0.01113 0.00643
203 15G-3 0.01222 -0.02116 0.00000 -0.01806 0.03127
204 15G+4 -0.01041 0.00848 -0.00473 0.00473 0.00236
205 15G-4 -0.00848 0.02020 0.00273 -0.00236 -0.00200
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207 2S -0.64714 -1.12088 0.00000 1.14613 1.98516
208 3S 4.06716 7.04453 0.00000 -6.03956 -10.46083
209 4S 3.80733 6.59450 0.00000 -3.79257 -6.56893
210 5S -0.17888 -0.30982 0.00000 0.19397 0.33597
211 6PX 0.03151 -0.03307 -0.06233 -0.06446 -0.16206
212 6PY -0.06946 0.03151 0.10796 -0.08763 -0.06446
213 6PZ 0.02111 0.03657 0.00000 -0.00806 -0.01396
214 7PX -0.30340 0.22396 0.55116 0.62075 1.55367
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216 7PZ -0.19506 -0.33785 0.00000 0.08542 0.14795
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219 8PZ 1.67909 2.90827 0.00000 -1.04777 -1.81478
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227 10D-2 -0.00656 -0.06826 -0.04578 0.07138 0.07474
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232 11D-2 0.03418 0.53089 0.34832 -0.58774 -0.66469
233 12D 0 0.24333 0.42146 0.00000 0.70859 1.22731
234 12D+1 0.64629 0.59273 -0.55817 -0.17093 -0.99025
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236 12D+2 0.92974 -0.40065 -1.26226 -0.04874 -1.19976
237 12D-2 -0.40065 0.46711 0.72877 -1.19976 -1.43410
238 13F 0 -0.01129 -0.01955 0.00000 -0.00492 -0.00852
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240 13F-1 -0.00466 -0.02409 0.00662 -0.01058 -0.02216
241 13F+2 -0.03948 0.02200 0.04823 -0.01580 0.00302
242 13F-2 0.02200 -0.01407 -0.02785 0.00302 -0.01231
243 13F+3 -0.04436 0.02561 0.06206 -0.02282 0.01318
244 13F-3 0.01294 0.02241 0.00000 0.00670 0.01160
245 14F 0 0.02825 0.04894 0.00000 0.22174 0.38406
246 14F+1 0.26498 0.38045 -0.03680 0.22661 0.32355
247 14F-1 0.07448 0.26498 0.06374 0.06188 0.22661
248 14F+2 0.50683 -0.13409 -0.63927 0.24204 -0.30842
249 14F-2 -0.13409 0.35200 0.36908 -0.30842 -0.11410
250 14F+3 0.53074 -0.30642 -0.65151 0.14560 -0.08406
251 14F-3 -0.03308 -0.05730 0.00000 -0.29098 -0.50399
252 15G 0 -0.00998 -0.01728 0.00000 0.00294 0.00510
253 15G+1 -0.01059 -0.01550 -0.00965 0.00541 0.00498
254 15G-1 -0.00327 -0.01059 0.01671 -0.00126 0.00541
255 15G+2 -0.00427 0.00741 0.00218 -0.00135 -0.01057
256 15G-2 0.00741 0.00429 -0.00126 -0.01057 -0.01355
257 15G+3 -0.01361 0.00786 0.01079 -0.01113 0.00643
258 15G-3 0.01222 0.02116 0.00000 -0.01806 -0.03127
259 15G+4 -0.01041 -0.00848 0.00473 0.00473 -0.00236
260 15G-4 0.00848 0.02020 0.00273 0.00236 -0.00200
176 177 178 179 180
(A1)--V (E)--V (E)--V (A1)--V (E)--V
Eigenvalues -- 8.18956 8.27621 8.27621 8.91161 9.33997
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3 3S -0.52484 0.00000 0.00000 -3.52104 0.00000
4 4S -1.35130 0.00000 0.00000 -11.59359 0.00000
5 5S -1.90382 0.00000 0.00000 10.00977 0.00000
6 6S 9.88806 0.00000 0.00000 16.86355 0.00000
7 7S 0.51564 0.00000 0.00000 1.69453 0.00000
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9 8PY 0.00000 0.00000 0.00063 0.00000 0.00000
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12 9PY 0.00000 0.00000 0.00769 0.00000 0.00000
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15 10PY 0.00000 0.00000 0.16147 0.00000 0.00000
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28 14D-1 0.00000 0.00000 -0.80666 0.00000 0.00000
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32 15D+1 0.00000 -1.54562 0.00000 0.00000 -4.01697
33 15D-1 0.00000 0.00000 -1.54562 0.00000 0.00000
34 15D+2 0.00000 0.00000 5.08765 0.00000 0.00000
35 15D-2 0.00000 5.08765 0.00000 0.00000 -3.13549
36 16D 0 2.66888 0.00000 0.00000 -0.31179 0.00000
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38 16D-1 0.00000 0.00000 1.41672 0.00000 0.00000
39 16D+2 0.00000 0.00000 -2.37331 0.00000 0.00000
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41 17D 0 -1.58435 0.00000 0.00000 0.16880 0.00000
42 17D+1 0.00000 -0.87195 0.00000 0.00000 1.11083
43 17D-1 0.00000 0.00000 -0.87195 0.00000 0.00000
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45 17D-2 0.00000 1.30074 0.00000 0.00000 0.79759
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48 18F-1 0.00000 0.00000 0.72335 0.00000 0.00000
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50 18F-2 0.00000 -0.53261 0.00000 0.00000 -0.18819
51 18F+3 0.00000 0.00000 0.00000 0.00000 0.00000
52 18F-3 -0.72666 0.00000 0.00000 -0.27468 0.00000
53 19F 0 1.80466 0.00000 0.00000 1.88591 0.00000
54 19F+1 0.00000 1.40516 0.00000 0.00000 0.52793
55 19F-1 0.00000 0.00000 1.40516 0.00000 0.00000
56 19F+2 0.00000 0.00000 -2.35589 0.00000 0.00000
57 19F-2 0.00000 -2.35589 0.00000 0.00000 1.76414
58 19F+3 0.00000 0.00000 0.00000 0.00000 0.00000
59 19F-3 -2.33252 0.00000 0.00000 -2.07808 0.00000
60 20F 0 -0.18397 0.00000 0.00000 0.75657 0.00000
61 20F+1 0.00000 -0.22111 0.00000 0.00000 0.22591
62 20F-1 0.00000 0.00000 -0.22111 0.00000 0.00000
63 20F+2 0.00000 0.00000 0.22106 0.00000 0.00000
64 20F-2 0.00000 0.22106 0.00000 0.00000 0.66851
65 20F+3 0.00000 0.00000 0.00000 0.00000 0.00000
66 20F-3 0.24683 0.00000 0.00000 -0.84847 0.00000
67 21G 0 0.28111 0.00000 0.00000 -0.53889 0.00000
68 21G+1 0.00000 -0.64492 0.00000 0.00000 0.16461
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260 15G-4 0.01727 0.00276 0.01680 0.00387 -0.03277
181 182 183 184 185
(E)--V (A2)--V (E)--V (E)--V (E)--V
Eigenvalues -- 9.33997 12.60457 12.61424 12.61424 12.61957
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120 11D-1 0.72748 0.00000 0.00000 0.01854 0.00000
121 11D+2 0.55412 0.00000 0.00000 0.00595 0.00000
122 11D-2 0.00000 -0.00932 -0.01629 0.00000 -0.01333
123 12D 0 0.06007 0.00000 0.00000 -0.01360 0.00000
124 12D+1 0.00000 -0.01299 0.01887 0.00000 -0.04571
125 12D-1 1.68898 0.00000 0.00000 -0.01124 0.00000
126 12D+2 1.24093 0.00000 0.00000 -0.02069 0.00000
127 12D-2 0.00000 0.02806 -0.00077 0.00000 0.06393
128 13F 0 -0.06413 0.00000 0.00000 -0.24291 0.00000
129 13F+1 0.00000 0.13186 0.12361 0.00000 -0.48426
130 13F-1 -0.03882 0.00000 0.00000 -0.30009 0.00000
131 13F+2 -0.11846 0.00000 0.00000 0.44707 0.00000
132 13F-2 0.00000 0.20896 0.12209 0.00000 -0.42904
133 13F+3 0.00000 -0.21485 -0.02116 0.00000 0.41087
134 13F-3 0.07326 0.00000 0.00000 0.27136 0.00000
135 14F 0 0.39467 0.00000 0.00000 0.11364 0.00000
136 14F+1 0.00000 -0.06168 -0.05442 0.00000 0.22603
137 14F-1 0.28737 0.00000 0.00000 0.14206 0.00000
138 14F+2 0.71855 0.00000 0.00000 -0.20361 0.00000
139 14F-2 0.00000 -0.09639 -0.05966 0.00000 0.20564
140 14F+3 0.00000 0.10106 0.00761 0.00000 -0.18203
141 14F-3 -0.43768 0.00000 0.00000 -0.12391 0.00000
142 15G 0 -0.04189 0.00000 0.00000 -0.30831 0.00000
143 15G+1 0.00000 0.27479 0.02694 0.00000 -0.25686
144 15G-1 0.03705 0.00000 0.00000 -0.08216 0.00000
145 15G+2 -0.04814 0.00000 0.00000 0.00269 0.00000
146 15G-2 0.00000 0.06159 0.10700 0.00000 0.13994
147 15G+3 0.00000 0.17486 -0.06719 0.00000 -0.20698
148 15G-3 0.07227 0.00000 0.00000 -0.30324 0.00000
149 15G+4 0.04474 0.00000 0.00000 0.36761 0.00000
150 15G-4 0.00000 0.38526 -0.04311 0.00000 -0.25312
151 3 H 1S -0.04523 0.00000 -0.03318 0.01915 0.03996
152 2S -0.80014 0.00000 0.07756 -0.04478 -0.13143
153 3S 3.07643 0.00000 -0.31138 0.17977 0.57557
154 4S 1.06107 0.00000 -0.09830 0.05675 0.23645
155 5S -0.02259 0.00000 -0.01405 0.00811 0.00890
156 6PX -0.05632 -0.00132 0.00311 -0.00288 -0.00362
157 6PY 0.03091 -0.00229 -0.00288 -0.00021 0.00642
158 6PZ 0.04272 0.00000 -0.00309 0.00178 0.00684
159 7PX 0.51347 -0.00124 -0.00648 -0.00255 0.03350
160 7PY -0.28729 -0.00214 -0.00255 -0.00942 -0.01190
161 7PZ -0.40222 0.00000 -0.00302 0.00174 0.00279
162 8PX -1.91004 0.00046 0.09396 -0.02019 -0.24919
163 8PY 1.10486 0.00080 -0.02019 0.07065 0.11218
164 8PZ 1.46746 0.00000 -0.02137 0.01234 0.03831
165 9PX -0.68160 0.02587 -0.01867 0.01400 -0.10636
166 9PY 0.38934 0.04480 0.01400 -0.00251 -0.01768
167 9PZ 0.57047 0.00000 -0.01680 0.00970 0.02048
168 10D 0 0.00152 0.00000 0.02570 -0.01484 -0.00556
169 10D+1 0.00942 0.00199 -0.00558 -0.00580 -0.01131
170 10D-1 -0.00077 0.00345 -0.00580 -0.01227 0.02245
171 10D+2 0.00137 0.00437 -0.00781 0.00753 0.02664
172 10D-2 0.00945 0.00253 0.01655 -0.00781 -0.03518
173 11D 0 -0.02268 0.00000 -0.00608 0.00351 -0.01109
174 11D+1 -0.31151 -0.00276 0.01631 -0.00387 -0.01180
175 11D-1 0.18792 -0.00478 -0.00387 0.01185 0.00230
176 11D+2 0.16465 0.00807 -0.00963 -0.01073 -0.00340
177 11D-2 -0.22486 0.00466 0.00039 -0.00963 -0.00744
178 12D 0 -0.03004 0.00000 -0.01177 0.00680 -0.02956
179 12D+1 -0.77235 0.00649 -0.00372 0.01304 -0.01566
180 12D-1 0.35124 0.01125 0.01304 0.01134 -0.01735
181 12D+2 0.28618 -0.02430 0.00863 -0.00575 0.06394
182 12D-2 -0.55123 -0.01403 -0.01571 0.00863 -0.04682
183 13F 0 0.03206 0.00000 -0.21037 0.12146 -0.02336
184 13F+1 0.01935 -0.06593 -0.19417 0.18347 -0.17911
185 13F-1 -0.00531 -0.11419 0.18347 0.01769 -0.17618
186 13F+2 -0.03192 -0.18096 -0.14072 0.20334 -0.16405
187 13F-2 0.04996 -0.10448 0.36582 -0.14072 -0.14490
188 13F+3 -0.00552 -0.21485 0.01058 0.01833 -0.20544
189 13F-3 -0.03663 0.00000 0.23500 -0.13568 0.08521
190 14F 0 -0.19734 0.00000 0.09842 -0.05682 0.00755
191 14F+1 -0.13509 0.03084 0.09294 -0.08508 0.08737
192 14F-1 0.05338 0.05342 -0.08508 -0.00530 0.08006
193 14F+2 0.22282 0.08347 0.06233 -0.09565 0.08587
194 14F-2 -0.28621 0.04819 -0.16762 0.06233 0.05691
195 14F+3 -0.03418 0.10106 -0.00381 -0.00659 0.09101
196 14F-3 0.21884 0.00000 -0.10731 0.06196 -0.01621
197 15G 0 0.02095 0.00000 -0.26700 0.15415 -0.10126
198 15G+1 -0.01401 -0.13739 -0.05489 0.04724 -0.12256
199 15G-1 0.01279 -0.23797 0.04724 -0.00034 -0.07754
200 15G+2 -0.01477 -0.05334 0.04516 0.08092 0.00135
201 15G-2 0.01927 -0.03079 0.02877 0.04516 0.13760
202 15G+3 0.00136 0.17486 0.03360 0.05819 0.10349
203 15G-3 -0.03613 0.00000 -0.26262 0.15162 0.06966
204 15G+4 0.00884 0.33365 -0.14052 0.12423 0.09669
205 15G-4 0.02073 -0.19263 -0.28649 0.14052 -0.08565
206 4 H 1S -0.04523 0.00000 0.03318 0.01915 -0.03996
207 2S -0.80014 0.00000 -0.07756 -0.04478 0.13143
208 3S 3.07643 0.00000 0.31138 0.17977 -0.57557
209 4S 1.06107 0.00000 0.09830 0.05675 -0.23645
210 5S -0.02259 0.00000 0.01405 0.00811 -0.00890
211 6PX 0.05632 -0.00132 0.00311 0.00288 -0.00362
212 6PY 0.03091 0.00229 0.00288 -0.00021 -0.00642
213 6PZ 0.04272 0.00000 0.00309 0.00178 -0.00684
214 7PX -0.51347 -0.00124 -0.00648 0.00255 0.03350
215 7PY -0.28729 0.00214 0.00255 -0.00942 0.01190
216 7PZ -0.40222 0.00000 0.00302 0.00174 -0.00279
217 8PX 1.91004 0.00046 0.09396 0.02019 -0.24919
218 8PY 1.10486 -0.00080 0.02019 0.07065 -0.11218
219 8PZ 1.46746 0.00000 0.02137 0.01234 -0.03831
220 9PX 0.68160 0.02587 -0.01867 -0.01400 -0.10636
221 9PY 0.38934 -0.04480 -0.01400 -0.00251 0.01768
222 9PZ 0.57047 0.00000 0.01680 0.00970 -0.02048
223 10D 0 0.00152 0.00000 -0.02570 -0.01484 0.00556
224 10D+1 -0.00942 0.00199 -0.00558 0.00580 -0.01131
225 10D-1 -0.00077 -0.00345 0.00580 -0.01227 -0.02245
226 10D+2 0.00137 -0.00437 0.00781 0.00753 -0.02664
227 10D-2 -0.00945 0.00253 0.01655 0.00781 -0.03518
228 11D 0 -0.02268 0.00000 0.00608 0.00351 0.01109
229 11D+1 0.31151 -0.00276 0.01631 0.00387 -0.01180
230 11D-1 0.18792 0.00478 0.00387 0.01185 -0.00230
231 11D+2 0.16465 -0.00807 0.00963 -0.01073 0.00340
232 11D-2 0.22486 0.00466 0.00039 0.00963 -0.00744
233 12D 0 -0.03004 0.00000 0.01177 0.00680 0.02956
234 12D+1 0.77235 0.00649 -0.00372 -0.01304 -0.01566
235 12D-1 0.35124 -0.01125 -0.01304 0.01134 0.01735
236 12D+2 0.28618 0.02430 -0.00863 -0.00575 -0.06394
237 12D-2 0.55123 -0.01403 -0.01571 -0.00863 -0.04682
238 13F 0 0.03206 0.00000 0.21037 0.12146 0.02336
239 13F+1 -0.01935 -0.06593 -0.19417 -0.18347 -0.17911
240 13F-1 -0.00531 0.11419 -0.18347 0.01769 0.17618
241 13F+2 -0.03192 0.18096 0.14072 0.20334 0.16405
242 13F-2 -0.04996 -0.10448 0.36582 0.14072 -0.14490
243 13F+3 0.00552 -0.21485 0.01058 -0.01833 -0.20544
244 13F-3 -0.03663 0.00000 -0.23500 -0.13568 -0.08521
245 14F 0 -0.19734 0.00000 -0.09842 -0.05682 -0.00755
246 14F+1 0.13509 0.03084 0.09294 0.08508 0.08737
247 14F-1 0.05338 -0.05342 0.08508 -0.00530 -0.08006
248 14F+2 0.22282 -0.08347 -0.06233 -0.09565 -0.08587
249 14F-2 0.28621 0.04819 -0.16762 -0.06233 0.05691
250 14F+3 0.03418 0.10106 -0.00381 0.00659 0.09101
251 14F-3 0.21884 0.00000 0.10731 0.06196 0.01621
252 15G 0 0.02095 0.00000 0.26700 0.15415 0.10126
253 15G+1 0.01401 -0.13739 -0.05489 -0.04724 -0.12256
254 15G-1 0.01279 0.23797 -0.04724 -0.00034 0.07754
255 15G+2 -0.01477 0.05334 -0.04516 0.08092 -0.00135
256 15G-2 -0.01927 -0.03079 0.02877 -0.04516 0.13760
257 15G+3 -0.00136 0.17486 0.03360 -0.05819 0.10349
258 15G-3 -0.03613 0.00000 0.26262 0.15162 -0.06966
259 15G+4 0.00884 -0.33365 0.14052 0.12423 -0.09669
260 15G-4 -0.02073 -0.19263 -0.28649 -0.14052 -0.08565
186 187 188 189 190
(E)--V (A1)--V (A1)--V (E)--V (E)--V
Eigenvalues -- 12.61957 12.62689 12.65124 12.66193 12.66193
1 1 P 1S 0.00000 -0.00244 0.00177 0.00000 0.00000
2 2S 0.00000 0.00446 0.00773 0.00000 0.00000
3 3S 0.00000 -0.05254 0.02274 0.00000 0.00000
4 4S 0.00000 -0.09570 0.08948 0.00000 0.00000
5 5S 0.00000 -0.62307 -0.51878 0.00000 0.00000
6 6S 0.00000 1.64449 0.93194 0.00000 0.00000
7 7S 0.00000 -0.10945 0.00921 0.00000 0.00000
8 8PX 0.00000 0.00000 0.00000 -0.02058 0.00000
9 8PY -0.00573 0.00000 0.00000 0.00000 0.02058
10 8PZ 0.00000 -0.03894 -0.01047 0.00000 0.00000
11 9PX 0.00000 0.00000 0.00000 -0.04424 0.00000
12 9PY 0.00930 0.00000 0.00000 0.00000 0.04424
13 9PZ 0.00000 -0.03644 -0.00624 0.00000 0.00000
14 10PX 0.00000 0.00000 0.00000 -0.15320 0.00000
15 10PY 0.12543 0.00000 0.00000 0.00000 0.15320
16 10PZ 0.00000 0.08351 0.01964 0.00000 0.00000
17 11PX 0.00000 0.00000 0.00000 0.33430 0.00000
18 11PY -0.25832 0.00000 0.00000 0.00000 -0.33430
19 11PZ 0.00000 -0.19128 0.05864 0.00000 0.00000
20 12PX 0.00000 0.00000 0.00000 0.59243 0.00000
21 12PY -0.35635 0.00000 0.00000 0.00000 -0.59243
22 12PZ 0.00000 -0.20816 -0.35773 0.00000 0.00000
23 13PX 0.00000 0.00000 0.00000 0.01311 0.00000
24 13PY -0.01663 0.00000 0.00000 0.00000 -0.01311
25 13PZ 0.00000 0.10370 0.03533 0.00000 0.00000
26 14D 0 0.00000 -0.37666 -0.01909 0.00000 0.00000
27 14D+1 0.00000 0.00000 0.00000 -0.23055 0.00000
28 14D-1 0.17862 0.00000 0.00000 0.00000 0.23055
29 14D+2 0.26583 0.00000 0.00000 0.00000 0.17180
30 14D-2 0.00000 0.00000 0.00000 -0.17180 0.00000
31 15D 0 0.00000 -0.27063 -0.25389 0.00000 0.00000
32 15D+1 0.00000 0.00000 0.00000 -0.15403 0.00000
33 15D-1 0.33117 0.00000 0.00000 0.00000 0.15403
34 15D+2 0.27378 0.00000 0.00000 0.00000 0.50137
35 15D-2 0.00000 0.00000 0.00000 -0.50137 0.00000
36 16D 0 0.00000 0.08949 0.14682 0.00000 0.00000
37 16D+1 0.00000 0.00000 0.00000 -0.06784 0.00000
38 16D-1 -0.05082 0.00000 0.00000 0.00000 0.06784
39 16D+2 -0.05193 0.00000 0.00000 0.00000 -0.12223
40 16D-2 0.00000 0.00000 0.00000 0.12223 0.00000
41 17D 0 0.00000 -0.01767 -0.08746 0.00000 0.00000
42 17D+1 0.00000 0.00000 0.00000 0.06692 0.00000
43 17D-1 -0.00670 0.00000 0.00000 0.00000 -0.06692
44 17D+2 -0.00120 0.00000 0.00000 0.00000 0.03483
45 17D-2 0.00000 0.00000 0.00000 -0.03483 0.00000
46 18F 0 0.00000 0.22743 0.10561 0.00000 0.00000
47 18F+1 0.00000 0.00000 0.00000 0.05880 0.00000
48 18F-1 -0.09116 0.00000 0.00000 0.00000 -0.05880
49 18F+2 -0.22590 0.00000 0.00000 0.00000 -0.08908
50 18F-2 0.00000 0.00000 0.00000 0.08908 0.00000
51 18F+3 0.00000 0.00000 0.00000 0.00000 0.00000
52 18F-3 0.00000 -0.28659 -0.00317 0.00000 0.00000
53 19F 0 0.00000 0.14899 0.24751 0.00000 0.00000
54 19F+1 0.00000 0.00000 0.00000 -0.09761 0.00000
55 19F-1 -0.13564 0.00000 0.00000 0.00000 0.09761
56 19F+2 -0.16152 0.00000 0.00000 0.00000 -0.29224
57 19F-2 0.00000 0.00000 0.00000 0.29224 0.00000
58 19F+3 0.00000 0.00000 0.00000 0.00000 0.00000
59 19F-3 0.00000 -0.25530 -0.06898 0.00000 0.00000
60 20F 0 0.00000 0.01516 -0.11939 0.00000 0.00000
61 20F+1 0.00000 0.00000 0.00000 0.06129 0.00000
62 20F-1 0.00828 0.00000 0.00000 0.00000 -0.06129
63 20F+2 -0.01440 0.00000 0.00000 0.00000 0.02058
64 20F-2 0.00000 0.00000 0.00000 -0.02058 0.00000
65 20F+3 0.00000 0.00000 0.00000 0.00000 0.00000
66 20F-3 0.00000 0.03555 0.00282 0.00000 0.00000
67 21G 0 0.00000 -0.05262 -0.17468 0.00000 0.00000
68 21G+1 0.00000 0.00000 0.00000 -0.00525 0.00000
69 21G-1 0.09697 0.00000 0.00000 0.00000 0.00525
70 21G+2 0.12737 0.00000 0.00000 0.00000 0.11829
71 21G-2 0.00000 0.00000 0.00000 -0.11829 0.00000
72 21G+3 0.00000 0.00000 0.00000 0.00000 0.00000
73 21G-3 0.00000 0.16677 0.02536 0.00000 0.00000
74 21G+4 -0.02295 0.00000 0.00000 0.00000 -0.07730
75 21G-4 0.00000 0.00000 0.00000 -0.07730 0.00000
76 22G 0 0.00000 0.00155 0.09529 0.00000 0.00000
77 22G+1 0.00000 0.00000 0.00000 0.05006 0.00000
78 22G-1 -0.04509 0.00000 0.00000 0.00000 -0.05006
79 22G+2 0.00230 0.00000 0.00000 0.00000 -0.01305
80 22G-2 0.00000 0.00000 0.00000 0.01305 0.00000
81 22G+3 0.00000 0.00000 0.00000 0.00000 0.00000
82 22G-3 0.00000 0.00835 0.03419 0.00000 0.00000
83 22G+4 0.00970 0.00000 0.00000 0.00000 0.04218
84 22G-4 0.00000 0.00000 0.00000 0.04218 0.00000
85 23H 0 0.00000 -0.05036 0.01055 0.00000 0.00000
86 23H+1 0.00000 0.00000 0.00000 -0.03199 0.00000
87 23H-1 0.01236 0.00000 0.00000 0.00000 0.03199
88 23H+2 -0.03286 0.00000 0.00000 0.00000 0.01614
89 23H-2 0.00000 0.00000 0.00000 -0.01614 0.00000
90 23H+3 0.00000 0.00000 0.00000 0.00000 0.00000
91 23H-3 0.00000 0.00166 -0.05647 0.00000 0.00000
92 23H+4 0.02086 0.00000 0.00000 0.00000 0.01722
93 23H-4 0.00000 0.00000 0.00000 0.01722 0.00000
94 23H+5 0.00000 0.00000 0.00000 -0.01541 0.00000
95 23H-5 -0.02484 0.00000 0.00000 0.00000 -0.01541
96 2 H 1S 0.04614 -0.05441 -0.05332 0.00000 -0.02853
97 2S -0.15176 0.13360 0.07612 0.00000 -0.02205
98 3S 0.66461 -0.60353 -0.29336 0.00000 0.47327
99 4S 0.27303 -0.12013 -0.08991 0.00000 0.61040
100 5S 0.01027 0.02799 0.00257 0.00000 -0.03695
101 6PX 0.00000 0.00000 0.00000 -0.00511 0.00000
102 6PY -0.00733 0.01093 -0.00100 0.00000 -0.00258
103 6PZ 0.00789 0.00130 0.00313 0.00000 0.00280
104 7PX 0.00000 0.00000 0.00000 -0.03301 0.00000
105 7PY 0.04036 -0.00710 0.01908 0.00000 0.02268
106 7PZ 0.00322 0.02677 0.00127 0.00000 -0.02608
107 8PX 0.00000 0.00000 0.00000 0.12218 0.00000
108 8PY -0.31396 0.13462 0.04485 0.00000 -0.22584
109 8PZ 0.04423 -0.17759 -0.05271 0.00000 0.18598
110 9PX 0.00000 0.00000 0.00000 0.03947 0.00000
111 9PY -0.09615 -0.08059 0.02904 0.00000 -0.22634
112 9PZ 0.02365 -0.25900 -0.05370 0.00000 0.14867
113 10D 0 -0.00642 0.01198 -0.01854 0.00000 -0.04895
114 10D+1 0.00000 0.00000 0.00000 0.02461 0.00000
115 10D-1 -0.02427 0.02896 -0.04523 0.00000 -0.06087
116 10D+2 -0.05056 0.00618 0.02905 0.00000 -0.02012
117 10D-2 0.00000 0.00000 0.00000 -0.02256 0.00000
118 11D 0 -0.01281 0.00028 0.01192 0.00000 0.03344
119 11D+1 0.00000 0.00000 0.00000 -0.01253 0.00000
120 11D-1 -0.01313 -0.00042 0.03086 0.00000 0.00547
121 11D+2 -0.00548 0.01787 -0.00145 0.00000 -0.00081
122 11D-2 0.00000 0.00000 0.00000 0.00873 0.00000
123 12D 0 -0.03413 -0.10848 0.00542 0.00000 0.03537
124 12D+1 0.00000 0.00000 0.00000 0.02408 0.00000
125 12D-1 -0.00564 0.07891 0.04456 0.00000 -0.10026
126 12D+2 -0.08374 -0.04822 -0.07984 0.00000 -0.07109
127 12D-2 0.00000 0.00000 0.00000 -0.11412 0.00000
128 13F 0 -0.02697 0.41263 -0.13658 0.00000 -0.38765
129 13F+1 0.00000 0.00000 0.00000 0.24087 0.00000
130 13F-1 -0.07739 0.29120 -0.05949 0.00000 0.09708
131 13F+2 -0.05019 -0.31320 -0.17046 0.00000 -0.08273
132 13F-2 0.00000 0.00000 0.00000 0.04512 0.00000
133 13F+3 0.00000 0.00000 0.00000 0.16329 0.00000
134 13F-3 0.09840 -0.14265 -0.36776 0.00000 -0.17228
135 14F 0 0.00872 -0.19501 0.07449 0.00000 0.17609
136 14F+1 0.00000 0.00000 0.00000 -0.12502 0.00000
137 14F-1 0.04115 -0.10602 0.03708 0.00000 -0.07158
138 14F+2 0.00734 0.15465 0.08290 0.00000 0.01274
139 14F-2 0.00000 0.00000 0.00000 -0.03897 0.00000
140 14F+3 0.00000 0.00000 0.00000 -0.10853 0.00000
141 14F-3 -0.01872 0.06989 0.20089 0.00000 0.09095
142 15G 0 -0.11693 0.20991 -0.15154 0.00000 -0.17954
143 15G+1 0.00000 0.00000 0.00000 0.43811 0.00000
144 15G-1 -0.07779 -0.07535 0.10138 0.00000 0.25378
145 15G+2 0.13682 -0.02834 -0.05351 0.00000 -0.04194
146 15G-2 0.00000 0.00000 0.00000 0.12330 0.00000
147 15G+3 0.00000 0.00000 0.00000 -0.22616 0.00000
148 15G-3 0.08043 0.14008 0.10016 0.00000 -0.14251
149 15G+4 0.02983 -0.00121 -0.39549 0.00000 0.02983
150 15G-4 0.00000 0.00000 0.00000 -0.29874 0.00000
151 3 H 1S -0.02307 -0.05441 -0.05332 0.02471 0.01426
152 2S 0.07588 0.13360 0.07612 0.01909 0.01102
153 3S -0.33231 -0.60353 -0.29336 -0.40986 -0.23663
154 4S -0.13651 -0.12013 -0.08991 -0.52862 -0.30520
155 5S -0.00514 0.02799 0.00257 0.03200 0.01848
156 6PX 0.00642 0.00947 -0.00087 0.00066 0.00333
157 6PY 0.00379 -0.00547 0.00050 -0.00333 0.00319
158 6PZ -0.00395 0.00130 0.00313 -0.00242 -0.00140
159 7PX -0.01190 -0.00614 0.01653 -0.02526 0.00447
160 7PY 0.01976 0.00355 -0.00954 -0.00447 0.03043
161 7PZ -0.00161 0.02677 0.00127 0.02258 0.01304
162 8PX 0.11218 0.11658 0.03884 0.19993 0.04488
163 8PY -0.11966 -0.06731 -0.02242 -0.04488 -0.14810
164 8PZ -0.02212 -0.17759 -0.05271 -0.16107 -0.09299
165 9PX -0.01768 -0.06980 0.02515 0.17962 0.08092
166 9PY -0.12678 0.04030 -0.01452 -0.08092 -0.08618
167 9PZ -0.01183 -0.25900 -0.05370 -0.12875 -0.07434
168 10D 0 0.00321 0.01198 -0.01854 0.04239 0.02447
169 10D+1 0.02245 0.02508 -0.03917 0.05181 0.01570
170 10D-1 0.01462 -0.01448 0.02261 -0.01570 -0.03367
171 10D+2 -0.00441 -0.00309 -0.01452 -0.01848 0.01189
172 10D-2 0.02664 0.00535 0.02516 0.00945 0.01848
173 11D 0 0.00640 0.00028 0.01192 -0.02896 -0.01672
174 11D+1 0.00230 -0.00037 0.02673 -0.00723 0.00306
175 11D-1 -0.00914 0.00021 -0.01543 -0.00306 0.01077
176 11D+2 -0.01137 -0.00894 0.00072 0.00343 -0.00675
177 11D-2 -0.00340 0.01548 -0.00125 0.00279 -0.00343
178 12D 0 0.01706 -0.10848 0.00542 -0.03063 -0.01768
179 12D+1 -0.01735 0.06834 0.03859 0.08122 0.03299
180 12D-1 -0.03569 -0.03946 -0.02228 -0.03299 -0.04313
181 12D+2 0.02701 0.02411 0.03992 -0.08020 0.06782
182 12D-2 0.06394 -0.04176 -0.06914 0.02479 0.08020
183 13F 0 0.01349 0.41263 -0.13658 0.33572 0.19383
184 13F+1 -0.17618 0.25219 -0.05152 -0.01260 -0.14634
185 13F-1 -0.38255 -0.14560 0.02974 0.14634 -0.15638
186 13F+2 -0.33433 0.15660 0.08523 -0.01629 -0.05452
187 13F-2 -0.16405 -0.27124 -0.14762 0.07333 0.01629
188 13F+3 -0.35583 0.00000 0.00000 -0.08164 0.14141
189 13F-3 -0.04920 -0.14265 -0.36776 0.14920 0.08614
190 14F 0 -0.00436 -0.19501 0.07449 -0.15250 -0.08805
191 14F+1 0.08006 -0.09181 0.03211 0.02243 0.08513
192 14F-1 0.17981 0.05301 -0.01854 -0.08513 0.07587
193 14F+2 0.15606 -0.07732 -0.04145 -0.01136 0.03242
194 14F-2 0.08587 0.13393 0.07179 -0.01930 0.01136
195 14F+3 0.15764 0.00000 0.00000 0.05426 -0.09399
196 14F-3 0.00936 0.06989 0.20089 -0.07877 -0.04548
197 15G 0 0.05846 0.20991 -0.15154 0.15548 0.08977
198 15G+1 -0.07754 -0.06525 0.08780 -0.08081 -0.29960
199 15G-1 -0.21209 0.03767 -0.05069 0.29960 -0.26514
200 15G+2 0.13916 0.01417 0.02675 0.03523 -0.10296
201 15G-2 0.00135 -0.02454 -0.04634 0.06228 -0.03523
202 15G+3 0.17925 0.00000 0.00000 0.11308 -0.19586
203 15G-3 -0.04022 0.14008 0.10016 0.12341 0.07125
204 15G+4 0.19730 0.00060 0.19775 0.14227 -0.21660
205 15G-4 -0.09669 0.00104 0.34251 -0.05231 0.14227
206 4 H 1S -0.02307 -0.05441 -0.05332 -0.02471 0.01426
207 2S 0.07588 0.13360 0.07612 -0.01909 0.01102
208 3S -0.33231 -0.60353 -0.29336 0.40986 -0.23663
209 4S -0.13651 -0.12013 -0.08991 0.52862 -0.30520
210 5S -0.00514 0.02799 0.00257 -0.03200 0.01848
211 6PX -0.00642 -0.00947 0.00087 0.00066 -0.00333
212 6PY 0.00379 -0.00547 0.00050 0.00333 0.00319
213 6PZ -0.00395 0.00130 0.00313 0.00242 -0.00140
214 7PX 0.01190 0.00614 -0.01653 -0.02526 -0.00447
215 7PY 0.01976 0.00355 -0.00954 0.00447 0.03043
216 7PZ -0.00161 0.02677 0.00127 -0.02258 0.01304
217 8PX -0.11218 -0.11658 -0.03884 0.19993 -0.04488
218 8PY -0.11966 -0.06731 -0.02242 0.04488 -0.14810
219 8PZ -0.02212 -0.17759 -0.05271 0.16107 -0.09299
220 9PX 0.01768 0.06980 -0.02515 0.17962 -0.08092
221 9PY -0.12678 0.04030 -0.01452 0.08092 -0.08618
222 9PZ -0.01183 -0.25900 -0.05370 0.12875 -0.07434
223 10D 0 0.00321 0.01198 -0.01854 -0.04239 0.02447
224 10D+1 -0.02245 -0.02508 0.03917 0.05181 -0.01570
225 10D-1 0.01462 -0.01448 0.02261 0.01570 -0.03367
226 10D+2 -0.00441 -0.00309 -0.01452 0.01848 0.01189
227 10D-2 -0.02664 -0.00535 -0.02516 0.00945 -0.01848
228 11D 0 0.00640 0.00028 0.01192 0.02896 -0.01672
229 11D+1 -0.00230 0.00037 -0.02673 -0.00723 -0.00306
230 11D-1 -0.00914 0.00021 -0.01543 0.00306 0.01077
231 11D+2 -0.01137 -0.00894 0.00072 -0.00343 -0.00675
232 11D-2 0.00340 -0.01548 0.00125 0.00279 0.00343
233 12D 0 0.01706 -0.10848 0.00542 0.03063 -0.01768
234 12D+1 0.01735 -0.06834 -0.03859 0.08122 -0.03299
235 12D-1 -0.03569 -0.03946 -0.02228 0.03299 -0.04313
236 12D+2 0.02701 0.02411 0.03992 0.08020 0.06782
237 12D-2 -0.06394 0.04176 0.06914 0.02479 -0.08020
238 13F 0 0.01349 0.41263 -0.13658 -0.33572 0.19383
239 13F+1 0.17618 -0.25219 0.05152 -0.01260 0.14634
240 13F-1 -0.38255 -0.14560 0.02974 -0.14634 -0.15638
241 13F+2 -0.33433 0.15660 0.08523 0.01629 -0.05452
242 13F-2 0.16405 0.27124 0.14762 0.07333 -0.01629
243 13F+3 0.35583 0.00000 0.00000 -0.08164 -0.14141
244 13F-3 -0.04920 -0.14265 -0.36776 -0.14920 0.08614
245 14F 0 -0.00436 -0.19501 0.07449 0.15250 -0.08805
246 14F+1 -0.08006 0.09181 -0.03211 0.02243 -0.08513
247 14F-1 0.17981 0.05301 -0.01854 0.08513 0.07587
248 14F+2 0.15606 -0.07732 -0.04145 0.01136 0.03242
249 14F-2 -0.08587 -0.13393 -0.07179 -0.01930 -0.01136
250 14F+3 -0.15764 0.00000 0.00000 0.05426 0.09399
251 14F-3 0.00936 0.06989 0.20089 0.07877 -0.04548
252 15G 0 0.05846 0.20991 -0.15154 -0.15548 0.08977
253 15G+1 0.07754 0.06525 -0.08780 -0.08081 0.29960
254 15G-1 -0.21209 0.03767 -0.05069 -0.29960 -0.26514
255 15G+2 0.13916 0.01417 0.02675 -0.03523 -0.10296
256 15G-2 -0.00135 0.02454 0.04634 0.06228 0.03523
257 15G+3 -0.17925 0.00000 0.00000 0.11308 0.19586
258 15G-3 -0.04022 0.14008 0.10016 -0.12341 0.07125
259 15G+4 0.19730 0.00060 0.19775 -0.14227 -0.21660
260 15G-4 0.09669 -0.00104 -0.34251 -0.05231 -0.14227
191 192 193 194 195
(A2)--V (E)--V (E)--V (A1)--V (A2)--V
Eigenvalues -- 12.66559 12.68656 12.68656 12.68668 12.71256
1 1 P 1S 0.00000 0.00000 0.00000 -0.00075 0.00000
2 2S 0.00000 0.00000 0.00000 0.00640 0.00000
3 3S 0.00000 0.00000 0.00000 -0.02456 0.00000
4 4S 0.00000 0.00000 0.00000 -0.05429 0.00000
5 5S 0.00000 0.00000 0.00000 -0.31227 0.00000
6 6S 0.00000 0.00000 0.00000 0.94558 0.00000
7 7S 0.00000 0.00000 0.00000 0.10952 0.00000
8 8PX 0.00000 0.00432 0.00000 0.00000 0.00000
9 8PY 0.00000 0.00000 0.00432 0.00000 0.00000
10 8PZ 0.00000 0.00000 0.00000 -0.04614 0.00000
11 9PX 0.00000 -0.01918 0.00000 0.00000 0.00000
12 9PY 0.00000 0.00000 -0.01918 0.00000 0.00000
13 9PZ 0.00000 0.00000 0.00000 -0.05138 0.00000
14 10PX 0.00000 -0.18674 0.00000 0.00000 0.00000
15 10PY 0.00000 0.00000 -0.18674 0.00000 0.00000
16 10PZ 0.00000 0.00000 0.00000 0.04334 0.00000
17 11PX 0.00000 0.38489 0.00000 0.00000 0.00000
18 11PY 0.00000 0.00000 0.38489 0.00000 0.00000
19 11PZ 0.00000 0.00000 0.00000 -0.14039 0.00000
20 12PX 0.00000 0.83293 0.00000 0.00000 0.00000
21 12PY 0.00000 0.00000 0.83293 0.00000 0.00000
22 12PZ 0.00000 0.00000 0.00000 -0.30943 0.00000
23 13PX 0.00000 0.01311 0.00000 0.00000 0.00000
24 13PY 0.00000 0.00000 0.01311 0.00000 0.00000
25 13PZ 0.00000 0.00000 0.00000 0.01628 0.00000
26 14D 0 0.00000 0.00000 0.00000 -0.12186 0.00000
27 14D+1 0.00000 -0.26452 0.00000 0.00000 0.00000
28 14D-1 0.00000 0.00000 -0.26452 0.00000 0.00000
29 14D+2 0.00000 0.00000 -0.31593 0.00000 0.00000
30 14D-2 0.00000 -0.31593 0.00000 0.00000 0.00000
31 15D 0 0.00000 0.00000 0.00000 -0.04020 0.00000
32 15D+1 0.00000 -0.26776 0.00000 0.00000 0.00000
33 15D-1 0.00000 0.00000 -0.26776 0.00000 0.00000
34 15D+2 0.00000 0.00000 -0.42919 0.00000 0.00000
35 15D-2 0.00000 -0.42919 0.00000 0.00000 0.00000
36 16D 0 0.00000 0.00000 0.00000 0.01980 0.00000
37 16D+1 0.00000 -0.01804 0.00000 0.00000 0.00000
38 16D-1 0.00000 0.00000 -0.01804 0.00000 0.00000
39 16D+2 0.00000 0.00000 0.07192 0.00000 0.00000
40 16D-2 0.00000 0.07192 0.00000 0.00000 0.00000
41 17D 0 0.00000 0.00000 0.00000 -0.00090 0.00000
42 17D+1 0.00000 0.04584 0.00000 0.00000 0.00000
43 17D-1 0.00000 0.00000 0.04584 0.00000 0.00000
44 17D+2 0.00000 0.00000 0.00072 0.00000 0.00000
45 17D-2 0.00000 0.00072 0.00000 0.00000 0.00000
46 18F 0 0.00000 0.00000 0.00000 0.11633 0.00000
47 18F+1 0.00000 -0.01313 0.00000 0.00000 0.00000
48 18F-1 0.00000 0.00000 -0.01313 0.00000 0.00000
49 18F+2 0.00000 0.00000 0.18211 0.00000 0.00000
50 18F-2 0.00000 0.18211 0.00000 0.00000 0.00000
51 18F+3 0.08578 0.00000 0.00000 0.00000 -0.17370
52 18F-3 0.00000 0.00000 0.00000 -0.09115 0.00000
53 19F 0 0.00000 0.00000 0.00000 0.10173 0.00000
54 19F+1 0.00000 -0.09277 0.00000 0.00000 0.00000
55 19F-1 0.00000 0.00000 -0.09277 0.00000 0.00000
56 19F+2 0.00000 0.00000 0.21149 0.00000 0.00000
57 19F-2 0.00000 0.21149 0.00000 0.00000 0.00000
58 19F+3 0.26451 0.00000 0.00000 0.00000 -0.41832
59 19F-3 0.00000 0.00000 0.00000 0.00200 0.00000
60 20F 0 0.00000 0.00000 0.00000 -0.02536 0.00000
61 20F+1 0.00000 0.05158 0.00000 0.00000 0.00000
62 20F-1 0.00000 0.00000 0.05158 0.00000 0.00000
63 20F+2 0.00000 0.00000 0.01859 0.00000 0.00000
64 20F-2 0.00000 0.01859 0.00000 0.00000 0.00000
65 20F+3 -0.08132 0.00000 0.00000 0.00000 0.10897
66 20F-3 0.00000 0.00000 0.00000 -0.03401 0.00000
67 21G 0 0.00000 0.00000 0.00000 -0.09480 0.00000
68 21G+1 0.00000 0.11203 0.00000 0.00000 0.00000
69 21G-1 0.00000 0.00000 0.11203 0.00000 0.00000
70 21G+2 0.00000 0.00000 -0.08454 0.00000 0.00000
71 21G-2 0.00000 -0.08454 0.00000 0.00000 0.00000
72 21G+3 -0.12915 0.00000 0.00000 0.00000 0.27932
73 21G-3 0.00000 0.00000 0.00000 0.05804 0.00000
74 21G+4 0.00000 0.00000 0.05101 0.00000 0.00000
75 21G-4 0.00000 -0.05101 0.00000 0.00000 0.00000
76 22G 0 0.00000 0.00000 0.00000 0.05598 0.00000
77 22G+1 0.00000 -0.00413 0.00000 0.00000 0.00000
78 22G-1 0.00000 0.00000 -0.00413 0.00000 0.00000
79 22G+2 0.00000 0.00000 0.01011 0.00000 0.00000
80 22G-2 0.00000 0.01011 0.00000 0.00000 0.00000
81 22G+3 0.00307 0.00000 0.00000 0.00000 -0.00699
82 22G-3 0.00000 0.00000 0.00000 0.01903 0.00000
83 22G+4 0.00000 0.00000 0.02233 0.00000 0.00000
84 22G-4 0.00000 -0.02233 0.00000 0.00000 0.00000
85 23H 0 0.00000 0.00000 0.00000 0.00006 0.00000
86 23H+1 0.00000 -0.01973 0.00000 0.00000 0.00000
87 23H-1 0.00000 0.00000 -0.01973 0.00000 0.00000
88 23H+2 0.00000 0.00000 -0.02816 0.00000 0.00000
89 23H-2 0.00000 -0.02816 0.00000 0.00000 0.00000
90 23H+3 0.07186 0.00000 0.00000 0.00000 -0.08798
91 23H-3 0.00000 0.00000 0.00000 -0.00732 0.00000
92 23H+4 0.00000 0.00000 -0.01882 0.00000 0.00000
93 23H-4 0.00000 0.01882 0.00000 0.00000 0.00000
94 23H+5 0.00000 -0.03027 0.00000 0.00000 0.00000
95 23H-5 0.00000 0.00000 0.03027 0.00000 0.00000
96 2 H 1S 0.00000 0.00000 -0.00177 -0.04647 0.00000
97 2S 0.00000 0.00000 0.09385 0.09574 0.00000
98 3S 0.00000 0.00000 -0.64766 -0.29213 0.00000
99 4S 0.00000 0.00000 -0.69605 -0.17042 0.00000
100 5S 0.00000 0.00000 0.03772 -0.00475 0.00000
101 6PX -0.00427 -0.00268 0.00000 0.00000 0.01179
102 6PY 0.00000 0.00000 0.01211 0.00574 0.00000
103 6PZ 0.00000 0.00000 -0.00296 -0.00189 0.00000
104 7PX -0.02055 -0.01796 0.00000 0.00000 0.04353
105 7PY 0.00000 0.00000 -0.02885 -0.00973 0.00000
106 7PZ 0.00000 0.00000 0.03694 0.00717 0.00000
107 8PX 0.11851 0.07309 0.00000 0.00000 -0.22891
108 8PY 0.00000 0.00000 0.24291 0.07994 0.00000
109 8PZ 0.00000 0.00000 -0.24524 -0.04745 0.00000
110 9PX 0.10041 0.05286 0.00000 0.00000 -0.18250
111 9PY 0.00000 0.00000 0.17742 0.04454 0.00000
112 9PZ 0.00000 0.00000 -0.23896 -0.09921 0.00000
113 10D 0 0.00000 0.00000 0.01586 -0.03036 0.00000
114 10D+1 -0.04273 -0.00118 0.00000 0.00000 0.01750
115 10D-1 0.00000 0.00000 0.04892 -0.00777 0.00000
116 10D+2 0.00000 0.00000 0.07188 0.03006 0.00000
117 10D-2 0.01557 -0.01977 0.00000 0.00000 0.01261
118 11D 0 0.00000 0.00000 -0.01157 0.01922 0.00000
119 11D+1 0.02740 0.00407 0.00000 0.00000 -0.01217
120 11D-1 0.00000 0.00000 0.00718 0.00894 0.00000
121 11D+2 0.00000 0.00000 -0.01856 -0.00685 0.00000
122 11D-2 -0.02426 0.00879 0.00000 0.00000 0.00861
123 12D 0 0.00000 0.00000 -0.06029 0.00966 0.00000
124 12D+1 0.07231 -0.00571 0.00000 0.00000 -0.13212
125 12D-1 0.00000 0.00000 0.13144 0.04115 0.00000
126 12D+2 0.00000 0.00000 0.02276 -0.01631 0.00000
127 12D-2 -0.07792 -0.06668 0.00000 0.00000 0.15604
128 13F 0 0.00000 0.00000 -0.13689 -0.11621 0.00000
129 13F+1 -0.37781 0.24432 0.00000 0.00000 0.42750
130 13F-1 0.00000 0.00000 -0.07054 0.12271 0.00000
131 13F+2 0.00000 0.00000 0.28543 0.00807 0.00000
132 13F-2 0.00202 0.06921 0.00000 0.00000 0.12122
133 13F+3 0.06369 0.05709 0.00000 0.00000 -0.14433
134 13F-3 0.00000 0.00000 -0.07028 -0.11249 0.00000
135 14F 0 0.00000 0.00000 0.07534 0.06263 0.00000
136 14F+1 0.17786 -0.12193 0.00000 0.00000 -0.20663
137 14F-1 0.00000 0.00000 0.06499 -0.05587 0.00000
138 14F+2 0.00000 0.00000 -0.10495 0.00481 0.00000
139 14F-2 -0.02286 -0.03361 0.00000 0.00000 -0.01965
140 14F+3 -0.04656 -0.04548 0.00000 0.00000 0.09837
141 14F-3 0.00000 0.00000 0.02628 0.06013 0.00000
142 15G 0 0.00000 0.00000 -0.26785 0.20879 0.00000
143 15G+1 0.21149 -0.12144 0.00000 0.00000 0.20847
144 15G-1 0.00000 0.00000 -0.19967 0.28555 0.00000
145 15G+2 0.00000 0.00000 0.40160 -0.34077 0.00000
146 15G-2 0.40104 -0.21750 0.00000 0.00000 0.05721
147 15G+3 -0.15663 0.11418 0.00000 0.00000 -0.28492
148 15G-3 0.00000 0.00000 0.28808 -0.24046 0.00000
149 15G+4 0.00000 0.00000 -0.32800 0.06647 0.00000
150 15G-4 -0.02793 -0.02449 0.00000 0.00000 -0.23327
151 3 H 1S 0.00000 -0.00153 0.00088 -0.04647 0.00000
152 2S 0.00000 0.08128 -0.04693 0.09574 0.00000
153 3S 0.00000 -0.56089 0.32383 -0.29213 0.00000
154 4S 0.00000 -0.60279 0.34802 -0.17042 0.00000
155 5S 0.00000 0.03266 -0.01886 -0.00475 0.00000
156 6PX 0.00214 0.00842 -0.00640 0.00497 -0.00589
157 6PY 0.00370 -0.00640 0.00102 -0.00287 -0.01021
158 6PZ 0.00000 -0.00256 0.00148 -0.00189 0.00000
159 7PX 0.01028 -0.02612 0.00471 -0.00843 -0.02177
160 7PY 0.01780 0.00471 -0.02068 0.00487 -0.03770
161 7PZ 0.00000 0.03199 -0.01847 0.00717 0.00000
162 8PX -0.05926 0.20045 -0.07353 0.06923 0.11446
163 8PY -0.10264 -0.07353 0.11554 -0.03997 0.19824
164 8PZ 0.00000 -0.21238 0.12262 -0.04745 0.00000
165 9PX -0.05021 0.14628 -0.05394 0.03857 0.09125
166 9PY -0.08696 -0.05394 0.08400 -0.02227 0.15805
167 9PZ 0.00000 -0.20695 0.11948 -0.09921 0.00000
168 10D 0 0.00000 0.01374 -0.00793 -0.03036 0.00000
169 10D+1 0.02136 0.03640 -0.02169 -0.00673 -0.00875
170 10D-1 0.03700 -0.02169 0.01135 0.00389 -0.01516
171 10D+2 -0.01348 -0.03969 0.00315 -0.01503 -0.01092
172 10D-2 -0.00778 0.04897 -0.03969 0.02603 -0.00631
173 11D 0 0.00000 -0.01002 0.00579 0.01922 0.00000
174 11D+1 -0.01370 0.00640 -0.00135 0.00774 0.00608
175 11D-1 -0.02373 -0.00135 0.00485 -0.00447 0.01054
176 11D+2 0.02101 0.01184 0.00195 0.00342 -0.00746
177 11D-2 0.01213 -0.01172 0.01184 -0.00593 -0.00431
178 12D 0 0.00000 -0.05222 0.03015 0.00966 0.00000
179 12D+1 -0.03615 0.09716 -0.05939 0.03563 0.06606
180 12D-1 -0.06262 -0.05939 0.02858 -0.02057 0.11442
181 12D+2 0.06748 -0.03873 -0.04432 0.00816 -0.13514
182 12D-2 0.03896 0.00040 -0.03873 -0.01413 -0.07802
183 13F 0 0.00000 -0.11855 0.06845 -0.11621 0.00000
184 13F+1 0.18890 0.00818 0.13634 0.10627 -0.21375
185 13F-1 0.32719 0.13634 0.16560 -0.06135 -0.37023
186 13F+2 -0.00175 -0.09363 0.12327 -0.00404 -0.10498
187 13F-2 -0.00101 0.23138 -0.09363 0.00699 -0.06061
188 13F+3 0.06369 -0.02854 -0.04944 0.00000 -0.14433
189 13F-3 0.00000 -0.06086 0.03514 -0.11249 0.00000
190 14F 0 0.00000 0.06525 -0.03767 0.06263 0.00000
191 14F+1 -0.08893 0.01826 -0.08094 -0.04839 0.10331
192 14F-1 -0.15403 -0.08094 -0.07520 0.02794 0.17895
193 14F+2 0.01979 0.03089 -0.05145 -0.00241 0.01701
194 14F-2 0.01143 -0.08712 0.03089 0.00417 0.00982
195 14F+3 -0.04656 0.02274 0.03939 0.00000 0.09837
196 14F-3 0.00000 0.02276 -0.01314 0.06013 0.00000
197 15G 0 0.00000 -0.23196 0.13392 0.20879 0.00000
198 15G+1 -0.10574 -0.18011 0.03388 0.24729 -0.10424
199 15G-1 -0.18315 0.03388 -0.14099 -0.14277 -0.18054
200 15G+2 -0.34731 -0.26808 -0.06273 0.17038 -0.04954
201 15G-2 -0.20052 0.24683 -0.26808 -0.29511 -0.02860
202 15G+3 -0.15663 -0.05709 -0.09888 0.00000 -0.28492
203 15G-3 0.00000 0.24949 -0.14404 -0.24046 0.00000
204 15G+4 -0.02419 0.15264 -0.06363 -0.03323 -0.20201
205 15G-4 0.01397 0.23988 -0.15264 -0.05756 0.11663
206 4 H 1S 0.00000 0.00153 0.00088 -0.04647 0.00000
207 2S 0.00000 -0.08128 -0.04693 0.09574 0.00000
208 3S 0.00000 0.56089 0.32383 -0.29213 0.00000
209 4S 0.00000 0.60279 0.34802 -0.17042 0.00000
210 5S 0.00000 -0.03266 -0.01886 -0.00475 0.00000
211 6PX 0.00214 0.00842 0.00640 -0.00497 -0.00589
212 6PY -0.00370 0.00640 0.00102 -0.00287 0.01021
213 6PZ 0.00000 0.00256 0.00148 -0.00189 0.00000
214 7PX 0.01028 -0.02612 -0.00471 0.00843 -0.02177
215 7PY -0.01780 -0.00471 -0.02068 0.00487 0.03770
216 7PZ 0.00000 -0.03199 -0.01847 0.00717 0.00000
217 8PX -0.05926 0.20045 0.07353 -0.06923 0.11446
218 8PY 0.10264 0.07353 0.11554 -0.03997 -0.19824
219 8PZ 0.00000 0.21238 0.12262 -0.04745 0.00000
220 9PX -0.05021 0.14628 0.05394 -0.03857 0.09125
221 9PY 0.08696 0.05394 0.08400 -0.02227 -0.15805
222 9PZ 0.00000 0.20695 0.11948 -0.09921 0.00000
223 10D 0 0.00000 -0.01374 -0.00793 -0.03036 0.00000
224 10D+1 0.02136 0.03640 0.02169 0.00673 -0.00875
225 10D-1 -0.03700 0.02169 0.01135 0.00389 0.01516
226 10D+2 0.01348 0.03969 0.00315 -0.01503 0.01092
227 10D-2 -0.00778 0.04897 0.03969 -0.02603 -0.00631
228 11D 0 0.00000 0.01002 0.00579 0.01922 0.00000
229 11D+1 -0.01370 0.00640 0.00135 -0.00774 0.00608
230 11D-1 0.02373 0.00135 0.00485 -0.00447 -0.01054
231 11D+2 -0.02101 -0.01184 0.00195 0.00342 0.00746
232 11D-2 0.01213 -0.01172 -0.01184 0.00593 -0.00431
233 12D 0 0.00000 0.05222 0.03015 0.00966 0.00000
234 12D+1 -0.03615 0.09716 0.05939 -0.03563 0.06606
235 12D-1 0.06262 0.05939 0.02858 -0.02057 -0.11442
236 12D+2 -0.06748 0.03873 -0.04432 0.00816 0.13514
237 12D-2 0.03896 0.00040 0.03873 0.01413 -0.07802
238 13F 0 0.00000 0.11855 0.06845 -0.11621 0.00000
239 13F+1 0.18890 0.00818 -0.13634 -0.10627 -0.21375
240 13F-1 -0.32719 -0.13634 0.16560 -0.06135 0.37023
241 13F+2 0.00175 0.09363 0.12327 -0.00404 0.10498
242 13F-2 -0.00101 0.23138 0.09363 -0.00699 -0.06061
243 13F+3 0.06369 -0.02854 0.04944 0.00000 -0.14433
244 13F-3 0.00000 0.06086 0.03514 -0.11249 0.00000
245 14F 0 0.00000 -0.06525 -0.03767 0.06263 0.00000
246 14F+1 -0.08893 0.01826 0.08094 0.04839 0.10331
247 14F-1 0.15403 0.08094 -0.07520 0.02794 -0.17895
248 14F+2 -0.01979 -0.03089 -0.05145 -0.00241 -0.01701
249 14F-2 0.01143 -0.08712 -0.03089 -0.00417 0.00982
250 14F+3 -0.04656 0.02274 -0.03939 0.00000 0.09837
251 14F-3 0.00000 -0.02276 -0.01314 0.06013 0.00000
252 15G 0 0.00000 0.23196 0.13392 0.20879 0.00000
253 15G+1 -0.10574 -0.18011 -0.03388 -0.24729 -0.10424
254 15G-1 0.18315 -0.03388 -0.14099 -0.14277 0.18054
255 15G+2 0.34731 0.26808 -0.06273 0.17038 0.04954
256 15G-2 -0.20052 0.24683 0.26808 0.29511 -0.02860
257 15G+3 -0.15663 -0.05709 0.09888 0.00000 -0.28492
258 15G-3 0.00000 -0.24949 -0.14404 -0.24046 0.00000
259 15G+4 0.02419 -0.15264 -0.06363 -0.03323 0.20201
260 15G-4 0.01397 0.23988 0.15264 0.05756 0.11663
196 197 198 199 200
(E)--V (E)--V (E)--V (E)--V (E)--V
Eigenvalues -- 12.72150 12.72150 12.74545 12.74545 12.77886
1 1 P 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 0.06144 0.00000 0.02414 0.00000 -0.01209
9 8PY 0.00000 0.06144 0.00000 0.02414 0.00000
10 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
11 9PX 0.08238 0.00000 0.03247 0.00000 -0.00964
12 9PY 0.00000 0.08238 0.00000 0.03247 0.00000
13 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
14 10PX 0.05667 0.00000 0.02830 0.00000 0.03778
15 10PY 0.00000 0.05667 0.00000 0.02830 0.00000
16 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000
17 11PX -0.02419 0.00000 -0.05735 0.00000 -0.10393
18 11PY 0.00000 -0.02419 0.00000 -0.05735 0.00000
19 11PZ 0.00000 0.00000 0.00000 0.00000 0.00000
20 12PX -0.27486 0.00000 0.13849 0.00000 -0.42630
21 12PY 0.00000 -0.27486 0.00000 0.13849 0.00000
22 12PZ 0.00000 0.00000 0.00000 0.00000 0.00000
23 13PX 0.00903 0.00000 0.00414 0.00000 0.00428
24 13PY 0.00000 0.00903 0.00000 0.00414 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 -0.06875 0.00000 -0.07574 0.00000 0.14644
28 14D-1 0.00000 -0.06875 0.00000 -0.07574 0.00000
29 14D+2 0.00000 0.28216 0.00000 0.07507 0.00000
30 14D-2 0.28216 0.00000 0.07507 0.00000 -0.07766
31 15D 0 0.00000 0.00000 0.00000 0.00000 0.00000
32 15D+1 -0.41164 0.00000 0.04864 0.00000 -0.12544
33 15D-1 0.00000 -0.41164 0.00000 0.04864 0.00000
34 15D+2 0.00000 0.18417 0.00000 -0.13239 0.00000
35 15D-2 0.18417 0.00000 -0.13239 0.00000 0.44256
36 16D 0 0.00000 0.00000 0.00000 0.00000 0.00000
37 16D+1 0.21288 0.00000 0.00214 0.00000 0.09789
38 16D-1 0.00000 0.21288 0.00000 0.00214 0.00000
39 16D+2 0.00000 -0.02224 0.00000 0.08628 0.00000
40 16D-2 -0.02224 0.00000 0.08628 0.00000 -0.19237
41 17D 0 0.00000 0.00000 0.00000 0.00000 0.00000
42 17D+1 -0.10174 0.00000 -0.00460 0.00000 -0.06726
43 17D-1 0.00000 -0.10174 0.00000 -0.00460 0.00000
44 17D+2 0.00000 -0.01537 0.00000 -0.05174 0.00000
45 17D-2 -0.01537 0.00000 -0.05174 0.00000 0.11227
46 18F 0 0.00000 0.00000 0.00000 0.00000 0.00000
47 18F+1 0.19251 0.00000 0.03517 0.00000 -0.06036
48 18F-1 0.00000 0.19251 0.00000 0.03517 0.00000
49 18F+2 0.00000 -0.12970 0.00000 -0.06264 0.00000
50 18F-2 -0.12970 0.00000 -0.06264 0.00000 0.12262
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 0.48493 0.00000 -0.05262 0.00000 0.31782
55 19F-1 0.00000 0.48493 0.00000 -0.05262 0.00000
56 19F+2 0.00000 0.02891 0.00000 0.05820 0.00000
57 19F-2 0.02891 0.00000 0.05820 0.00000 -0.18555
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 -0.13022 0.00000 0.01184 0.00000 -0.12186
62 20F-1 0.00000 -0.13022 0.00000 0.01184 0.00000
63 20F+2 0.00000 -0.02928 0.00000 -0.03748 0.00000
64 20F-2 -0.02928 0.00000 -0.03748 0.00000 0.07555
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 -0.27946 0.00000 -0.02546 0.00000 -0.11519
69 21G-1 0.00000 -0.27946 0.00000 -0.02546 0.00000
70 21G+2 0.00000 -0.05294 0.00000 0.02340 0.00000
71 21G-2 -0.05294 0.00000 0.02340 0.00000 -0.08881
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 -0.06116 0.00000 0.07656 0.00000
75 21G-4 0.06116 0.00000 -0.07656 0.00000 0.10725
76 22G 0 0.00000 0.00000 0.00000 0.00000 0.00000
77 22G+1 0.06333 0.00000 0.03291 0.00000 0.04692
78 22G-1 0.00000 0.06333 0.00000 0.03291 0.00000
79 22G+2 0.00000 -0.04763 0.00000 -0.00001 0.00000
80 22G-2 -0.04763 0.00000 -0.00001 0.00000 0.00645
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 0.01463 0.00000 -0.03809 0.00000
84 22G-4 -0.01463 0.00000 0.03809 0.00000 -0.02024
85 23H 0 0.00000 0.00000 0.00000 0.00000 0.00000
86 23H+1 -0.02573 0.00000 -0.05729 0.00000 0.03741
87 23H-1 0.00000 -0.02573 0.00000 -0.05729 0.00000
88 23H+2 0.00000 0.10922 0.00000 -0.00731 0.00000
89 23H-2 0.10922 0.00000 -0.00731 0.00000 0.02034
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 0.02273 0.00000 0.01487 0.00000
93 23H-4 -0.02273 0.00000 -0.01487 0.00000 -0.04234
94 23H+5 0.01362 0.00000 0.04140 0.00000 -0.02517
95 23H-5 0.00000 -0.01362 0.00000 -0.04140 0.00000
96 2 H 1S 0.00000 -0.10348 0.00000 -0.03211 0.00000
97 2S 0.00000 0.18075 0.00000 0.03734 0.00000
98 3S 0.00000 -0.24466 0.00000 -0.04939 0.00000
99 4S 0.00000 0.40093 0.00000 -0.01873 0.00000
100 5S 0.00000 -0.07800 0.00000 -0.01274 0.00000
101 6PX 0.00266 0.00000 0.00021 0.00000 0.01216
102 6PY 0.00000 -0.00857 0.00000 -0.00195 0.00000
103 6PZ 0.00000 -0.01126 0.00000 0.00428 0.00000
104 7PX 0.02240 0.00000 -0.00596 0.00000 0.00864
105 7PY 0.00000 -0.03642 0.00000 0.01875 0.00000
106 7PZ 0.00000 -0.06030 0.00000 0.00298 0.00000
107 8PX -0.05942 0.00000 0.00963 0.00000 -0.01449
108 8PY 0.00000 0.24929 0.00000 -0.03226 0.00000
109 8PZ 0.00000 0.26315 0.00000 -0.03163 0.00000
110 9PX -0.13940 0.00000 -0.07878 0.00000 0.06173
111 9PY 0.00000 0.06571 0.00000 0.02734 0.00000
112 9PZ 0.00000 0.30606 0.00000 0.00329 0.00000
113 10D 0 0.00000 -0.02272 0.00000 0.06711 0.00000
114 10D+1 -0.09172 0.00000 -0.01379 0.00000 0.07459
115 10D-1 0.00000 -0.07064 0.00000 0.06089 0.00000
116 10D+2 0.00000 -0.03508 0.00000 -0.14984 0.00000
117 10D-2 0.00147 0.00000 -0.00764 0.00000 -0.10740
118 11D 0 0.00000 0.04121 0.00000 -0.03564 0.00000
119 11D+1 0.04762 0.00000 0.00682 0.00000 -0.03591
120 11D-1 0.00000 0.04384 0.00000 -0.03272 0.00000
121 11D+2 0.00000 0.04755 0.00000 0.08750 0.00000
122 11D-2 -0.00978 0.00000 0.00027 0.00000 0.05888
123 12D 0 0.00000 0.22054 0.00000 -0.03445 0.00000
124 12D+1 0.03782 0.00000 0.00090 0.00000 -0.01834
125 12D-1 0.00000 -0.16060 0.00000 -0.00138 0.00000
126 12D+2 0.00000 0.14049 0.00000 -0.01787 0.00000
127 12D-2 0.11679 0.00000 0.00187 0.00000 0.05797
128 13F 0 0.00000 0.09144 0.00000 0.44492 0.00000
129 13F+1 -0.23865 0.00000 -0.07915 0.00000 -0.01405
130 13F-1 0.00000 0.20531 0.00000 -0.09325 0.00000
131 13F+2 0.00000 -0.29095 0.00000 -0.00320 0.00000
132 13F-2 0.31971 0.00000 0.04687 0.00000 -0.33703
133 13F+3 -0.27594 0.00000 0.10777 0.00000 -0.20099
134 13F-3 0.00000 0.06595 0.00000 0.49526 0.00000
135 14F 0 0.00000 -0.03893 0.00000 -0.21357 0.00000
136 14F+1 0.12455 0.00000 0.03297 0.00000 0.01413
137 14F-1 0.00000 -0.17110 0.00000 0.05042 0.00000
138 14F+2 0.00000 0.12341 0.00000 -0.00024 0.00000
139 14F-2 -0.15388 0.00000 -0.02839 0.00000 0.17114
140 14F+3 0.16193 0.00000 -0.05719 0.00000 0.12149
141 14F-3 0.00000 -0.06214 0.00000 -0.22254 0.00000
142 15G 0 0.00000 -0.27805 0.00000 0.09534 0.00000
143 15G+1 0.09930 0.00000 -0.21785 0.00000 0.09708
144 15G-1 0.00000 -0.11081 0.00000 -0.17258 0.00000
145 15G+2 0.00000 0.27253 0.00000 -0.01623 0.00000
146 15G-2 0.37267 0.00000 -0.20415 0.00000 0.04937
147 15G+3 -0.02058 0.00000 0.34712 0.00000 -0.21181
148 15G-3 0.00000 0.20686 0.00000 0.09596 0.00000
149 15G+4 0.00000 0.14928 0.00000 0.19507 0.00000
150 15G-4 0.14982 0.00000 0.18115 0.00000 0.30213
151 3 H 1S -0.08962 0.05174 -0.02781 0.01606 0.01760
152 2S 0.15654 -0.09038 0.03234 -0.01867 -0.02270
153 3S -0.21188 0.12233 -0.04277 0.02469 0.07954
154 4S 0.34722 -0.20047 -0.01622 0.00937 0.29833
155 5S -0.06755 0.03900 -0.01103 0.00637 -0.01316
156 6PX -0.00576 0.00486 -0.00141 0.00094 -0.00072
157 6PY 0.00486 -0.00014 0.00094 -0.00033 0.00744
158 6PZ -0.00975 0.00563 0.00371 -0.00214 -0.01568
159 7PX -0.02172 0.02547 0.01257 -0.01070 -0.01790
160 7PY 0.02547 0.00769 -0.01070 0.00022 0.01532
161 7PZ -0.05222 0.03015 0.00258 -0.00149 -0.02184
162 8PX 0.17211 -0.13367 -0.02179 0.01814 0.04209
163 8PY -0.13367 0.01776 0.01814 -0.00084 -0.03266
164 8PZ 0.22790 -0.13158 -0.02740 0.01582 0.16728
165 9PX 0.01443 -0.08881 0.00081 -0.04595 -0.08146
166 9PY -0.08881 -0.08812 -0.04595 -0.05225 0.08267
167 9PZ 0.26506 -0.15303 0.00285 -0.00165 0.14652
168 10D 0 -0.01968 0.01136 0.05812 -0.03356 -0.03886
169 10D+1 -0.07591 -0.00913 0.04222 -0.03234 0.10119
170 10D-1 -0.00913 -0.08645 -0.03234 0.00488 -0.01536
171 10D+2 0.01582 -0.00767 0.06157 -0.04319 -0.00546
172 10D-2 -0.02594 0.01582 -0.11429 0.06157 -0.09794
173 11D 0 0.03569 -0.02061 -0.03087 0.01782 0.03017
174 11D+1 0.04478 0.00164 -0.02284 0.01712 -0.06418
175 11D-1 0.00164 0.04668 0.01712 -0.00307 0.01632
176 11D+2 -0.02483 0.00455 -0.03777 0.02208 -0.00021
177 11D-2 0.03322 -0.02483 0.06569 -0.03777 0.05924
178 12D 0 0.19099 -0.11027 -0.02983 0.01722 0.11417
179 12D+1 -0.11100 0.08592 -0.00081 0.00099 -0.08859
180 12D-1 0.08592 -0.01179 0.00099 0.00033 0.04056
181 12D+2 -0.01026 0.12271 0.00854 -0.00307 0.00346
182 12D-2 0.13457 -0.01026 -0.01293 0.00854 0.05197
183 13F 0 0.07919 -0.04572 0.38531 -0.22246 -0.14326
184 13F+1 0.09432 -0.19224 -0.08973 0.00610 0.18898
185 13F-1 -0.19224 -0.12766 0.00610 -0.08268 -0.11722
186 13F+2 0.26442 0.16704 0.02168 0.03435 -0.28907
187 13F-2 -0.13829 0.26442 0.00932 0.02168 0.16365
188 13F+3 0.13797 0.23897 -0.05388 -0.09333 0.10049
189 13F-3 0.05711 -0.03298 0.42890 -0.24763 0.38299
190 14F 0 -0.03372 0.01947 -0.18496 0.10679 0.07740
191 14F+1 -0.09719 0.12802 0.04606 -0.00756 -0.11752
192 14F-1 0.12802 0.05063 -0.00756 0.03733 0.07601
193 14F+2 -0.12007 -0.08456 -0.01219 -0.02135 0.14741
194 14F-2 0.05409 -0.12007 -0.00728 -0.01219 -0.08419
195 14F+3 -0.08096 -0.14023 0.02859 0.04952 -0.06074
196 14F-3 -0.05382 0.03107 -0.19272 0.11127 -0.19696
197 15G 0 -0.24080 0.13903 0.08257 -0.04767 0.17558
198 15G+1 -0.05828 0.09098 -0.18390 -0.01960 0.16810
199 15G-1 0.09098 0.04678 -0.01960 -0.20653 -0.04100
200 15G+2 0.04336 0.34764 -0.08137 -0.15717 -0.05134
201 15G-2 0.29757 0.04336 -0.06321 -0.08137 0.13829
202 15G+3 0.01029 0.01782 -0.17356 -0.30061 0.10590
203 15G-3 0.17915 -0.10343 0.08310 -0.04798 0.10621
204 15G+4 -0.12951 -0.07504 -0.16291 -0.08709 -0.10058
205 15G-4 -0.07450 0.12951 -0.10102 0.16291 0.12791
206 4 H 1S 0.08962 0.05174 0.02781 0.01606 -0.01760
207 2S -0.15654 -0.09038 -0.03234 -0.01867 0.02270
208 3S 0.21188 0.12233 0.04277 0.02469 -0.07954
209 4S -0.34722 -0.20047 0.01622 0.00937 -0.29833
210 5S 0.06755 0.03900 0.01103 0.00637 0.01316
211 6PX -0.00576 -0.00486 -0.00141 -0.00094 -0.00072
212 6PY -0.00486 -0.00014 -0.00094 -0.00033 -0.00744
213 6PZ 0.00975 0.00563 -0.00371 -0.00214 0.01568
214 7PX -0.02172 -0.02547 0.01257 0.01070 -0.01790
215 7PY -0.02547 0.00769 0.01070 0.00022 -0.01532
216 7PZ 0.05222 0.03015 -0.00258 -0.00149 0.02184
217 8PX 0.17211 0.13367 -0.02179 -0.01814 0.04209
218 8PY 0.13367 0.01776 -0.01814 -0.00084 0.03266
219 8PZ -0.22790 -0.13158 0.02740 0.01582 -0.16728
220 9PX 0.01443 0.08881 0.00081 0.04595 -0.08146
221 9PY 0.08881 -0.08812 0.04595 -0.05225 -0.08267
222 9PZ -0.26506 -0.15303 -0.00285 -0.00165 -0.14652
223 10D 0 0.01968 0.01136 -0.05812 -0.03356 0.03886
224 10D+1 -0.07591 0.00913 0.04222 0.03234 0.10119
225 10D-1 0.00913 -0.08645 0.03234 0.00488 0.01536
226 10D+2 -0.01582 -0.00767 -0.06157 -0.04319 0.00546
227 10D-2 -0.02594 -0.01582 -0.11429 -0.06157 -0.09794
228 11D 0 -0.03569 -0.02061 0.03087 0.01782 -0.03017
229 11D+1 0.04478 -0.00164 -0.02284 -0.01712 -0.06418
230 11D-1 -0.00164 0.04668 -0.01712 -0.00307 -0.01632
231 11D+2 0.02483 0.00455 0.03777 0.02208 0.00021
232 11D-2 0.03322 0.02483 0.06569 0.03777 0.05924
233 12D 0 -0.19099 -0.11027 0.02983 0.01722 -0.11417
234 12D+1 -0.11100 -0.08592 -0.00081 -0.00099 -0.08859
235 12D-1 -0.08592 -0.01179 -0.00099 0.00033 -0.04056
236 12D+2 0.01026 0.12271 -0.00854 -0.00307 -0.00346
237 12D-2 0.13457 0.01026 -0.01293 -0.00854 0.05197
238 13F 0 -0.07919 -0.04572 -0.38531 -0.22246 0.14326
239 13F+1 0.09432 0.19224 -0.08973 -0.00610 0.18898
240 13F-1 0.19224 -0.12766 -0.00610 -0.08268 0.11722
241 13F+2 -0.26442 0.16704 -0.02168 0.03435 0.28907
242 13F-2 -0.13829 -0.26442 0.00932 -0.02168 0.16365
243 13F+3 0.13797 -0.23897 -0.05388 0.09333 0.10049
244 13F-3 -0.05711 -0.03298 -0.42890 -0.24763 -0.38299
245 14F 0 0.03372 0.01947 0.18496 0.10679 -0.07740
246 14F+1 -0.09719 -0.12802 0.04606 0.00756 -0.11752
247 14F-1 -0.12802 0.05063 0.00756 0.03733 -0.07601
248 14F+2 0.12007 -0.08456 0.01219 -0.02135 -0.14741
249 14F-2 0.05409 0.12007 -0.00728 0.01219 -0.08419
250 14F+3 -0.08096 0.14023 0.02859 -0.04952 -0.06074
251 14F-3 0.05382 0.03107 0.19272 0.11127 0.19696
252 15G 0 0.24080 0.13903 -0.08257 -0.04767 -0.17558
253 15G+1 -0.05828 -0.09098 -0.18390 0.01960 0.16810
254 15G-1 -0.09098 0.04678 0.01960 -0.20653 0.04100
255 15G+2 -0.04336 0.34764 0.08137 -0.15717 0.05134
256 15G-2 0.29757 -0.04336 -0.06321 0.08137 0.13829
257 15G+3 0.01029 -0.01782 -0.17356 0.30061 0.10590
258 15G-3 -0.17915 -0.10343 -0.08310 -0.04798 -0.10621
259 15G+4 0.12951 -0.07504 0.16291 -0.08709 0.10058
260 15G-4 -0.07450 -0.12951 -0.10102 -0.16291 0.12791
201 202 203 204 205
(E)--V (A2)--V (A1)--V (E)--V (E)--V
Eigenvalues -- 12.77886 12.80899 12.83470 12.88020 12.88020
1 1 P 1S 0.00000 0.00000 0.00586 0.00000 0.00000
2 2S 0.00000 0.00000 0.02572 0.00000 0.00000
3 3S 0.00000 0.00000 0.06759 0.00000 0.00000
4 4S 0.00000 0.00000 0.21231 0.00000 0.00000
5 5S 0.00000 0.00000 -1.38326 0.00000 0.00000
6 6S 0.00000 0.00000 3.00932 0.00000 0.00000
7 7S 0.00000 0.00000 0.18772 0.00000 0.00000
8 8PX 0.00000 0.00000 0.00000 -0.07372 0.00000
9 8PY -0.01209 0.00000 0.00000 0.00000 -0.07372
10 8PZ 0.00000 0.00000 -0.03646 0.00000 0.00000
11 9PX 0.00000 0.00000 0.00000 -0.05748 0.00000
12 9PY -0.00964 0.00000 0.00000 0.00000 -0.05748
13 9PZ 0.00000 0.00000 -0.03458 0.00000 0.00000
14 10PX 0.00000 0.00000 0.00000 0.24193 0.00000
15 10PY 0.03778 0.00000 0.00000 0.00000 0.24193
16 10PZ 0.00000 0.00000 0.01517 0.00000 0.00000
17 11PX 0.00000 0.00000 0.00000 -0.69213 0.00000
18 11PY -0.10393 0.00000 0.00000 0.00000 -0.69213
19 11PZ 0.00000 0.00000 0.11871 0.00000 0.00000
20 12PX 0.00000 0.00000 0.00000 -0.84152 0.00000
21 12PY -0.42630 0.00000 0.00000 0.00000 -0.84152
22 12PZ 0.00000 0.00000 -1.02817 0.00000 0.00000
23 13PX 0.00000 0.00000 0.00000 0.01351 0.00000
24 13PY 0.00428 0.00000 0.00000 0.00000 0.01351
25 13PZ 0.00000 0.00000 0.04979 0.00000 0.00000
26 14D 0 0.00000 0.00000 -0.04169 0.00000 0.00000
27 14D+1 0.00000 0.00000 0.00000 0.23261 0.00000
28 14D-1 0.14644 0.00000 0.00000 0.00000 0.23261
29 14D+2 -0.07766 0.00000 0.00000 0.00000 0.21695
30 14D-2 0.00000 0.00000 0.00000 0.21695 0.00000
31 15D 0 0.00000 0.00000 -0.65647 0.00000 0.00000
32 15D+1 0.00000 0.00000 0.00000 0.59707 0.00000
33 15D-1 -0.12544 0.00000 0.00000 0.00000 0.59707
34 15D+2 0.44256 0.00000 0.00000 0.00000 1.04035
35 15D-2 0.00000 0.00000 0.00000 1.04035 0.00000
36 16D 0 0.00000 0.00000 0.29498 0.00000 0.00000
37 16D+1 0.00000 0.00000 0.00000 -0.06654 0.00000
38 16D-1 0.09789 0.00000 0.00000 0.00000 -0.06654
39 16D+2 -0.19237 0.00000 0.00000 0.00000 -0.30587
40 16D-2 0.00000 0.00000 0.00000 -0.30587 0.00000
41 17D 0 0.00000 0.00000 -0.15835 0.00000 0.00000
42 17D+1 0.00000 0.00000 0.00000 -0.01890 0.00000
43 17D-1 -0.06726 0.00000 0.00000 0.00000 -0.01890
44 17D+2 0.11227 0.00000 0.00000 0.00000 0.11922
45 17D-2 0.00000 0.00000 0.00000 0.11922 0.00000
46 18F 0 0.00000 0.00000 0.07841 0.00000 0.00000
47 18F+1 0.00000 0.00000 0.00000 -0.00386 0.00000
48 18F-1 -0.06036 0.00000 0.00000 0.00000 -0.00386
49 18F+2 0.12262 0.00000 0.00000 0.00000 -0.06780
50 18F-2 0.00000 0.00000 0.00000 -0.06780 0.00000
51 18F+3 0.00000 0.12848 0.00000 0.00000 0.00000
52 18F-3 0.00000 0.00000 -0.18129 0.00000 0.00000
53 19F 0 0.00000 0.00000 0.37346 0.00000 0.00000
54 19F+1 0.00000 0.00000 0.00000 -0.04649 0.00000
55 19F-1 0.31782 0.00000 0.00000 0.00000 -0.04649
56 19F+2 -0.18555 0.00000 0.00000 0.00000 -0.64531
57 19F-2 0.00000 0.00000 0.00000 -0.64531 0.00000
58 19F+3 0.00000 0.57737 0.00000 0.00000 0.00000
59 19F-3 0.00000 0.00000 -0.61114 0.00000 0.00000
60 20F 0 0.00000 0.00000 -0.11247 0.00000 0.00000
61 20F+1 0.00000 0.00000 0.00000 -0.03107 0.00000
62 20F-1 -0.12186 0.00000 0.00000 0.00000 -0.03107
63 20F+2 0.07555 0.00000 0.00000 0.00000 0.10257
64 20F-2 0.00000 0.00000 0.00000 0.10257 0.00000
65 20F+3 0.00000 -0.17464 0.00000 0.00000 0.00000
66 20F-3 0.00000 0.00000 0.22481 0.00000 0.00000
67 21G 0 0.00000 0.00000 0.05437 0.00000 0.00000
68 21G+1 0.00000 0.00000 0.00000 -0.12523 0.00000
69 21G-1 -0.11519 0.00000 0.00000 0.00000 -0.12523
70 21G+2 -0.08881 0.00000 0.00000 0.00000 0.15412
71 21G-2 0.00000 0.00000 0.00000 0.15412 0.00000
72 21G+3 0.00000 -0.47440 0.00000 0.00000 0.00000
73 21G-3 0.00000 0.00000 0.39695 0.00000 0.00000
74 21G+4 -0.10725 0.00000 0.00000 0.00000 0.16725
75 21G-4 0.00000 0.00000 0.00000 -0.16725 0.00000
76 22G 0 0.00000 0.00000 -0.06191 0.00000 0.00000
77 22G+1 0.00000 0.00000 0.00000 -0.01143 0.00000
78 22G-1 0.04692 0.00000 0.00000 0.00000 -0.01143
79 22G+2 0.00645 0.00000 0.00000 0.00000 -0.01787
80 22G-2 0.00000 0.00000 0.00000 -0.01787 0.00000
81 22G+3 0.00000 0.11392 0.00000 0.00000 0.00000
82 22G-3 0.00000 0.00000 -0.12076 0.00000 0.00000
83 22G+4 0.02024 0.00000 0.00000 0.00000 -0.11571
84 22G-4 0.00000 0.00000 0.00000 0.11571 0.00000
85 23H 0 0.00000 0.00000 0.00186 0.00000 0.00000
86 23H+1 0.00000 0.00000 0.00000 0.04634 0.00000
87 23H-1 0.03741 0.00000 0.00000 0.00000 0.04634
88 23H+2 0.02034 0.00000 0.00000 0.00000 -0.04534
89 23H-2 0.00000 0.00000 0.00000 -0.04534 0.00000
90 23H+3 0.00000 0.11796 0.00000 0.00000 0.00000
91 23H-3 0.00000 0.00000 -0.10794 0.00000 0.00000
92 23H+4 0.04234 0.00000 0.00000 0.00000 0.07684
93 23H-4 0.00000 0.00000 0.00000 -0.07684 0.00000
94 23H+5 0.00000 0.00000 0.00000 0.01298 0.00000
95 23H-5 0.02517 0.00000 0.00000 0.00000 -0.01298
96 2 H 1S 0.02032 0.00000 -0.11779 0.00000 0.16570
97 2S -0.02621 0.00000 0.16853 0.00000 -0.39201
98 3S 0.09184 0.00000 -0.76335 0.00000 1.22760
99 4S 0.34448 0.00000 -0.48713 0.00000 0.69303
100 5S -0.01519 0.00000 -0.00130 0.00000 0.03040
101 6PX 0.00000 -0.02178 0.00000 0.03057 0.00000
102 6PY -0.00502 0.00000 -0.00020 0.00000 -0.00039
103 6PZ -0.01811 0.00000 0.02287 0.00000 -0.00328
104 7PX 0.00000 -0.05085 0.00000 0.04653 0.00000
105 7PY -0.02675 0.00000 0.04679 0.00000 0.03427
106 7PZ -0.02522 0.00000 0.01541 0.00000 -0.03807
107 8PX 0.00000 0.31465 0.00000 -0.21882 0.00000
108 8PY 0.06095 0.00000 0.07457 0.00000 -0.49785
109 8PZ 0.19316 0.00000 -0.24768 0.00000 0.34241
110 9PX 0.00000 0.20950 0.00000 -0.13795 0.00000
111 9PY -0.12919 0.00000 0.17553 0.00000 -0.39807
112 9PZ 0.16919 0.00000 -0.24553 0.00000 0.27409
113 10D 0 -0.04488 0.00000 0.11999 0.00000 0.06739
114 10D+1 0.00000 -0.10972 0.00000 0.16227 0.00000
115 10D-1 0.11006 0.00000 -0.07251 0.00000 -0.02111
116 10D+2 -0.09479 0.00000 -0.02647 0.00000 0.01778
117 10D-2 0.00000 0.06448 0.00000 -0.04963 0.00000
118 11D 0 0.03484 0.00000 -0.06241 0.00000 -0.04904
119 11D+1 0.00000 0.07311 0.00000 -0.08746 0.00000
120 11D-1 -0.07360 0.00000 0.05802 0.00000 -0.04017
121 11D+2 0.05936 0.00000 0.02614 0.00000 -0.06471
122 11D-2 0.00000 -0.06053 0.00000 0.02047 0.00000
123 12D 0 0.13183 0.00000 -0.18210 0.00000 -0.01519
124 12D+1 0.00000 0.15214 0.00000 -0.10944 0.00000
125 12D-1 -0.11200 0.00000 0.06275 0.00000 -0.21898
126 12D+2 0.04997 0.00000 -0.03306 0.00000 -0.08820
127 12D-2 0.00000 -0.20472 0.00000 0.19898 0.00000
128 13F 0 -0.16542 0.00000 0.12195 0.00000 0.26069
129 13F+1 0.00000 0.07505 0.00000 0.42688 0.00000
130 13F-1 0.25665 0.00000 -0.47065 0.00000 0.03963
131 13F+2 0.33055 0.00000 -0.04784 0.00000 -0.26103
132 13F-2 0.00000 0.51313 0.00000 -0.30736 0.00000
133 13F+3 0.00000 0.08037 0.00000 -0.36345 0.00000
134 13F-3 0.44223 0.00000 0.00870 0.00000 -0.08824
135 14F 0 0.08937 0.00000 -0.08170 0.00000 -0.16227
136 14F+1 0.00000 -0.03606 0.00000 -0.21991 0.00000
137 14F-1 -0.16141 0.00000 0.26883 0.00000 -0.04882
138 14F+2 -0.16930 0.00000 0.01232 0.00000 0.10327
139 14F-2 0.00000 -0.28917 0.00000 0.16599 0.00000
140 14F+3 0.00000 -0.07201 0.00000 0.22092 0.00000
141 14F-3 -0.22743 0.00000 -0.00020 0.00000 0.06048
142 15G 0 0.20274 0.00000 0.06607 0.00000 -0.08021
143 15G+1 0.00000 -0.25355 0.00000 -0.28812 0.00000
144 15G-1 0.19177 0.00000 -0.21106 0.00000 -0.13577
145 15G+2 0.16793 0.00000 -0.32892 0.00000 0.12050
146 15G-2 0.00000 0.21791 0.00000 -0.11222 0.00000
147 15G+3 0.00000 0.14322 0.00000 -0.31335 0.00000
148 15G-3 0.12264 0.00000 0.06962 0.00000 -0.10961
149 15G+4 -0.06984 0.00000 0.01630 0.00000 0.17926
150 15G-4 0.00000 -0.09847 0.00000 0.00501 0.00000
151 3 H 1S -0.01016 0.00000 -0.11779 0.14350 -0.08285
152 2S 0.01310 0.00000 0.16853 -0.33949 0.19600
153 3S -0.04592 0.00000 -0.76335 1.06313 -0.61380
154 4S -0.17224 0.00000 -0.48713 0.60018 -0.34652
155 5S 0.00760 0.00000 -0.00130 0.02633 -0.01520
156 6PX 0.00744 0.01089 -0.00018 0.00735 0.01341
157 6PY 0.00787 0.01886 0.00010 0.01341 0.02283
158 6PZ 0.00906 0.00000 0.02287 -0.00284 0.00164
159 7PX 0.01532 0.02542 0.04052 0.03733 0.00531
160 7PY -0.00021 0.04403 -0.02339 0.00531 0.04346
161 7PZ 0.01261 0.00000 0.01541 -0.03297 0.01903
162 8PX -0.03266 -0.15732 0.06458 -0.42809 0.12082
163 8PY 0.00437 -0.27249 -0.03728 0.12082 -0.28857
164 8PZ -0.09658 0.00000 -0.24768 0.29654 -0.17121
165 9PX 0.08267 -0.10475 0.15201 -0.33304 0.11263
166 9PY 0.01400 -0.18143 -0.08777 0.11263 -0.20298
167 9PZ -0.08459 0.00000 -0.24553 0.23737 -0.13705
168 10D 0 0.02244 0.00000 0.11999 0.05836 -0.03369
169 10D+1 -0.01536 0.05486 -0.06279 0.02474 0.07940
170 10D-1 0.08346 0.09502 0.03625 0.07940 0.11642
171 10D+2 -0.10424 -0.05584 0.01324 -0.02919 -0.03278
172 10D-2 -0.00546 -0.03224 -0.02293 0.00093 -0.02919
173 11D 0 -0.01742 0.00000 -0.06241 -0.04247 0.02452
174 11D+1 0.01632 -0.03655 0.05024 -0.05199 -0.02048
175 11D-1 -0.04533 -0.06331 -0.02901 -0.02048 -0.07563
176 11D+2 0.05900 0.05242 -0.01307 0.03688 -0.00082
177 11D-2 -0.00021 0.03027 0.02263 -0.04341 0.03688
178 12D 0 -0.06591 0.00000 -0.18210 -0.01316 0.00760
179 12D+1 0.04056 -0.07607 0.05435 -0.19159 0.04743
180 12D-1 -0.04176 -0.13175 -0.03138 0.04743 -0.13682
181 12D+2 0.05597 0.17730 0.01653 0.12435 0.12718
182 12D-2 0.00346 0.10236 -0.02863 -0.01641 0.12435
183 13F 0 0.08271 0.00000 0.12195 0.22577 -0.13035
184 13F+1 -0.11722 -0.03752 -0.40759 0.13645 0.16768
185 13F-1 0.05363 -0.06499 0.23532 0.16768 0.33007
186 13F+2 -0.17013 -0.44438 0.02392 -0.02006 -0.29578
187 13F-2 -0.28907 -0.25656 -0.04143 -0.27261 -0.02006
188 13F+3 0.17406 0.08037 0.00000 0.18172 0.31475
189 13F-3 -0.22112 0.00000 0.00870 -0.07641 0.04412
190 14F 0 -0.04469 0.00000 -0.08170 -0.14053 0.08114
191 14F+1 0.07601 0.01803 0.23281 -0.09159 -0.07408
192 14F-1 -0.02975 0.03123 -0.13442 -0.07408 -0.17714
193 14F+2 0.08603 0.25043 -0.00616 0.02716 0.15031
194 14F-2 0.14741 0.14459 0.01067 0.11895 0.02716
195 14F+3 -0.10521 -0.07201 0.00000 -0.11046 -0.19132
196 14F-3 0.11372 0.00000 -0.00020 0.05238 -0.03024
197 15G 0 -0.10137 0.00000 0.06607 -0.06946 0.04011
198 15G+1 -0.04100 0.12678 -0.18279 -0.17386 -0.06597
199 15G-1 0.12075 0.21958 0.10553 -0.06597 -0.25003
200 15G+2 0.07901 -0.18871 0.16446 -0.10077 -0.05404
201 15G-2 -0.05134 -0.10895 -0.28486 0.06232 -0.10077
202 15G+3 0.18343 0.14322 0.00000 0.15667 0.27137
203 15G-3 -0.06132 0.00000 0.06962 -0.09492 0.05480
204 15G+4 -0.24405 -0.08528 -0.00815 -0.07979 0.04106
205 15G-4 0.10058 0.04924 -0.01411 -0.13319 0.07979
206 4 H 1S -0.01016 0.00000 -0.11779 -0.14350 -0.08285
207 2S 0.01310 0.00000 0.16853 0.33949 0.19600
208 3S -0.04592 0.00000 -0.76335 -1.06313 -0.61380
209 4S -0.17224 0.00000 -0.48713 -0.60018 -0.34652
210 5S 0.00760 0.00000 -0.00130 -0.02633 -0.01520
211 6PX -0.00744 0.01089 0.00018 0.00735 -0.01341
212 6PY 0.00787 -0.01886 0.00010 -0.01341 0.02283
213 6PZ 0.00906 0.00000 0.02287 0.00284 0.00164
214 7PX -0.01532 0.02542 -0.04052 0.03733 -0.00531
215 7PY -0.00021 -0.04403 -0.02339 -0.00531 0.04346
216 7PZ 0.01261 0.00000 0.01541 0.03297 0.01903
217 8PX 0.03266 -0.15732 -0.06458 -0.42809 -0.12082
218 8PY 0.00437 0.27249 -0.03728 -0.12082 -0.28857
219 8PZ -0.09658 0.00000 -0.24768 -0.29654 -0.17121
220 9PX -0.08267 -0.10475 -0.15201 -0.33304 -0.11263
221 9PY 0.01400 0.18143 -0.08777 -0.11263 -0.20298
222 9PZ -0.08459 0.00000 -0.24553 -0.23737 -0.13705
223 10D 0 0.02244 0.00000 0.11999 -0.05836 -0.03369
224 10D+1 0.01536 0.05486 0.06279 0.02474 -0.07940
225 10D-1 0.08346 -0.09502 0.03625 -0.07940 0.11642
226 10D+2 -0.10424 0.05584 0.01324 0.02919 -0.03278
227 10D-2 0.00546 -0.03224 0.02293 0.00093 0.02919
228 11D 0 -0.01742 0.00000 -0.06241 0.04247 0.02452
229 11D+1 -0.01632 -0.03655 -0.05024 -0.05199 0.02048
230 11D-1 -0.04533 0.06331 -0.02901 0.02048 -0.07563
231 11D+2 0.05900 -0.05242 -0.01307 -0.03688 -0.00082
232 11D-2 0.00021 0.03027 -0.02263 -0.04341 -0.03688
233 12D 0 -0.06591 0.00000 -0.18210 0.01316 0.00760
234 12D+1 -0.04056 -0.07607 -0.05435 -0.19159 -0.04743
235 12D-1 -0.04176 0.13175 -0.03138 -0.04743 -0.13682
236 12D+2 0.05597 -0.17730 0.01653 -0.12435 0.12718
237 12D-2 -0.00346 0.10236 0.02863 -0.01641 -0.12435
238 13F 0 0.08271 0.00000 0.12195 -0.22577 -0.13035
239 13F+1 0.11722 -0.03752 0.40759 0.13645 -0.16768
240 13F-1 0.05363 0.06499 0.23532 -0.16768 0.33007
241 13F+2 -0.17013 0.44438 0.02392 0.02006 -0.29578
242 13F-2 0.28907 -0.25656 0.04143 -0.27261 0.02006
243 13F+3 -0.17406 0.08037 0.00000 0.18172 -0.31475
244 13F-3 -0.22112 0.00000 0.00870 0.07641 0.04412
245 14F 0 -0.04469 0.00000 -0.08170 0.14053 0.08114
246 14F+1 -0.07601 0.01803 -0.23281 -0.09159 0.07408
247 14F-1 -0.02975 -0.03123 -0.13442 0.07408 -0.17714
248 14F+2 0.08603 -0.25043 -0.00616 -0.02716 0.15031
249 14F-2 -0.14741 0.14459 -0.01067 0.11895 -0.02716
250 14F+3 0.10521 -0.07201 0.00000 -0.11046 0.19132
251 14F-3 0.11372 0.00000 -0.00020 -0.05238 -0.03024
252 15G 0 -0.10137 0.00000 0.06607 0.06946 0.04011
253 15G+1 0.04100 0.12678 0.18279 -0.17386 0.06597
254 15G-1 0.12075 -0.21958 0.10553 0.06597 -0.25003
255 15G+2 0.07901 0.18871 0.16446 0.10077 -0.05404
256 15G-2 0.05134 -0.10895 0.28486 0.06232 0.10077
257 15G+3 -0.18343 0.14322 0.00000 0.15667 -0.27137
258 15G-3 -0.06132 0.00000 0.06962 0.09492 0.05480
259 15G+4 -0.24405 0.08528 -0.00815 0.07979 0.04106
260 15G-4 -0.10058 0.04924 0.01411 -0.13319 -0.07979
206 207 208 209 210
(E)--V (E)--V (A1)--V (E)--V (E)--V
Eigenvalues -- 12.91258 12.91258 13.02415 13.02539 13.02539
1 1 P 1S 0.00000 0.00000 -0.00782 0.00000 0.00000
2 2S 0.00000 0.00000 0.00170 0.00000 0.00000
3 3S 0.00000 0.00000 -0.16183 0.00000 0.00000
4 4S 0.00000 0.00000 -0.42323 0.00000 0.00000
5 5S 0.00000 0.00000 -0.54679 0.00000 0.00000
6 6S 0.00000 0.00000 2.86910 0.00000 0.00000
7 7S 0.00000 0.00000 0.07886 0.00000 0.00000
8 8PX -0.07642 0.00000 0.00000 0.02217 0.00000
9 8PY 0.00000 -0.07642 0.00000 0.00000 0.02217
10 8PZ 0.00000 0.00000 -0.04695 0.00000 0.00000
11 9PX -0.13600 0.00000 0.00000 -0.02284 0.00000
12 9PY 0.00000 -0.13600 0.00000 0.00000 -0.02284
13 9PZ 0.00000 0.00000 -0.01516 0.00000 0.00000
14 10PX -0.33168 0.00000 0.00000 -0.33675 0.00000
15 10PY 0.00000 -0.33168 0.00000 0.00000 -0.33675
16 10PZ 0.00000 0.00000 0.31053 0.00000 0.00000
17 11PX 0.71734 0.00000 0.00000 0.66468 0.00000
18 11PY 0.00000 0.71734 0.00000 0.00000 0.66468
19 11PZ 0.00000 0.00000 -0.64419 0.00000 0.00000
20 12PX 0.11255 0.00000 0.00000 1.22650 0.00000
21 12PY 0.00000 0.11255 0.00000 0.00000 1.22650
22 12PZ 0.00000 0.00000 -1.24081 0.00000 0.00000
23 13PX 0.00821 0.00000 0.00000 -0.02323 0.00000
24 13PY 0.00000 0.00821 0.00000 0.00000 -0.02323
25 13PZ 0.00000 0.00000 0.06662 0.00000 0.00000
26 14D 0 0.00000 0.00000 0.10946 0.00000 0.00000
27 14D+1 -0.18043 0.00000 0.00000 -0.46645 0.00000
28 14D-1 0.00000 -0.18043 0.00000 0.00000 -0.46645
29 14D+2 0.00000 0.34481 0.00000 0.00000 -0.12628
30 14D-2 0.34481 0.00000 0.00000 -0.12628 0.00000
31 15D 0 0.00000 0.00000 0.13574 0.00000 0.00000
32 15D+1 -0.52444 0.00000 0.00000 -0.77195 0.00000
33 15D-1 0.00000 -0.52444 0.00000 0.00000 -0.77195
34 15D+2 0.00000 0.24400 0.00000 0.00000 -0.22814
35 15D-2 0.24400 0.00000 0.00000 -0.22814 0.00000
36 16D 0 0.00000 0.00000 -0.02567 0.00000 0.00000
37 16D+1 -0.03556 0.00000 0.00000 0.11433 0.00000
38 16D-1 0.00000 -0.03556 0.00000 0.00000 0.11433
39 16D+2 0.00000 -0.25123 0.00000 0.00000 -0.03721
40 16D-2 -0.25123 0.00000 0.00000 -0.03721 0.00000
41 17D 0 0.00000 0.00000 -0.01812 0.00000 0.00000
42 17D+1 0.09490 0.00000 0.00000 0.01279 0.00000
43 17D-1 0.00000 0.09490 0.00000 0.00000 0.01279
44 17D+2 0.00000 0.13859 0.00000 0.00000 0.04727
45 17D-2 0.13859 0.00000 0.00000 0.04727 0.00000
46 18F 0 0.00000 0.00000 0.08928 0.00000 0.00000
47 18F+1 0.19869 0.00000 0.00000 0.10907 0.00000
48 18F-1 0.00000 0.19869 0.00000 0.00000 0.10907
49 18F+2 0.00000 -0.23579 0.00000 0.00000 0.00949
50 18F-2 -0.23579 0.00000 0.00000 0.00949 0.00000
51 18F+3 0.00000 0.00000 0.00000 0.00000 0.00000
52 18F-3 0.00000 0.00000 -0.00245 0.00000 0.00000
53 19F 0 0.00000 0.00000 0.16432 0.00000 0.00000
54 19F+1 0.28595 0.00000 0.00000 0.20755 0.00000
55 19F-1 0.00000 0.28595 0.00000 0.00000 0.20755
56 19F+2 0.00000 -0.21971 0.00000 0.00000 0.16888
57 19F-2 -0.21971 0.00000 0.00000 0.16888 0.00000
58 19F+3 0.00000 0.00000 0.00000 0.00000 0.00000
59 19F-3 0.00000 0.00000 -0.30424 0.00000 0.00000
60 20F 0 0.00000 0.00000 -0.00440 0.00000 0.00000
61 20F+1 -0.00947 0.00000 0.00000 -0.03493 0.00000
62 20F-1 0.00000 -0.00947 0.00000 0.00000 -0.03493
63 20F+2 0.00000 0.16869 0.00000 0.00000 0.04753
64 20F-2 0.16869 0.00000 0.00000 0.04753 0.00000
65 20F+3 0.00000 0.00000 0.00000 0.00000 0.00000
66 20F-3 0.00000 0.00000 -0.01316 0.00000 0.00000
67 21G 0 0.00000 0.00000 -0.22432 0.00000 0.00000
68 21G+1 -0.23997 0.00000 0.00000 -0.08915 0.00000
69 21G-1 0.00000 -0.23997 0.00000 0.00000 -0.08915
70 21G+2 0.00000 0.22314 0.00000 0.00000 -0.01340
71 21G-2 0.22314 0.00000 0.00000 -0.01340 0.00000
72 21G+3 0.00000 0.00000 0.00000 0.00000 0.00000
73 21G-3 0.00000 0.00000 0.03567 0.00000 0.00000
74 21G+4 0.00000 -0.08692 0.00000 0.00000 0.10818
75 21G-4 0.08692 0.00000 0.00000 -0.10818 0.00000
76 22G 0 0.00000 0.00000 -0.05424 0.00000 0.00000
77 22G+1 0.08125 0.00000 0.00000 0.16460 0.00000
78 22G-1 0.00000 0.08125 0.00000 0.00000 0.16460
79 22G+2 0.00000 -0.18153 0.00000 0.00000 0.00861
80 22G-2 -0.18153 0.00000 0.00000 0.00861 0.00000
81 22G+3 0.00000 0.00000 0.00000 0.00000 0.00000
82 22G-3 0.00000 0.00000 0.15224 0.00000 0.00000
83 22G+4 0.00000 0.08527 0.00000 0.00000 0.10749
84 22G-4 -0.08527 0.00000 0.00000 -0.10749 0.00000
85 23H 0 0.00000 0.00000 0.22312 0.00000 0.00000
86 23H+1 0.00209 0.00000 0.00000 -0.02938 0.00000
87 23H-1 0.00000 0.00209 0.00000 0.00000 -0.02938
88 23H+2 0.00000 0.02351 0.00000 0.00000 -0.14298
89 23H-2 0.02351 0.00000 0.00000 -0.14298 0.00000
90 23H+3 0.00000 0.00000 0.00000 0.00000 0.00000
91 23H-3 0.00000 0.00000 -0.03354 0.00000 0.00000
92 23H+4 0.00000 -0.04520 0.00000 0.00000 -0.14847
93 23H-4 0.04520 0.00000 0.00000 0.14847 0.00000
94 23H+5 0.10135 0.00000 0.00000 0.07792 0.00000
95 23H-5 0.00000 -0.10135 0.00000 0.00000 -0.07792
96 2 H 1S 0.00000 0.08689 0.03233 0.00000 -0.09331
97 2S 0.00000 0.02633 0.06823 0.00000 0.28311
98 3S 0.00000 -0.08156 -0.66702 0.00000 -0.93519
99 4S 0.00000 -0.23269 -0.60342 0.00000 -0.92586
100 5S 0.00000 0.04772 0.04810 0.00000 0.04147
101 6PX 0.01252 0.00000 0.00000 -0.01751 0.00000
102 6PY 0.00000 0.03538 0.02486 0.00000 -0.01333
103 6PZ 0.00000 -0.01628 -0.00154 0.00000 -0.04657
104 7PX 0.04988 0.00000 0.00000 0.03939 0.00000
105 7PY 0.00000 -0.12193 -0.05898 0.00000 -0.04473
106 7PZ 0.00000 0.01822 0.01053 0.00000 0.02662
107 8PX -0.22165 0.00000 0.00000 -0.17131 0.00000
108 8PY 0.00000 0.37204 0.38992 0.00000 0.42520
109 8PZ 0.00000 0.00068 -0.11098 0.00000 -0.24472
110 9PX -0.32923 0.00000 0.00000 -0.14401 0.00000
111 9PY 0.00000 0.21378 0.29014 0.00000 0.46000
112 9PZ 0.00000 0.09500 -0.08390 0.00000 -0.13337
113 10D 0 0.00000 0.16249 0.13774 0.00000 -0.23442
114 10D+1 -0.10633 0.00000 0.00000 -0.07639 0.00000
115 10D-1 0.00000 0.10096 0.03276 0.00000 0.19577
116 10D+2 0.00000 0.23843 0.11228 0.00000 -0.01315
117 10D-2 -0.08873 0.00000 0.00000 0.22671 0.00000
118 11D 0 0.00000 -0.08516 -0.06151 0.00000 0.11741
119 11D+1 0.04533 0.00000 0.00000 0.02643 0.00000
120 11D-1 0.00000 -0.03080 0.01457 0.00000 -0.03859
121 11D+2 0.00000 -0.11172 -0.01927 0.00000 0.03395
122 11D-2 0.05979 0.00000 0.00000 -0.11292 0.00000
123 12D 0 0.00000 0.14532 0.08349 0.00000 0.06021
124 12D+1 -0.00195 0.00000 0.00000 -0.04550 0.00000
125 12D-1 0.00000 0.04218 0.05064 0.00000 0.10084
126 12D+2 0.00000 0.18118 0.09664 0.00000 0.15575
127 12D-2 0.29083 0.00000 0.00000 0.14731 0.00000
128 13F 0 0.00000 0.21312 0.31900 0.00000 -0.01272
129 13F+1 -0.34486 0.00000 0.00000 0.20408 0.00000
130 13F-1 0.00000 -0.17403 -0.01957 0.00000 0.55903
131 13F+2 0.00000 0.39367 -0.06371 0.00000 0.17815
132 13F-2 0.16901 0.00000 0.00000 0.29919 0.00000
133 13F+3 -0.40590 0.00000 0.00000 0.17146 0.00000
134 13F-3 0.00000 -0.17714 -0.15948 0.00000 -0.00085
135 14F 0 0.00000 -0.07020 -0.16094 0.00000 0.02727
136 14F+1 0.18848 0.00000 0.00000 -0.12368 0.00000
137 14F-1 0.00000 0.05624 -0.02812 0.00000 -0.25553
138 14F+2 0.00000 -0.15983 0.07765 0.00000 -0.04669
139 14F-2 -0.06291 0.00000 0.00000 -0.13024 0.00000
140 14F+3 0.28155 0.00000 0.00000 -0.02279 0.00000
141 14F-3 0.00000 0.04168 0.05814 0.00000 -0.01533
142 15G 0 0.00000 0.23311 -0.33794 0.00000 0.20778
143 15G+1 -0.25354 0.00000 0.00000 -0.29549 0.00000
144 15G-1 0.00000 -0.18158 -0.02052 0.00000 0.07046
145 15G+2 0.00000 -0.05380 -0.01023 0.00000 0.13142
146 15G-2 0.16916 0.00000 0.00000 0.11155 0.00000
147 15G+3 -0.08589 0.00000 0.00000 0.01411 0.00000
148 15G-3 0.00000 -0.06502 -0.34437 0.00000 -0.04809
149 15G+4 0.00000 -0.17379 0.08000 0.00000 0.16398
150 15G-4 -0.01710 0.00000 0.00000 -0.26828 0.00000
151 3 H 1S 0.07525 -0.04345 0.03233 -0.08081 0.04666
152 2S 0.02280 -0.01316 0.06823 0.24518 -0.14155
153 3S -0.07064 0.04078 -0.66702 -0.80990 0.46759
154 4S -0.20151 0.11634 -0.60342 -0.80182 0.46293
155 5S 0.04133 -0.02386 0.04810 0.03591 -0.02073
156 6PX 0.02967 -0.00990 0.02153 -0.01437 -0.00181
157 6PY -0.00990 0.01823 -0.01243 -0.00181 -0.01647
158 6PZ -0.01410 0.00814 -0.00154 -0.04034 0.02329
159 7PX -0.07898 0.07440 -0.05107 -0.02370 0.03642
160 7PY 0.07440 0.00693 0.02949 0.03642 0.01836
161 7PZ 0.01578 -0.00911 0.01053 0.02306 -0.01331
162 8PX 0.22362 -0.25708 0.33768 0.27607 -0.25830
163 8PY -0.25708 -0.07322 -0.19496 -0.25830 -0.02218
164 8PZ 0.00058 -0.00034 -0.11098 -0.21193 0.12236
165 9PX 0.07802 -0.23513 0.25127 0.30900 -0.26154
166 9PY -0.23513 -0.19348 -0.14507 -0.26154 0.00700
167 9PZ 0.08227 -0.04750 -0.08390 -0.11550 0.06668
168 10D 0 0.14072 -0.08124 0.13774 -0.20301 0.11721
169 10D+1 0.04914 -0.08976 0.02837 0.12773 -0.11785
170 10D-1 -0.08976 -0.05451 -0.01638 -0.11785 -0.00835
171 10D+2 -0.14167 -0.00694 -0.05614 0.10386 0.16674
172 10D-2 0.15664 -0.14167 0.09724 0.04682 0.10386
173 11D 0 -0.07375 0.04258 -0.06151 0.10168 -0.05871
174 11D+1 -0.01177 0.03297 0.01262 -0.02234 0.02815
175 11D-1 0.03297 0.02630 -0.00729 0.02815 0.01017
176 11D+2 0.07427 0.01691 0.00964 -0.06360 -0.07620
177 11D-2 -0.06884 0.07427 -0.01669 -0.00277 -0.06360
178 12D 0 0.12585 -0.07266 0.08349 0.05215 -0.03011
179 12D+1 0.03115 -0.01911 0.04385 0.06426 -0.06337
180 12D-1 -0.01911 0.00908 -0.02532 -0.06337 -0.00891
181 12D+2 0.04748 0.26342 -0.04832 -0.00365 0.14942
182 12D-2 0.20859 0.04748 0.08369 0.15364 -0.00365
183 13F 0 0.18457 -0.10656 0.31900 -0.01102 0.00636
184 13F+1 -0.21674 -0.07397 -0.01695 0.47029 -0.15370
185 13F-1 -0.07397 -0.30216 0.00979 -0.15370 0.29282
186 13F+2 -0.09728 0.22517 0.03186 0.05241 0.26893
187 13F-2 0.33751 -0.09728 -0.05518 0.20841 0.05241
188 13F+3 0.20295 0.35152 0.00000 -0.08573 -0.14849
189 13F-3 -0.15341 0.08857 -0.15948 -0.00074 0.00043
190 14F 0 -0.06080 0.03510 -0.16094 0.02362 -0.01364
191 14F+1 0.08930 0.05726 -0.02436 -0.22257 0.05709
192 14F-1 0.05726 0.15542 0.01406 0.05709 -0.15664
193 14F+2 0.04197 -0.08714 -0.03883 -0.03618 -0.10935
194 14F-2 -0.13560 0.04197 0.06725 -0.06758 -0.03618
195 14F+3 -0.14078 -0.24383 0.00000 0.01140 0.01974
196 14F-3 0.03609 -0.02084 0.05814 -0.01328 0.00767
197 15G 0 0.20188 -0.11655 -0.33794 0.17994 -0.10389
198 15G+1 -0.19957 -0.03116 -0.01777 -0.02103 -0.15846
199 15G-1 -0.03116 -0.23555 0.01026 -0.15846 -0.20400
200 15G+2 0.09655 0.11342 0.00512 -0.00860 0.11652
201 15G-2 0.00194 0.09655 -0.00886 0.12645 -0.00860
202 15G+3 0.04295 0.07438 0.00000 -0.00706 -0.01222
203 15G-3 -0.05631 0.03251 -0.34437 -0.04164 0.02404
204 15G+4 0.08266 -0.03063 -0.04000 0.04516 0.24221
205 15G-4 0.12607 -0.08266 -0.06928 -0.19006 -0.04516
206 4 H 1S -0.07525 -0.04345 0.03233 0.08081 0.04666
207 2S -0.02280 -0.01316 0.06823 -0.24518 -0.14155
208 3S 0.07064 0.04078 -0.66702 0.80990 0.46759
209 4S 0.20151 0.11634 -0.60342 0.80182 0.46293
210 5S -0.04133 -0.02386 0.04810 -0.03591 -0.02073
211 6PX 0.02967 0.00990 -0.02153 -0.01437 0.00181
212 6PY 0.00990 0.01823 -0.01243 0.00181 -0.01647
213 6PZ 0.01410 0.00814 -0.00154 0.04034 0.02329
214 7PX -0.07898 -0.07440 0.05107 -0.02370 -0.03642
215 7PY -0.07440 0.00693 0.02949 -0.03642 0.01836
216 7PZ -0.01578 -0.00911 0.01053 -0.02306 -0.01331
217 8PX 0.22362 0.25708 -0.33768 0.27607 0.25830
218 8PY 0.25708 -0.07322 -0.19496 0.25830 -0.02218
219 8PZ -0.00058 -0.00034 -0.11098 0.21193 0.12236
220 9PX 0.07802 0.23513 -0.25127 0.30900 0.26154
221 9PY 0.23513 -0.19348 -0.14507 0.26154 0.00700
222 9PZ -0.08227 -0.04750 -0.08390 0.11550 0.06668
223 10D 0 -0.14072 -0.08124 0.13774 0.20301 0.11721
224 10D+1 0.04914 0.08976 -0.02837 0.12773 0.11785
225 10D-1 0.08976 -0.05451 -0.01638 0.11785 -0.00835
226 10D+2 0.14167 -0.00694 -0.05614 -0.10386 0.16674
227 10D-2 0.15664 0.14167 -0.09724 0.04682 -0.10386
228 11D 0 0.07375 0.04258 -0.06151 -0.10168 -0.05871
229 11D+1 -0.01177 -0.03297 -0.01262 -0.02234 -0.02815
230 11D-1 -0.03297 0.02630 -0.00729 -0.02815 0.01017
231 11D+2 -0.07427 0.01691 0.00964 0.06360 -0.07620
232 11D-2 -0.06884 -0.07427 0.01669 -0.00277 0.06360
233 12D 0 -0.12585 -0.07266 0.08349 -0.05215 -0.03011
234 12D+1 0.03115 0.01911 -0.04385 0.06426 0.06337
235 12D-1 0.01911 0.00908 -0.02532 0.06337 -0.00891
236 12D+2 -0.04748 0.26342 -0.04832 0.00365 0.14942
237 12D-2 0.20859 -0.04748 -0.08369 0.15364 0.00365
238 13F 0 -0.18457 -0.10656 0.31900 0.01102 0.00636
239 13F+1 -0.21674 0.07397 0.01695 0.47029 0.15370
240 13F-1 0.07397 -0.30216 0.00979 0.15370 0.29282
241 13F+2 0.09728 0.22517 0.03186 -0.05241 0.26893
242 13F-2 0.33751 0.09728 0.05518 0.20841 -0.05241
243 13F+3 0.20295 -0.35152 0.00000 -0.08573 0.14849
244 13F-3 0.15341 0.08857 -0.15948 0.00074 0.00043
245 14F 0 0.06080 0.03510 -0.16094 -0.02362 -0.01364
246 14F+1 0.08930 -0.05726 0.02436 -0.22257 -0.05709
247 14F-1 -0.05726 0.15542 0.01406 -0.05709 -0.15664
248 14F+2 -0.04197 -0.08714 -0.03883 0.03618 -0.10935
249 14F-2 -0.13560 -0.04197 -0.06725 -0.06758 0.03618
250 14F+3 -0.14078 0.24383 0.00000 0.01140 -0.01974
251 14F-3 -0.03609 -0.02084 0.05814 0.01328 0.00767
252 15G 0 -0.20188 -0.11655 -0.33794 -0.17994 -0.10389
253 15G+1 -0.19957 0.03116 0.01777 -0.02103 0.15846
254 15G-1 0.03116 -0.23555 0.01026 0.15846 -0.20400
255 15G+2 -0.09655 0.11342 0.00512 0.00860 0.11652
256 15G-2 0.00194 -0.09655 0.00886 0.12645 0.00860
257 15G+3 0.04295 -0.07438 0.00000 -0.00706 0.01222
258 15G-3 0.05631 0.03251 -0.34437 0.04164 0.02404
259 15G+4 -0.08266 -0.03063 -0.04000 -0.04516 0.24221
260 15G-4 0.12607 0.08266 0.06928 -0.19006 0.04516
211 212 213 214 215
(A2)--V (E)--V (E)--V (A1)--V (E)--V
Eigenvalues -- 13.05510 13.12149 13.12149 13.17112 13.46492
1 1 P 1S 0.00000 0.00000 0.00000 -0.02188 0.00000
2 2S 0.00000 0.00000 0.00000 0.00903 0.00000
3 3S 0.00000 0.00000 0.00000 -0.44851 0.00000
4 4S 0.00000 0.00000 0.00000 -1.13731 0.00000
5 5S 0.00000 0.00000 0.00000 -1.36833 0.00000
6 6S 0.00000 0.00000 0.00000 7.91182 0.00000
7 7S 0.00000 0.00000 0.00000 1.08046 0.00000
8 8PX 0.00000 -0.03490 0.00000 0.00000 0.20274
9 8PY 0.00000 0.00000 -0.03490 0.00000 0.00000
10 8PZ 0.00000 0.00000 0.00000 -0.09062 0.00000
11 9PX 0.00000 -0.09876 0.00000 0.00000 0.25375
12 9PY 0.00000 0.00000 -0.09876 0.00000 0.00000
13 9PZ 0.00000 0.00000 0.00000 -0.01550 0.00000
14 10PX 0.00000 -0.35637 0.00000 0.00000 0.11223
15 10PY 0.00000 0.00000 -0.35637 0.00000 0.00000
16 10PZ 0.00000 0.00000 0.00000 0.70747 0.00000
17 11PX 0.00000 0.50193 0.00000 0.00000 -0.45123
18 11PY 0.00000 0.00000 0.50193 0.00000 0.00000
19 11PZ 0.00000 0.00000 0.00000 -1.53936 0.00000
20 12PX 0.00000 2.08229 0.00000 0.00000 2.19792
21 12PY 0.00000 0.00000 2.08229 0.00000 0.00000
22 12PZ 0.00000 0.00000 0.00000 -3.25775 0.00000
23 13PX 0.00000 0.05757 0.00000 0.00000 0.17476
24 13PY 0.00000 0.00000 0.05757 0.00000 0.00000
25 13PZ 0.00000 0.00000 0.00000 -0.07148 0.00000
26 14D 0 0.00000 0.00000 0.00000 0.15622 0.00000
27 14D+1 0.00000 -0.67461 0.00000 0.00000 -0.99028
28 14D-1 0.00000 0.00000 -0.67461 0.00000 0.00000
29 14D+2 0.00000 0.00000 -0.26105 0.00000 0.00000
30 14D-2 0.00000 -0.26105 0.00000 0.00000 -0.75402
31 15D 0 0.00000 0.00000 0.00000 -0.07514 0.00000
32 15D+1 0.00000 -0.17954 0.00000 0.00000 -0.18132
33 15D-1 0.00000 0.00000 -0.17954 0.00000 0.00000
34 15D+2 0.00000 0.00000 0.08279 0.00000 0.00000
35 15D-2 0.00000 0.08279 0.00000 0.00000 -0.24901
36 16D 0 0.00000 0.00000 0.00000 0.01073 0.00000
37 16D+1 0.00000 -0.08874 0.00000 0.00000 0.29598
38 16D-1 0.00000 0.00000 -0.08874 0.00000 0.00000
39 16D+2 0.00000 0.00000 -0.15468 0.00000 0.00000
40 16D-2 0.00000 -0.15468 0.00000 0.00000 0.24697
41 17D 0 0.00000 0.00000 0.00000 -0.00003 0.00000
42 17D+1 0.00000 0.10875 0.00000 0.00000 -0.12095
43 17D-1 0.00000 0.00000 0.10875 0.00000 0.00000
44 17D+2 0.00000 0.00000 0.12167 0.00000 0.00000
45 17D-2 0.00000 0.12167 0.00000 0.00000 -0.09920
46 18F 0 0.00000 0.00000 0.00000 0.14392 0.00000
47 18F+1 0.00000 -0.00928 0.00000 0.00000 0.22322
48 18F-1 0.00000 0.00000 -0.00928 0.00000 0.00000
49 18F+2 0.00000 0.00000 -0.05369 0.00000 0.00000
50 18F-2 0.00000 -0.05369 0.00000 0.00000 0.45425
51 18F+3 -0.17345 0.00000 0.00000 0.00000 0.00000
52 18F-3 0.00000 0.00000 0.00000 -0.16547 0.00000
53 19F 0 0.00000 0.00000 0.00000 0.44314 0.00000
54 19F+1 0.00000 -0.40211 0.00000 0.00000 -0.06074
55 19F-1 0.00000 0.00000 -0.40211 0.00000 0.00000
56 19F+2 0.00000 0.00000 -0.50691 0.00000 0.00000
57 19F-2 0.00000 -0.50691 0.00000 0.00000 0.18548
58 19F+3 -0.43628 0.00000 0.00000 0.00000 0.00000
59 19F-3 0.00000 0.00000 0.00000 -0.41157 0.00000
60 20F 0 0.00000 0.00000 0.00000 0.10824 0.00000
61 20F+1 0.00000 0.11960 0.00000 0.00000 -0.04644
62 20F-1 0.00000 0.00000 0.11960 0.00000 0.00000
63 20F+2 0.00000 0.00000 0.21818 0.00000 0.00000
64 20F-2 0.00000 0.21818 0.00000 0.00000 -0.11279
65 20F+3 0.07771 0.00000 0.00000 0.00000 0.00000
66 20F-3 0.00000 0.00000 0.00000 -0.11718 0.00000
67 21G 0 0.00000 0.00000 0.00000 -0.04611 0.00000
68 21G+1 0.00000 0.20102 0.00000 0.00000 -0.04306
69 21G-1 0.00000 0.00000 0.20102 0.00000 0.00000
70 21G+2 0.00000 0.00000 0.45074 0.00000 0.00000
71 21G-2 0.00000 0.45074 0.00000 0.00000 -0.26503
72 21G+3 0.33927 0.00000 0.00000 0.00000 0.00000
73 21G-3 0.00000 0.00000 0.00000 0.08696 0.00000
74 21G+4 0.00000 0.00000 0.16308 0.00000 0.00000
75 21G-4 0.00000 -0.16308 0.00000 0.00000 0.03561
76 22G 0 0.00000 0.00000 0.00000 -0.21529 0.00000
77 22G+1 0.00000 0.04500 0.00000 0.00000 -0.02946
78 22G-1 0.00000 0.00000 0.04500 0.00000 0.00000
79 22G+2 0.00000 0.00000 -0.07412 0.00000 0.00000
80 22G-2 0.00000 -0.07412 0.00000 0.00000 -0.01196
81 22G+3 0.10968 0.00000 0.00000 0.00000 0.00000
82 22G-3 0.00000 0.00000 0.00000 0.34203 0.00000
83 22G+4 0.00000 0.00000 0.07716 0.00000 0.00000
84 22G-4 0.00000 -0.07716 0.00000 0.00000 0.04983
85 23H 0 0.00000 0.00000 0.00000 -0.00821 0.00000
86 23H+1 0.00000 -0.06579 0.00000 0.00000 0.13091
87 23H-1 0.00000 0.00000 -0.06579 0.00000 0.00000
88 23H+2 0.00000 0.00000 -0.06395 0.00000 0.00000
89 23H-2 0.00000 -0.06395 0.00000 0.00000 0.16951
90 23H+3 -0.22621 0.00000 0.00000 0.00000 0.00000
91 23H-3 0.00000 0.00000 0.00000 -0.17128 0.00000
92 23H+4 0.00000 0.00000 -0.09611 0.00000 0.00000
93 23H-4 0.00000 0.09611 0.00000 0.00000 -0.19552
94 23H+5 0.00000 -0.11027 0.00000 0.00000 0.17675
95 23H-5 0.00000 0.00000 0.11027 0.00000 0.00000
96 2 H 1S 0.00000 0.00000 -0.24659 -0.15008 0.00000
97 2S 0.00000 0.00000 0.45573 0.51983 0.00000
98 3S 0.00000 0.00000 -0.27183 -1.59625 0.00000
99 4S 0.00000 0.00000 -1.83406 -2.13929 0.00000
100 5S 0.00000 0.00000 0.08450 0.00237 0.00000
101 6PX -0.02364 0.02396 0.00000 0.00000 0.00377
102 6PY 0.00000 0.00000 0.02951 0.04395 0.00000
103 6PZ 0.00000 0.00000 -0.00806 -0.02628 0.00000
104 7PX 0.06299 0.07245 0.00000 0.00000 -0.02487
105 7PY 0.00000 0.00000 0.02360 -0.11156 0.00000
106 7PZ 0.00000 0.00000 0.07484 0.05744 0.00000
107 8PX -0.30986 -0.34743 0.00000 0.00000 0.16101
108 8PY 0.00000 0.00000 -0.20730 0.70650 0.00000
109 8PZ 0.00000 0.00000 -0.36015 -0.41252 0.00000
110 9PX -0.13840 -0.37484 0.00000 0.00000 0.05847
111 9PY 0.00000 0.00000 0.59188 1.02609 0.00000
112 9PZ 0.00000 0.00000 -0.63075 -0.44884 0.00000
113 10D 0 0.00000 0.00000 -0.12117 0.05246 0.00000
114 10D+1 0.01161 0.04257 0.00000 0.00000 -0.05009
115 10D-1 0.00000 0.00000 0.24988 0.21867 0.00000
116 10D+2 0.00000 0.00000 0.05100 0.17190 0.00000
117 10D-2 0.37322 0.12279 0.00000 0.00000 -0.11614
118 11D 0 0.00000 0.00000 0.05733 -0.02453 0.00000
119 11D+1 -0.02388 -0.02983 0.00000 0.00000 0.06731
120 11D-1 0.00000 0.00000 -0.12280 -0.03961 0.00000
121 11D+2 0.00000 0.00000 -0.02123 -0.02768 0.00000
122 11D-2 -0.19099 -0.08090 0.00000 0.00000 0.06583
123 12D 0 0.00000 0.00000 -0.27000 0.08357 0.00000
124 12D+1 -0.12839 -0.12210 0.00000 0.00000 -0.06875
125 12D-1 0.00000 0.00000 0.24592 0.22847 0.00000
126 12D+2 0.00000 0.00000 -0.07969 0.22605 0.00000
127 12D-2 0.19598 0.35077 0.00000 0.00000 -0.17612
128 13F 0 0.00000 0.00000 0.44237 0.12360 0.00000
129 13F+1 0.12477 -0.17753 0.00000 0.00000 0.29396
130 13F-1 0.00000 0.00000 0.23846 0.04157 0.00000
131 13F+2 0.00000 0.00000 0.29169 0.53173 0.00000
132 13F-2 -0.01553 -0.26622 0.00000 0.00000 -0.15254
133 13F+3 0.51509 0.12578 0.00000 0.00000 0.12378
134 13F-3 0.00000 0.00000 -0.38938 -0.26820 0.00000
135 14F 0 0.00000 0.00000 -0.26152 -0.00902 0.00000
136 14F+1 -0.05370 0.13269 0.00000 0.00000 -0.25260
137 14F-1 0.00000 0.00000 -0.04809 -0.01749 0.00000
138 14F+2 0.00000 0.00000 -0.09518 -0.23000 0.00000
139 14F-2 0.06626 0.20157 0.00000 0.00000 0.09366
140 14F+3 -0.20900 -0.00938 0.00000 0.00000 -0.15223
141 14F-3 0.00000 0.00000 0.22619 0.09363 0.00000
142 15G 0 0.00000 0.00000 -0.19716 0.13559 0.00000
143 15G+1 0.22787 0.22655 0.00000 0.00000 -0.16182
144 15G-1 0.00000 0.00000 0.00883 -0.12572 0.00000
145 15G+2 0.00000 0.00000 0.13191 0.02379 0.00000
146 15G-2 -0.04665 -0.08259 0.00000 0.00000 0.26951
147 15G+3 0.15469 0.08494 0.00000 0.00000 -0.01572
148 15G-3 0.00000 0.00000 -0.22917 -0.00634 0.00000
149 15G+4 0.00000 0.00000 0.08130 -0.11202 0.00000
150 15G-4 -0.05193 0.18273 0.00000 0.00000 0.13170
151 3 H 1S 0.00000 -0.21355 0.12329 -0.15008 -0.63147
152 2S 0.00000 0.39468 -0.22787 0.51983 1.09552
153 3S 0.00000 -0.23541 0.13592 -1.59625 -1.22912
154 4S 0.00000 -1.58834 0.91703 -2.13929 -1.53455
155 5S 0.00000 0.07318 -0.04225 0.00237 -0.11398
156 6PX 0.01182 0.02812 -0.00240 0.03806 -0.01949
157 6PY 0.02047 -0.00240 0.02535 -0.02197 0.01343
158 6PZ 0.00000 -0.00698 0.00403 -0.02628 0.03288
159 7PX -0.03150 0.03581 0.02115 -0.09661 -0.01542
160 7PY -0.05455 0.02115 0.06024 0.05578 -0.00546
161 7PZ 0.00000 0.06481 -0.03742 0.05744 -0.00951
162 8PX 0.15493 -0.24233 -0.06068 0.61185 0.08249
163 8PY 0.26835 -0.06068 -0.31240 -0.35325 0.04533
164 8PZ 0.00000 -0.31190 0.18008 -0.41252 0.13173
165 9PX 0.06920 0.35020 -0.41860 0.88862 0.57486
166 9PY 0.11986 -0.41860 -0.13316 -0.51304 -0.29814
167 9PZ 0.00000 -0.54624 0.31537 -0.44884 -0.32966
168 10D 0 0.00000 -0.10494 0.06058 0.05246 0.05036
169 10D+1 -0.00581 0.19805 -0.08977 0.18937 -0.10490
170 10D-1 -0.01006 -0.08977 0.09440 -0.10933 0.03165
171 10D+2 -0.32322 0.03109 0.10484 -0.08595 -0.05279
172 10D-2 -0.18661 0.06895 0.03109 0.14887 -0.02471
173 11D 0 0.00000 0.04965 -0.02866 -0.02453 0.00326
174 11D+1 0.01194 -0.09956 0.04026 -0.03430 0.04473
175 11D-1 0.02068 0.04026 -0.05307 0.01980 0.01304
176 11D+2 0.16540 -0.02584 -0.06599 0.01384 0.02722
177 11D-2 0.09549 -0.03615 -0.02584 -0.02397 0.01870
178 12D 0 0.00000 -0.23383 0.13500 0.08357 0.06265
179 12D+1 0.06419 0.15392 -0.15936 0.19786 -0.08684
180 12D-1 0.11119 -0.15936 -0.03010 -0.11424 0.01045
181 12D+2 -0.16972 0.18640 0.24316 -0.11302 -0.06433
182 12D-2 -0.09799 0.02792 0.18640 0.19576 -0.06470
183 13F 0 0.00000 0.38310 -0.22119 0.12360 0.09285
184 13F+1 -0.06238 0.13447 -0.18013 0.03600 -0.02346
185 13F-1 -0.10805 -0.18013 -0.07353 -0.02079 0.18326
186 13F+2 0.01345 -0.24158 -0.12674 -0.26587 -0.15933
187 13F-2 0.00776 0.15222 -0.24158 0.46049 0.12343
188 13F+3 0.51509 -0.06289 -0.10893 0.00000 -0.06189
189 13F-3 0.00000 -0.33721 0.19469 -0.26820 -0.20358
190 14F 0 0.00000 -0.22649 0.13076 -0.00902 -0.07041
191 14F+1 0.02685 -0.00289 0.07828 -0.01515 -0.05258
192 14F-1 0.04651 0.07828 0.08749 0.00874 -0.11548
193 14F+2 -0.05738 0.12850 0.12738 0.11500 0.14603
194 14F-2 -0.03313 -0.02100 0.12850 -0.19918 -0.15927
195 14F+3 -0.20900 0.00469 0.00812 0.00000 0.07612
196 14F-3 0.00000 0.19589 -0.11310 0.09363 0.16189
197 15G 0 0.00000 -0.17074 0.09858 0.13559 -0.03725
198 15G+1 -0.11394 0.06326 0.09427 -0.10887 0.04921
199 15G-1 -0.19734 0.09427 0.17212 0.06286 -0.12184
200 15G+2 0.04040 -0.09288 -0.02896 -0.01189 0.23115
201 15G-2 0.02332 0.07829 -0.09288 0.02060 -0.13086
202 15G+3 0.15469 -0.04247 -0.07356 0.00000 0.00786
203 15G-3 0.00000 -0.19847 0.11459 -0.00634 0.34994
204 15G+4 -0.04497 -0.11433 -0.11672 0.05601 -0.11771
205 15G-4 0.02596 -0.01529 0.11433 0.09702 -0.07218
206 4 H 1S 0.00000 0.21355 0.12329 -0.15008 0.63147
207 2S 0.00000 -0.39468 -0.22787 0.51983 -1.09552
208 3S 0.00000 0.23541 0.13592 -1.59625 1.22912
209 4S 0.00000 1.58834 0.91703 -2.13929 1.53455
210 5S 0.00000 -0.07318 -0.04225 0.00237 0.11398
211 6PX 0.01182 0.02812 0.00240 -0.03806 -0.01949
212 6PY -0.02047 0.00240 0.02535 -0.02197 -0.01343
213 6PZ 0.00000 0.00698 0.00403 -0.02628 -0.03288
214 7PX -0.03150 0.03581 -0.02115 0.09661 -0.01542
215 7PY 0.05455 -0.02115 0.06024 0.05578 0.00546
216 7PZ 0.00000 -0.06481 -0.03742 0.05744 0.00951
217 8PX 0.15493 -0.24233 0.06068 -0.61185 0.08249
218 8PY -0.26835 0.06068 -0.31240 -0.35325 -0.04533
219 8PZ 0.00000 0.31190 0.18008 -0.41252 -0.13173
220 9PX 0.06920 0.35020 0.41860 -0.88862 0.57486
221 9PY -0.11986 0.41860 -0.13316 -0.51304 0.29814
222 9PZ 0.00000 0.54624 0.31537 -0.44884 0.32966
223 10D 0 0.00000 0.10494 0.06058 0.05246 -0.05036
224 10D+1 -0.00581 0.19805 0.08977 -0.18937 -0.10490
225 10D-1 0.01006 0.08977 0.09440 -0.10933 -0.03165
226 10D+2 0.32322 -0.03109 0.10484 -0.08595 0.05279
227 10D-2 -0.18661 0.06895 -0.03109 -0.14887 -0.02471
228 11D 0 0.00000 -0.04965 -0.02866 -0.02453 -0.00326
229 11D+1 0.01194 -0.09956 -0.04026 0.03430 0.04473
230 11D-1 -0.02068 -0.04026 -0.05307 0.01980 -0.01304
231 11D+2 -0.16540 0.02584 -0.06599 0.01384 -0.02722
232 11D-2 0.09549 -0.03615 0.02584 0.02397 0.01870
233 12D 0 0.00000 0.23383 0.13500 0.08357 -0.06265
234 12D+1 0.06419 0.15392 0.15936 -0.19786 -0.08684
235 12D-1 -0.11119 0.15936 -0.03010 -0.11424 -0.01045
236 12D+2 0.16972 -0.18640 0.24316 -0.11302 0.06433
237 12D-2 -0.09799 0.02792 -0.18640 -0.19576 -0.06470
238 13F 0 0.00000 -0.38310 -0.22119 0.12360 -0.09285
239 13F+1 -0.06238 0.13447 0.18013 -0.03600 -0.02346
240 13F-1 0.10805 0.18013 -0.07353 -0.02079 -0.18326
241 13F+2 -0.01345 0.24158 -0.12674 -0.26587 0.15933
242 13F-2 0.00776 0.15222 0.24158 -0.46049 0.12343
243 13F+3 0.51509 -0.06289 0.10893 0.00000 -0.06189
244 13F-3 0.00000 0.33721 0.19469 -0.26820 0.20358
245 14F 0 0.00000 0.22649 0.13076 -0.00902 0.07041
246 14F+1 0.02685 -0.00289 -0.07828 0.01515 -0.05258
247 14F-1 -0.04651 -0.07828 0.08749 0.00874 0.11548
248 14F+2 0.05738 -0.12850 0.12738 0.11500 -0.14603
249 14F-2 -0.03313 -0.02100 -0.12850 0.19918 -0.15927
250 14F+3 -0.20900 0.00469 -0.00812 0.00000 0.07612
251 14F-3 0.00000 -0.19589 -0.11310 0.09363 -0.16189
252 15G 0 0.00000 0.17074 0.09858 0.13559 0.03725
253 15G+1 -0.11394 0.06326 -0.09427 0.10887 0.04921
254 15G-1 0.19734 -0.09427 0.17212 0.06286 0.12184
255 15G+2 -0.04040 0.09288 -0.02896 -0.01189 -0.23115
256 15G-2 0.02332 0.07829 0.09288 -0.02060 -0.13086
257 15G+3 0.15469 -0.04247 0.07356 0.00000 0.00786
258 15G-3 0.00000 0.19847 0.11459 -0.00634 -0.34994
259 15G+4 0.04497 0.11433 -0.11672 0.05601 0.11771
260 15G-4 0.02596 -0.01529 -0.11433 -0.09702 -0.07218
216 217 218 219 220
(E)--V (A2)--V (A1)--V (E)--V (E)--V
Eigenvalues -- 13.46492 13.50823 13.66794 13.68674 13.68674
1 1 P 1S 0.00000 0.00000 -0.00796 0.00000 0.00000
2 2S 0.00000 0.00000 -0.02451 0.00000 0.00000
3 3S 0.00000 0.00000 -0.16693 0.00000 0.00000
4 4S 0.00000 0.00000 -0.80540 0.00000 0.00000
5 5S 0.00000 0.00000 1.71113 0.00000 0.00000
6 6S 0.00000 0.00000 -0.31655 0.00000 0.00000
7 7S 0.00000 0.00000 -0.15691 0.00000 0.00000
8 8PX 0.00000 0.00000 0.00000 -0.01208 0.00000
9 8PY 0.20274 0.00000 0.00000 0.00000 -0.01208
10 8PZ 0.00000 0.00000 0.15340 0.00000 0.00000
11 9PX 0.00000 0.00000 0.00000 -0.01573 0.00000
12 9PY 0.25375 0.00000 0.00000 0.00000 -0.01573
13 9PZ 0.00000 0.00000 0.20465 0.00000 0.00000
14 10PX 0.00000 0.00000 0.00000 -0.00588 0.00000
15 10PY 0.11223 0.00000 0.00000 0.00000 -0.00588
16 10PZ 0.00000 0.00000 0.22206 0.00000 0.00000
17 11PX 0.00000 0.00000 0.00000 -0.01754 0.00000
18 11PY -0.45123 0.00000 0.00000 0.00000 -0.01754
19 11PZ 0.00000 0.00000 -0.81960 0.00000 0.00000
20 12PX 0.00000 0.00000 0.00000 0.01728 0.00000
21 12PY 2.19792 0.00000 0.00000 0.00000 0.01728
22 12PZ 0.00000 0.00000 0.26157 0.00000 0.00000
23 13PX 0.00000 0.00000 0.00000 0.00940 0.00000
24 13PY 0.17476 0.00000 0.00000 0.00000 0.00940
25 13PZ 0.00000 0.00000 -0.00816 0.00000 0.00000
26 14D 0 0.00000 0.00000 0.02155 0.00000 0.00000
27 14D+1 0.00000 0.00000 0.00000 -0.01202 0.00000
28 14D-1 -0.99028 0.00000 0.00000 0.00000 -0.01202
29 14D+2 -0.75402 0.00000 0.00000 0.00000 0.01077
30 14D-2 0.00000 0.00000 0.00000 0.01077 0.00000
31 15D 0 0.00000 0.00000 -0.16339 0.00000 0.00000
32 15D+1 0.00000 0.00000 0.00000 -0.08108 0.00000
33 15D-1 -0.18132 0.00000 0.00000 0.00000 -0.08108
34 15D+2 -0.24901 0.00000 0.00000 0.00000 0.21039
35 15D-2 0.00000 0.00000 0.00000 0.21039 0.00000
36 16D 0 0.00000 0.00000 -0.00368 0.00000 0.00000
37 16D+1 0.00000 0.00000 0.00000 0.02067 0.00000
38 16D-1 0.29598 0.00000 0.00000 0.00000 0.02067
39 16D+2 0.24697 0.00000 0.00000 0.00000 -0.05674
40 16D-2 0.00000 0.00000 0.00000 -0.05674 0.00000
41 17D 0 0.00000 0.00000 0.01013 0.00000 0.00000
42 17D+1 0.00000 0.00000 0.00000 0.00371 0.00000
43 17D-1 -0.12095 0.00000 0.00000 0.00000 0.00371
44 17D+2 -0.09920 0.00000 0.00000 0.00000 0.00983
45 17D-2 0.00000 0.00000 0.00000 0.00983 0.00000
46 18F 0 0.00000 0.00000 -0.03313 0.00000 0.00000
47 18F+1 0.00000 0.00000 0.00000 -0.03775 0.00000
48 18F-1 0.22322 0.00000 0.00000 0.00000 -0.03775
49 18F+2 0.45425 0.00000 0.00000 0.00000 -0.01220
50 18F-2 0.00000 0.00000 0.00000 -0.01220 0.00000
51 18F+3 0.00000 -0.06784 0.00000 0.00000 0.00000
52 18F-3 0.00000 0.00000 0.10136 0.00000 0.00000
53 19F 0 0.00000 0.00000 0.60023 0.00000 0.00000
54 19F+1 0.00000 0.00000 0.00000 -0.09754 0.00000
55 19F-1 -0.06074 0.00000 0.00000 0.00000 -0.09754
56 19F+2 0.18548 0.00000 0.00000 0.00000 -0.06314
57 19F-2 0.00000 0.00000 0.00000 -0.06314 0.00000
58 19F+3 0.00000 0.39445 0.00000 0.00000 0.00000
59 19F-3 0.00000 0.00000 0.25160 0.00000 0.00000
60 20F 0 0.00000 0.00000 0.00205 0.00000 0.00000
61 20F+1 0.00000 0.00000 0.00000 0.03228 0.00000
62 20F-1 -0.04644 0.00000 0.00000 0.00000 0.03228
63 20F+2 -0.11279 0.00000 0.00000 0.00000 0.00525
64 20F-2 0.00000 0.00000 0.00000 0.00525 0.00000
65 20F+3 0.00000 -0.01088 0.00000 0.00000 0.00000
66 20F-3 0.00000 0.00000 -0.17469 0.00000 0.00000
67 21G 0 0.00000 0.00000 -0.37264 0.00000 0.00000
68 21G+1 0.00000 0.00000 0.00000 0.29324 0.00000
69 21G-1 -0.04306 0.00000 0.00000 0.00000 0.29324
70 21G+2 -0.26503 0.00000 0.00000 0.00000 0.04997
71 21G-2 0.00000 0.00000 0.00000 0.04997 0.00000
72 21G+3 0.00000 0.05878 0.00000 0.00000 0.00000
73 21G-3 0.00000 0.00000 -0.01388 0.00000 0.00000
74 21G+4 -0.03561 0.00000 0.00000 0.00000 -0.26227
75 21G-4 0.00000 0.00000 0.00000 0.26227 0.00000
76 22G 0 0.00000 0.00000 -0.14313 0.00000 0.00000
77 22G+1 0.00000 0.00000 0.00000 0.08106 0.00000
78 22G-1 -0.02946 0.00000 0.00000 0.00000 0.08106
79 22G+2 -0.01196 0.00000 0.00000 0.00000 -0.00585
80 22G-2 0.00000 0.00000 0.00000 -0.00585 0.00000
81 22G+3 0.00000 0.02361 0.00000 0.00000 0.00000
82 22G-3 0.00000 0.00000 0.12917 0.00000 0.00000
83 22G+4 -0.04983 0.00000 0.00000 0.00000 -0.09596
84 22G-4 0.00000 0.00000 0.00000 0.09596 0.00000
85 23H 0 0.00000 0.00000 0.05929 0.00000 0.00000
86 23H+1 0.00000 0.00000 0.00000 -0.28217 0.00000
87 23H-1 0.13091 0.00000 0.00000 0.00000 -0.28217
88 23H+2 0.16951 0.00000 0.00000 0.00000 -0.11178
89 23H-2 0.00000 0.00000 0.00000 -0.11178 0.00000
90 23H+3 0.00000 -0.35099 0.00000 0.00000 0.00000
91 23H-3 0.00000 0.00000 -0.20722 0.00000 0.00000
92 23H+4 0.19552 0.00000 0.00000 0.00000 0.16378
93 23H-4 0.00000 0.00000 0.00000 -0.16378 0.00000
94 23H+5 0.00000 0.00000 0.00000 0.14178 0.00000
95 23H-5 -0.17675 0.00000 0.00000 0.00000 -0.14178
96 2 H 1S -0.72916 0.00000 0.30803 0.00000 0.02439
97 2S 1.26500 0.00000 -0.47673 0.00000 -0.05282
98 3S -1.41926 0.00000 0.08484 0.00000 0.11944
99 4S -1.77195 0.00000 -0.07685 0.00000 -0.01388
100 5S -0.13161 0.00000 0.04323 0.00000 0.00958
101 6PX 0.00000 -0.03390 0.00000 0.02046 0.00000
102 6PY -0.02725 0.00000 0.04631 0.00000 0.00560
103 6PZ 0.03797 0.00000 0.00233 0.00000 0.00056
104 7PX 0.00000 -0.01104 0.00000 -0.00022 0.00000
105 7PY -0.01227 0.00000 -0.03041 0.00000 0.01127
106 7PZ -0.01098 0.00000 0.00902 0.00000 0.00434
107 8PX 0.00000 0.01045 0.00000 0.00236 0.00000
108 8PY 0.05632 0.00000 0.28979 0.00000 -0.08073
109 8PZ 0.15211 0.00000 -0.09831 0.00000 -0.03775
110 9PX 0.00000 0.03681 0.00000 -0.03072 0.00000
111 9PY 0.74699 0.00000 0.04441 0.00000 -0.04939
112 9PZ -0.38066 0.00000 -0.02506 0.00000 -0.04008
113 10D 0 0.05816 0.00000 -0.05337 0.00000 0.16604
114 10D+1 0.00000 -0.21976 0.00000 0.15205 0.00000
115 10D-1 -0.12317 0.00000 -0.02737 0.00000 0.17212
116 10D+2 0.00577 0.00000 0.21533 0.00000 -0.24742
117 10D-2 0.00000 -0.06266 0.00000 -0.00861 0.00000
118 11D 0 0.00376 0.00000 0.06315 0.00000 -0.17323
119 11D+1 0.00000 0.12715 0.00000 -0.12146 0.00000
120 11D-1 0.03720 0.00000 0.02361 0.00000 -0.16472
121 11D+2 0.00298 0.00000 -0.09785 0.00000 0.23874
122 11D-2 0.00000 0.09310 0.00000 -0.01288 0.00000
123 12D 0 0.07235 0.00000 0.15237 0.00000 0.23678
124 12D+1 0.00000 0.14017 0.00000 0.06112 0.00000
125 12D-1 -0.09287 0.00000 0.29420 0.00000 0.23707
126 12D+2 -0.02756 0.00000 0.03507 0.00000 -0.36573
127 12D-2 0.00000 -0.01243 0.00000 0.05671 0.00000
128 13F 0 0.10721 0.00000 -0.31544 0.00000 -0.44503
129 13F+1 0.00000 -0.34075 0.00000 -0.12060 0.00000
130 13F-1 -0.12927 0.00000 -0.06378 0.00000 0.03390
131 13F+2 0.21542 0.00000 -0.21556 0.00000 0.01971
132 13F-2 0.00000 0.34845 0.00000 -0.09199 0.00000
133 13F+3 0.00000 -0.07552 0.00000 -0.01954 0.00000
134 13F-3 -0.23507 0.00000 -0.29497 0.00000 -0.36621
135 14F 0 -0.08131 0.00000 0.34340 0.00000 0.46223
136 14F+1 0.00000 0.30177 0.00000 0.12223 0.00000
137 14F-1 0.01409 0.00000 0.03531 0.00000 -0.02645
138 14F+2 -0.24358 0.00000 0.25141 0.00000 -0.00982
139 14F-2 0.00000 -0.25147 0.00000 0.06719 0.00000
140 14F+3 0.00000 0.10789 0.00000 0.01191 0.00000
141 14F-3 0.18694 0.00000 0.20468 0.00000 0.39320
142 15G 0 -0.04301 0.00000 0.17625 0.00000 0.29467
143 15G+1 0.00000 0.20354 0.00000 0.10931 0.00000
144 15G-1 0.11955 0.00000 -0.27875 0.00000 -0.41661
145 15G+2 -0.26431 0.00000 0.13367 0.00000 0.05559
146 15G-2 0.00000 -0.34018 0.00000 -0.11432 0.00000
147 15G+3 0.00000 -0.00403 0.00000 0.05752 0.00000
148 15G-3 0.40408 0.00000 -0.17101 0.00000 0.17128
149 15G+4 0.14014 0.00000 0.11416 0.00000 0.37944
150 15G-4 0.00000 -0.17065 0.00000 0.07768 0.00000
151 3 H 1S 0.36458 0.00000 0.30803 0.02112 -0.01220
152 2S -0.63250 0.00000 -0.47673 -0.04575 0.02641
153 3S 0.70963 0.00000 0.08484 0.10344 -0.05972
154 4S 0.88597 0.00000 -0.07685 -0.01202 0.00694
155 5S 0.06581 0.00000 0.04323 0.00830 -0.00479
156 6PX 0.01343 0.01695 0.04010 0.00931 0.00644
157 6PY -0.00398 0.02936 -0.02315 0.00644 0.01675
158 6PZ -0.01898 0.00000 0.00233 0.00049 -0.00028
159 7PX -0.00546 0.00552 -0.02634 0.00840 -0.00497
160 7PY -0.02172 0.00956 0.01521 -0.00497 0.00265
161 7PZ 0.00549 0.00000 0.00902 0.00376 -0.00217
162 8PX 0.04533 -0.00522 0.25097 -0.05996 0.03598
163 8PY 0.13483 -0.00905 -0.14490 0.03598 -0.01841
164 8PZ -0.07606 0.00000 -0.09831 -0.03269 0.01887
165 9PX -0.29814 -0.01841 0.03846 -0.04472 0.00808
166 9PY 0.23060 -0.03188 -0.02221 0.00808 -0.03539
167 9PZ 0.19033 0.00000 -0.02506 -0.03471 0.02004
168 10D 0 -0.02908 0.00000 -0.05337 0.14379 -0.08302
169 10D+1 0.03165 0.10988 -0.02371 0.16710 -0.00869
170 10D-1 -0.06836 0.19032 0.01369 -0.00869 0.15707
171 10D+2 -0.08566 0.05426 -0.10766 0.10341 -0.06831
172 10D-2 -0.05279 0.03133 0.18648 -0.18772 0.10341
173 11D 0 -0.00188 0.00000 0.06315 -0.15002 0.08661
174 11D+1 0.01304 -0.06358 0.02045 -0.15391 0.01873
175 11D-1 0.05978 -0.11012 -0.01180 0.01873 -0.13228
176 11D+2 0.05012 -0.08063 0.04893 -0.10896 0.05002
177 11D-2 0.02722 -0.04655 -0.08474 0.17584 -0.10896
178 12D 0 -0.03617 0.00000 0.15237 0.20506 -0.11839
179 12D+1 0.01045 -0.07009 0.25479 0.19308 -0.07618
180 12D-1 -0.07478 -0.12139 -0.14710 -0.07618 0.10511
181 12D+2 -0.13898 0.01077 -0.01754 0.18292 -0.04890
182 12D-2 -0.06433 0.00622 0.03037 -0.26012 0.18292
183 13F 0 -0.05361 0.00000 -0.31543 -0.38541 0.22252
184 13F+1 0.18326 0.17038 -0.05523 -0.00472 -0.06690
185 13F-1 0.18815 0.29510 0.03189 -0.06690 -0.08198
186 13F+2 -0.06055 -0.30176 0.10778 -0.04837 -0.06406
187 13F-2 -0.15933 -0.17422 -0.18668 -0.00821 -0.04837
188 13F+3 -0.10720 -0.07552 0.00000 0.00977 0.01692
189 13F-3 0.11753 0.00000 -0.29497 -0.31715 0.18310
190 14F 0 0.04065 0.00000 0.34340 0.40031 -0.23112
191 14F+1 -0.11548 -0.15088 0.03058 0.01072 0.06438
192 14F-1 -0.18593 -0.26134 -0.01766 0.06438 0.08506
193 14F+2 0.00935 0.21778 -0.12570 0.03335 0.04793
194 14F-2 0.14603 0.12574 0.21772 0.00943 0.03335
195 14F+3 0.13184 0.10789 0.00000 -0.00595 -0.01031
196 14F-3 -0.09347 0.00000 0.20468 0.34053 -0.19660
197 15G 0 0.02151 0.00000 0.17625 0.25519 -0.14733
198 15G+1 -0.12184 -0.10177 -0.24141 -0.28513 0.22773
199 15G-1 -0.09148 -0.17627 0.13938 0.22773 -0.02217
200 15G+2 0.13605 0.29461 -0.06684 -0.07357 -0.07184
201 15G-2 0.23115 0.17009 0.11576 0.01311 -0.07357
202 15G+3 0.01361 -0.00403 0.00000 -0.02876 -0.04982
203 15G-3 -0.20204 0.00000 -0.17101 0.14834 -0.08564
204 15G+4 -0.06374 -0.14779 -0.05708 -0.19794 0.03660
205 15G-4 0.11771 0.08533 -0.09887 -0.26516 0.19794
206 4 H 1S 0.36458 0.00000 0.30803 -0.02112 -0.01220
207 2S -0.63250 0.00000 -0.47673 0.04575 0.02641
208 3S 0.70963 0.00000 0.08484 -0.10344 -0.05972
209 4S 0.88597 0.00000 -0.07685 0.01202 0.00694
210 5S 0.06581 0.00000 0.04323 -0.00830 -0.00479
211 6PX -0.01343 0.01695 -0.04010 0.00931 -0.00644
212 6PY -0.00398 -0.02936 -0.02315 -0.00644 0.01675
213 6PZ -0.01898 0.00000 0.00233 -0.00049 -0.00028
214 7PX 0.00546 0.00552 0.02634 0.00840 0.00497
215 7PY -0.02172 -0.00956 0.01521 0.00497 0.00265
216 7PZ 0.00549 0.00000 0.00902 -0.00376 -0.00217
217 8PX -0.04533 -0.00522 -0.25097 -0.05996 -0.03598
218 8PY 0.13483 0.00905 -0.14490 -0.03598 -0.01841
219 8PZ -0.07606 0.00000 -0.09831 0.03269 0.01887
220 9PX 0.29814 -0.01841 -0.03846 -0.04472 -0.00808
221 9PY 0.23060 0.03188 -0.02221 -0.00808 -0.03539
222 9PZ 0.19033 0.00000 -0.02506 0.03471 0.02004
223 10D 0 -0.02908 0.00000 -0.05337 -0.14379 -0.08302
224 10D+1 -0.03165 0.10988 0.02371 0.16710 0.00869
225 10D-1 -0.06836 -0.19032 0.01369 0.00869 0.15707
226 10D+2 -0.08566 -0.05426 -0.10766 -0.10341 -0.06831
227 10D-2 0.05279 0.03133 -0.18648 -0.18772 -0.10341
228 11D 0 -0.00188 0.00000 0.06315 0.15002 0.08661
229 11D+1 -0.01304 -0.06358 -0.02045 -0.15391 -0.01873
230 11D-1 0.05978 0.11012 -0.01180 -0.01873 -0.13228
231 11D+2 0.05012 0.08063 0.04893 0.10896 0.05002
232 11D-2 -0.02722 -0.04655 0.08474 0.17584 0.10896
233 12D 0 -0.03617 0.00000 0.15237 -0.20506 -0.11839
234 12D+1 -0.01045 -0.07009 -0.25479 0.19308 0.07618
235 12D-1 -0.07478 0.12139 -0.14710 0.07618 0.10511
236 12D+2 -0.13898 -0.01077 -0.01754 -0.18292 -0.04890
237 12D-2 0.06433 0.00622 -0.03037 -0.26012 -0.18292
238 13F 0 -0.05361 0.00000 -0.31543 0.38541 0.22252
239 13F+1 -0.18326 0.17038 0.05523 -0.00472 0.06690
240 13F-1 0.18815 -0.29510 0.03189 0.06690 -0.08198
241 13F+2 -0.06055 0.30176 0.10778 0.04837 -0.06406
242 13F-2 0.15933 -0.17422 0.18668 -0.00821 0.04837
243 13F+3 0.10720 -0.07552 0.00000 0.00977 -0.01692
244 13F-3 0.11753 0.00000 -0.29497 0.31715 0.18310
245 14F 0 0.04065 0.00000 0.34340 -0.40031 -0.23112
246 14F+1 0.11548 -0.15088 -0.03058 0.01072 -0.06438
247 14F-1 -0.18593 0.26134 -0.01766 -0.06438 0.08506
248 14F+2 0.00935 -0.21778 -0.12570 -0.03335 0.04793
249 14F-2 -0.14603 0.12574 -0.21772 0.00943 -0.03335
250 14F+3 -0.13184 0.10789 0.00000 -0.00595 0.01031
251 14F-3 -0.09347 0.00000 0.20468 -0.34053 -0.19660
252 15G 0 0.02151 0.00000 0.17625 -0.25519 -0.14733
253 15G+1 0.12184 -0.10177 0.24141 -0.28513 -0.22773
254 15G-1 -0.09148 0.17627 0.13938 -0.22773 -0.02217
255 15G+2 0.13605 -0.29461 -0.06684 0.07357 -0.07184
256 15G-2 -0.23115 0.17009 -0.11576 0.01311 0.07357
257 15G+3 -0.01361 -0.00403 0.00000 -0.02876 0.04982
258 15G-3 -0.20204 0.00000 -0.17101 -0.14834 -0.08564
259 15G+4 -0.06374 0.14779 -0.05708 0.19794 0.03660
260 15G-4 -0.11771 0.08533 0.09887 -0.26516 -0.19794
221 222 223 224 225
(A1)--V (E)--V (E)--V (E)--V (E)--V
Eigenvalues -- 13.77082 13.83742 13.83742 13.91500 13.91500
1 1 P 1S -0.01232 0.00000 0.00000 0.00000 0.00000
2 2S -0.02781 0.00000 0.00000 0.00000 0.00000
3 3S -0.27458 0.00000 0.00000 0.00000 0.00000
4 4S -1.27994 0.00000 0.00000 0.00000 0.00000
5 5S 2.10974 0.00000 0.00000 0.00000 0.00000
6 6S 1.60691 0.00000 0.00000 0.00000 0.00000
7 7S 0.23975 0.00000 0.00000 0.00000 0.00000
8 8PX 0.00000 -0.08837 0.00000 0.04938 0.00000
9 8PY 0.00000 0.00000 -0.08837 0.00000 0.04938
10 8PZ 0.23156 0.00000 0.00000 0.00000 0.00000
11 9PX 0.00000 -0.12446 0.00000 0.06305 0.00000
12 9PY 0.00000 0.00000 -0.12446 0.00000 0.06305
13 9PZ 0.30672 0.00000 0.00000 0.00000 0.00000
14 10PX 0.00000 -0.22048 0.00000 0.05028 0.00000
15 10PY 0.00000 0.00000 -0.22048 0.00000 0.05028
16 10PZ 0.29064 0.00000 0.00000 0.00000 0.00000
17 11PX 0.00000 0.97473 0.00000 -0.28762 0.00000
18 11PY 0.00000 0.00000 0.97473 0.00000 -0.28762
19 11PZ -1.18656 0.00000 0.00000 0.00000 0.00000
20 12PX 0.00000 -0.72174 0.00000 0.52915 0.00000
21 12PY 0.00000 0.00000 -0.72174 0.00000 0.52915
22 12PZ 0.09878 0.00000 0.00000 0.00000 0.00000
23 13PX 0.00000 -0.11883 0.00000 0.05193 0.00000
24 13PY 0.00000 0.00000 -0.11883 0.00000 0.05193
25 13PZ -0.07036 0.00000 0.00000 0.00000 0.00000
26 14D 0 -0.31176 0.00000 0.00000 0.00000 0.00000
27 14D+1 0.00000 0.87374 0.00000 -0.60594 0.00000
28 14D-1 0.00000 0.00000 0.87374 0.00000 -0.60594
29 14D+2 0.00000 0.00000 0.07767 0.00000 0.41768
30 14D-2 0.00000 0.07767 0.00000 0.41768 0.00000
31 15D 0 -0.37832 0.00000 0.00000 0.00000 0.00000
32 15D+1 0.00000 0.49456 0.00000 -0.39230 0.00000
33 15D-1 0.00000 0.00000 0.49456 0.00000 -0.39230
34 15D+2 0.00000 0.00000 -0.52296 0.00000 0.48421
35 15D-2 0.00000 -0.52296 0.00000 0.48421 0.00000
36 16D 0 -0.09086 0.00000 0.00000 0.00000 0.00000
37 16D+1 0.00000 -0.30230 0.00000 0.13072 0.00000
38 16D-1 0.00000 0.00000 -0.30230 0.00000 0.13072
39 16D+2 0.00000 0.00000 -0.14991 0.00000 0.03299
40 16D-2 0.00000 -0.14991 0.00000 0.03299 0.00000
41 17D 0 0.05217 0.00000 0.00000 0.00000 0.00000
42 17D+1 0.00000 0.09214 0.00000 -0.02912 0.00000
43 17D-1 0.00000 0.00000 0.09214 0.00000 -0.02912
44 17D+2 0.00000 0.00000 0.08417 0.00000 -0.03377
45 17D-2 0.00000 0.08417 0.00000 -0.03377 0.00000
46 18F 0 0.03662 0.00000 0.00000 0.00000 0.00000
47 18F+1 0.00000 -0.57550 0.00000 0.36760 0.00000
48 18F-1 0.00000 0.00000 -0.57550 0.00000 0.36760
49 18F+2 0.00000 0.00000 -0.11540 0.00000 -0.16941
50 18F-2 0.00000 -0.11540 0.00000 -0.16941 0.00000
51 18F+3 0.00000 0.00000 0.00000 0.00000 0.00000
52 18F-3 -0.12471 0.00000 0.00000 0.00000 0.00000
53 19F 0 0.01643 0.00000 0.00000 0.00000 0.00000
54 19F+1 0.00000 -0.62758 0.00000 0.37489 0.00000
55 19F-1 0.00000 0.00000 -0.62758 0.00000 0.37489
56 19F+2 0.00000 0.00000 0.17567 0.00000 -0.14355
57 19F-2 0.00000 0.17567 0.00000 -0.14355 0.00000
58 19F+3 0.00000 0.00000 0.00000 0.00000 0.00000
59 19F-3 -0.72490 0.00000 0.00000 0.00000 0.00000
60 20F 0 0.21462 0.00000 0.00000 0.00000 0.00000
61 20F+1 0.00000 -0.03934 0.00000 0.03142 0.00000
62 20F-1 0.00000 0.00000 -0.03934 0.00000 0.03142
63 20F+2 0.00000 0.00000 0.06993 0.00000 -0.05113
64 20F-2 0.00000 0.06993 0.00000 -0.05113 0.00000
65 20F+3 0.00000 0.00000 0.00000 0.00000 0.00000
66 20F-3 -0.12021 0.00000 0.00000 0.00000 0.00000
67 21G 0 0.16716 0.00000 0.00000 0.00000 0.00000
68 21G+1 0.00000 0.35006 0.00000 -0.22250 0.00000
69 21G-1 0.00000 0.00000 0.35006 0.00000 -0.22250
70 21G+2 0.00000 0.00000 -0.03202 0.00000 0.01503
71 21G-2 0.00000 -0.03202 0.00000 0.01503 0.00000
72 21G+3 0.00000 0.00000 0.00000 0.00000 0.00000
73 21G-3 0.37311 0.00000 0.00000 0.00000 0.00000
74 21G+4 0.00000 0.00000 0.19617 0.00000 0.00836
75 21G-4 0.00000 -0.19617 0.00000 -0.00836 0.00000
76 22G 0 -0.06729 0.00000 0.00000 0.00000 0.00000
77 22G+1 0.00000 0.09790 0.00000 -0.11485 0.00000
78 22G-1 0.00000 0.00000 0.09790 0.00000 -0.11485
79 22G+2 0.00000 0.00000 0.03076 0.00000 -0.02585
80 22G-2 0.00000 0.03076 0.00000 -0.02585 0.00000
81 22G+3 0.00000 0.00000 0.00000 0.00000 0.00000
82 22G-3 0.25194 0.00000 0.00000 0.00000 0.00000
83 22G+4 0.00000 0.00000 0.09658 0.00000 0.05098
84 22G-4 0.00000 -0.09658 0.00000 -0.05098 0.00000
85 23H 0 -0.02135 0.00000 0.00000 0.00000 0.00000
86 23H+1 0.00000 -0.03931 0.00000 0.15236 0.00000
87 23H-1 0.00000 0.00000 -0.03931 0.00000 0.15236
88 23H+2 0.00000 0.00000 0.01985 0.00000 0.06261
89 23H-2 0.00000 0.01985 0.00000 0.06261 0.00000
90 23H+3 0.00000 0.00000 0.00000 0.00000 0.00000
91 23H-3 -0.27803 0.00000 0.00000 0.00000 0.00000
92 23H+4 0.00000 0.00000 -0.12900 0.00000 -0.06667
93 23H-4 0.00000 0.12900 0.00000 0.06667 0.00000
94 23H+5 0.00000 -0.00699 0.00000 -0.05433 0.00000
95 23H-5 0.00000 0.00000 0.00699 0.00000 0.05433
96 2 H 1S 0.24307 0.00000 0.22264 0.00000 -0.06581
97 2S -0.31933 0.00000 -0.40634 0.00000 0.11976
98 3S -0.34629 0.00000 0.47962 0.00000 -0.07781
99 4S -0.70860 0.00000 0.31678 0.00000 -0.23267
100 5S 0.01081 0.00000 0.05905 0.00000 -0.00696
101 6PX 0.00000 -0.02751 0.00000 0.01727 0.00000
102 6PY 0.04695 0.00000 0.05551 0.00000 -0.03061
103 6PZ 0.00691 0.00000 0.06959 0.00000 -0.04497
104 7PX 0.00000 -0.01570 0.00000 0.03519 0.00000
105 7PY -0.03259 0.00000 0.02452 0.00000 -0.01801
106 7PZ 0.05817 0.00000 0.08121 0.00000 -0.04322
107 8PX 0.00000 0.04088 0.00000 -0.14501 0.00000
108 8PY 0.36926 0.00000 -0.13888 0.00000 0.09883
109 8PZ -0.39359 0.00000 -0.48609 0.00000 0.26500
110 9PX 0.00000 0.25266 0.00000 -0.50629 0.00000
111 9PY 0.23992 0.00000 -0.28441 0.00000 0.30415
112 9PZ -0.50885 0.00000 -0.65207 0.00000 0.44157
113 10D 0 -0.04195 0.00000 0.01883 0.00000 0.82573
114 10D+1 0.00000 -0.67503 0.00000 0.00989 0.00000
115 10D-1 0.27441 0.00000 0.37014 0.00000 0.43595
116 10D+2 -0.05079 0.00000 -0.33148 0.00000 -0.69662
117 10D-2 0.00000 -0.39099 0.00000 0.14564 0.00000
118 11D 0 0.10562 0.00000 0.02186 0.00000 -0.79347
119 11D+1 0.00000 0.61596 0.00000 -0.00607 0.00000
120 11D-1 -0.19524 0.00000 -0.35916 0.00000 -0.38638
121 11D+2 0.08994 0.00000 0.32752 0.00000 0.63137
122 11D-2 0.00000 0.41636 0.00000 -0.16348 0.00000
123 12D 0 -0.32595 0.00000 -0.52937 0.00000 0.62516
124 12D+1 0.00000 -0.43468 0.00000 -0.05463 0.00000
125 12D-1 0.46603 0.00000 0.67335 0.00000 -0.14749
126 12D+2 0.26060 0.00000 -0.27221 0.00000 -0.07350
127 12D-2 0.00000 -0.45148 0.00000 0.37391 0.00000
128 13F 0 0.17566 0.00000 0.01653 0.00000 0.02484
129 13F+1 0.00000 0.19811 0.00000 0.00516 0.00000
130 13F-1 -0.26671 0.00000 -0.32332 0.00000 0.19327
131 13F+2 -0.10410 0.00000 -0.15442 0.00000 0.04007
132 13F-2 0.00000 -0.00629 0.00000 -0.01014 0.00000
133 13F+3 0.00000 0.25018 0.00000 -0.13455 0.00000
134 13F-3 0.23250 0.00000 -0.15021 0.00000 0.04393
135 14F 0 -0.09410 0.00000 -0.00973 0.00000 -0.07682
136 14F+1 0.00000 -0.21278 0.00000 0.00306 0.00000
137 14F-1 0.29382 0.00000 0.42570 0.00000 -0.25161
138 14F+2 0.19828 0.00000 0.21601 0.00000 -0.07370
139 14F-2 0.00000 0.05860 0.00000 0.03307 0.00000
140 14F+3 0.00000 -0.25962 0.00000 0.17349 0.00000
141 14F-3 -0.30475 0.00000 0.11320 0.00000 -0.11008
142 15G 0 0.21949 0.00000 0.15411 0.00000 -0.19537
143 15G+1 0.00000 -0.04067 0.00000 -0.00511 0.00000
144 15G-1 0.09914 0.00000 0.11443 0.00000 0.06354
145 15G+2 0.15724 0.00000 0.28112 0.00000 -0.15840
146 15G-2 0.00000 0.19073 0.00000 0.03266 0.00000
147 15G+3 0.00000 0.01589 0.00000 0.01829 0.00000
148 15G-3 -0.22826 0.00000 -0.15708 0.00000 -0.01427
149 15G+4 -0.28983 0.00000 -0.00534 0.00000 -0.14380
150 15G-4 0.00000 0.17322 0.00000 -0.15932 0.00000
151 3 H 1S 0.24307 0.19281 -0.11132 -0.05699 0.03290
152 2S -0.31933 -0.35190 0.20317 0.10372 -0.05988
153 3S -0.34629 0.41536 -0.23981 -0.06739 0.03891
154 4S -0.70860 0.27434 -0.15839 -0.20150 0.11633
155 5S 0.01081 0.05114 -0.02952 -0.00602 0.00348
156 6PX 0.04066 0.03476 -0.03595 -0.01864 0.02073
157 6PY -0.02347 -0.03595 -0.00676 0.02073 0.00530
158 6PZ 0.00691 0.06026 -0.03479 -0.03895 0.02249
159 7PX -0.02822 0.01446 -0.01741 -0.00471 0.02304
160 7PY 0.01630 -0.01741 -0.00564 0.02304 0.02189
161 7PZ 0.05817 0.07033 -0.04061 -0.03743 0.02161
162 8PX 0.31979 -0.09394 0.07784 0.03787 -0.10558
163 8PY -0.18463 0.07784 -0.00406 -0.10558 -0.08405
164 8PZ -0.39359 -0.42096 0.24304 0.22950 -0.13250
165 9PX 0.20778 -0.15014 0.23256 0.10154 -0.35093
166 9PY -0.11996 0.23256 0.11839 -0.35093 -0.30368
167 9PZ -0.50885 -0.56471 0.32604 0.38241 -0.22078
168 10D 0 -0.04195 0.01631 -0.00941 0.71510 -0.41286
169 10D+1 0.23764 0.10885 -0.45257 0.32943 -0.18449
170 10D-1 -0.13720 -0.45257 -0.41374 -0.18449 0.11641
171 10D+2 0.02540 -0.02577 -0.37611 0.36471 -0.06492
172 10D-2 -0.04399 -0.34636 -0.02577 -0.48605 0.36471
173 11D 0 0.10562 0.01893 -0.01093 -0.68717 0.39674
174 11D+1 -0.16908 -0.11538 0.42224 -0.29130 0.16468
175 11D-1 0.09762 0.42224 0.37218 0.16468 -0.10115
176 11D+2 -0.04497 0.03847 0.39415 -0.34418 0.03523
177 11D-2 0.07789 0.34973 0.03847 0.43265 -0.34418
178 12D 0 -0.32595 -0.45844 0.26468 0.54141 -0.31258
179 12D+1 0.40359 0.39634 -0.47979 -0.12428 0.04021
180 12D-1 -0.23302 -0.47979 -0.15768 0.04021 -0.07785
181 12D+2 -0.13030 -0.07763 -0.40667 0.19373 0.26205
182 12D-2 0.22568 -0.31703 -0.07763 0.03835 0.19373
183 13F 0 0.17566 0.01431 -0.00826 0.02151 -0.01242
184 13F+1 -0.23097 -0.19297 0.22579 0.14624 -0.08145
185 13F-1 0.13335 0.22579 0.06775 -0.08145 0.05219
186 13F+2 0.05205 0.06414 -0.04332 -0.02174 0.00241
187 13F-2 -0.09016 -0.11739 0.06414 0.02752 -0.02174
188 13F+3 0.00000 -0.12509 -0.21666 0.06727 0.11652
189 13F-3 0.23250 -0.13008 0.07510 0.03805 -0.02197
190 14F 0 -0.09410 -0.00843 0.00487 -0.06653 0.03841
191 14F+1 0.25446 0.26608 -0.27647 -0.18794 0.11027
192 14F-1 -0.14691 -0.27647 -0.05316 0.11027 -0.06061
193 14F+2 -0.09914 -0.06816 0.09796 0.04623 0.00638
194 14F-2 0.17171 0.17666 -0.06816 -0.04701 0.04623
195 14F+3 0.00000 0.12981 0.22484 -0.08674 -0.15024
196 14F-3 -0.30475 0.09803 -0.05660 -0.09534 0.05504
197 15G 0 0.21949 0.13346 -0.07705 -0.16919 0.09768
198 15G+1 0.08586 0.07566 -0.06716 0.04638 -0.02972
199 15G-1 -0.04957 -0.06716 -0.00190 -0.02972 0.01206
200 15G+2 -0.07862 -0.03914 0.21333 0.08273 -0.01511
201 15G-2 0.13618 0.25852 -0.03914 -0.11064 0.08273
202 15G+3 0.00000 -0.00795 -0.01376 -0.00915 -0.01584
203 15G-3 -0.22826 -0.13604 0.07854 -0.01236 0.00714
204 15G+4 0.14492 -0.07269 -0.13125 0.13125 0.08354
205 15G-4 0.25100 0.04731 0.07269 0.06802 -0.13125
206 4 H 1S 0.24307 -0.19281 -0.11132 0.05699 0.03290
207 2S -0.31933 0.35190 0.20317 -0.10372 -0.05988
208 3S -0.34629 -0.41536 -0.23981 0.06739 0.03891
209 4S -0.70860 -0.27434 -0.15839 0.20150 0.11633
210 5S 0.01081 -0.05114 -0.02952 0.00602 0.00348
211 6PX -0.04066 0.03476 0.03595 -0.01864 -0.02073
212 6PY -0.02347 0.03595 -0.00676 -0.02073 0.00530
213 6PZ 0.00691 -0.06026 -0.03479 0.03895 0.02249
214 7PX 0.02822 0.01446 0.01741 -0.00471 -0.02304
215 7PY 0.01630 0.01741 -0.00564 -0.02304 0.02189
216 7PZ 0.05817 -0.07033 -0.04061 0.03743 0.02161
217 8PX -0.31979 -0.09394 -0.07784 0.03787 0.10558
218 8PY -0.18463 -0.07784 -0.00406 0.10558 -0.08405
219 8PZ -0.39359 0.42096 0.24304 -0.22950 -0.13250
220 9PX -0.20778 -0.15014 -0.23256 0.10154 0.35093
221 9PY -0.11996 -0.23256 0.11839 0.35093 -0.30368
222 9PZ -0.50885 0.56471 0.32604 -0.38241 -0.22078
223 10D 0 -0.04195 -0.01631 -0.00941 -0.71510 -0.41286
224 10D+1 -0.23764 0.10885 0.45257 0.32943 0.18449
225 10D-1 -0.13720 0.45257 -0.41374 0.18449 0.11641
226 10D+2 0.02540 0.02577 -0.37611 -0.36471 -0.06492
227 10D-2 0.04399 -0.34636 0.02577 -0.48605 -0.36471
228 11D 0 0.10562 -0.01893 -0.01093 0.68717 0.39674
229 11D+1 0.16908 -0.11538 -0.42224 -0.29130 -0.16468
230 11D-1 0.09762 -0.42224 0.37218 -0.16468 -0.10115
231 11D+2 -0.04497 -0.03847 0.39415 0.34418 0.03523
232 11D-2 -0.07789 0.34973 -0.03847 0.43265 0.34418
233 12D 0 -0.32595 0.45844 0.26468 -0.54141 -0.31258
234 12D+1 -0.40359 0.39634 0.47979 -0.12428 -0.04021
235 12D-1 -0.23302 0.47979 -0.15768 -0.04021 -0.07785
236 12D+2 -0.13030 0.07763 -0.40667 -0.19373 0.26205
237 12D-2 -0.22568 -0.31703 0.07763 0.03835 -0.19373
238 13F 0 0.17566 -0.01431 -0.00826 -0.02151 -0.01242
239 13F+1 0.23097 -0.19297 -0.22579 0.14624 0.08145
240 13F-1 0.13335 -0.22579 0.06775 0.08145 0.05219
241 13F+2 0.05205 -0.06414 -0.04332 0.02174 0.00241
242 13F-2 0.09016 -0.11739 -0.06414 0.02752 0.02174
243 13F+3 0.00000 -0.12509 0.21666 0.06727 -0.11652
244 13F-3 0.23250 0.13008 0.07510 -0.03805 -0.02197
245 14F 0 -0.09410 0.00843 0.00487 0.06653 0.03841
246 14F+1 -0.25446 0.26608 0.27647 -0.18794 -0.11027
247 14F-1 -0.14691 0.27647 -0.05316 -0.11027 -0.06061
248 14F+2 -0.09914 0.06816 0.09796 -0.04623 0.00638
249 14F-2 -0.17171 0.17666 0.06816 -0.04701 -0.04623
250 14F+3 0.00000 0.12981 -0.22484 -0.08674 0.15024
251 14F-3 -0.30475 -0.09803 -0.05660 0.09534 0.05504
252 15G 0 0.21949 -0.13346 -0.07705 0.16919 0.09768
253 15G+1 -0.08586 0.07566 0.06716 0.04638 0.02972
254 15G-1 -0.04957 0.06716 -0.00190 0.02972 0.01206
255 15G+2 -0.07862 0.03914 0.21333 -0.08273 -0.01511
256 15G-2 -0.13618 0.25852 0.03914 -0.11064 -0.08273
257 15G+3 0.00000 -0.00795 0.01376 -0.00915 0.01584
258 15G-3 -0.22826 0.13604 0.07854 0.01236 0.00714
259 15G+4 0.14492 0.07269 -0.13125 -0.13125 0.08354
260 15G-4 -0.25100 0.04731 -0.07269 0.06802 0.13125
226 227 228 229 230
(A2)--V (E)--V (E)--V (A1)--V (A1)--V
Eigenvalues -- 13.91841 13.94562 13.94562 13.95181 14.07442
1 1 P 1S 0.00000 0.00000 0.00000 0.00228 0.00069
2 2S 0.00000 0.00000 0.00000 0.00576 -0.00841
3 3S 0.00000 0.00000 0.00000 0.05650 0.03206
4 4S 0.00000 0.00000 0.00000 0.31147 0.08276
5 5S 0.00000 0.00000 0.00000 -1.04780 -0.61331
6 6S 0.00000 0.00000 0.00000 1.42845 2.56131
7 7S 0.00000 0.00000 0.00000 -0.01919 0.13463
8 8PX 0.00000 0.08334 0.00000 0.00000 0.00000
9 8PY 0.00000 0.00000 0.08334 0.00000 0.00000
10 8PZ 0.00000 0.00000 0.00000 -0.04578 -0.00489
11 9PX 0.00000 0.08560 0.00000 0.00000 0.00000
12 9PY 0.00000 0.00000 0.08560 0.00000 0.00000
13 9PZ 0.00000 0.00000 0.00000 -0.08039 -0.04266
14 10PX 0.00000 -0.19557 0.00000 0.00000 0.00000
15 10PY 0.00000 0.00000 -0.19557 0.00000 0.00000
16 10PZ 0.00000 0.00000 0.00000 -0.29290 -0.32821
17 11PX 0.00000 0.47019 0.00000 0.00000 0.00000
18 11PY 0.00000 0.00000 0.47019 0.00000 0.00000
19 11PZ 0.00000 0.00000 0.00000 0.91958 0.63738
20 12PX 0.00000 0.10969 0.00000 0.00000 0.00000
21 12PY 0.00000 0.00000 0.10969 0.00000 0.00000
22 12PZ 0.00000 0.00000 0.00000 -0.06812 0.01642
23 13PX 0.00000 -0.03812 0.00000 0.00000 0.00000
24 13PY 0.00000 0.00000 -0.03812 0.00000 0.00000
25 13PZ 0.00000 0.00000 0.00000 0.06710 0.12515
26 14D 0 0.00000 0.00000 0.00000 -0.19984 -0.85673
27 14D+1 0.00000 -0.02882 0.00000 0.00000 0.00000
28 14D-1 0.00000 0.00000 -0.02882 0.00000 0.00000
29 14D+2 0.00000 0.00000 0.59285 0.00000 0.00000
30 14D-2 0.00000 0.59285 0.00000 0.00000 0.00000
31 15D 0 0.00000 0.00000 0.00000 -1.00062 -1.46054
32 15D+1 0.00000 -0.54394 0.00000 0.00000 0.00000
33 15D-1 0.00000 0.00000 -0.54394 0.00000 0.00000
34 15D+2 0.00000 0.00000 1.43156 0.00000 0.00000
35 15D-2 0.00000 1.43156 0.00000 0.00000 0.00000
36 16D 0 0.00000 0.00000 0.00000 0.04498 0.10319
37 16D+1 0.00000 0.02649 0.00000 0.00000 0.00000
38 16D-1 0.00000 0.00000 0.02649 0.00000 0.00000
39 16D+2 0.00000 0.00000 -0.02104 0.00000 0.00000
40 16D-2 0.00000 -0.02104 0.00000 0.00000 0.00000
41 17D 0 0.00000 0.00000 0.00000 0.04214 0.04986
42 17D+1 0.00000 0.04025 0.00000 0.00000 0.00000
43 17D-1 0.00000 0.00000 0.04025 0.00000 0.00000
44 17D+2 0.00000 0.00000 -0.06677 0.00000 0.00000
45 17D-2 0.00000 -0.06677 0.00000 0.00000 0.00000
46 18F 0 0.00000 0.00000 0.00000 -0.11457 0.48703
47 18F+1 0.00000 -0.04123 0.00000 0.00000 0.00000
48 18F-1 0.00000 0.00000 -0.04123 0.00000 0.00000
49 18F+2 0.00000 0.00000 -0.26490 0.00000 0.00000
50 18F-2 0.00000 -0.26490 0.00000 0.00000 0.00000
51 18F+3 0.45054 0.00000 0.00000 0.00000 0.00000
52 18F-3 0.00000 0.00000 0.00000 -0.31207 -0.13815
53 19F 0 0.00000 0.00000 0.00000 0.21274 0.42262
54 19F+1 0.00000 0.17802 0.00000 0.00000 0.00000
55 19F-1 0.00000 0.00000 0.17802 0.00000 0.00000
56 19F+2 0.00000 0.00000 -0.65413 0.00000 0.00000
57 19F-2 0.00000 -0.65413 0.00000 0.00000 0.00000
58 19F+3 0.76462 0.00000 0.00000 0.00000 0.00000
59 19F-3 0.00000 0.00000 0.00000 -0.33408 -0.18132
60 20F 0 0.00000 0.00000 0.00000 -0.01062 0.03219
61 20F+1 0.00000 0.03565 0.00000 0.00000 0.00000
62 20F-1 0.00000 0.00000 0.03565 0.00000 0.00000
63 20F+2 0.00000 0.00000 -0.17423 0.00000 0.00000
64 20F-2 0.00000 -0.17423 0.00000 0.00000 0.00000
65 20F+3 0.13699 0.00000 0.00000 0.00000 0.00000
66 20F-3 0.00000 0.00000 0.00000 -0.02212 -0.13314
67 21G 0 0.00000 0.00000 0.00000 0.22084 -0.08881
68 21G+1 0.00000 0.06048 0.00000 0.00000 0.00000
69 21G-1 0.00000 0.00000 0.06048 0.00000 0.00000
70 21G+2 0.00000 0.00000 0.07166 0.00000 0.00000
71 21G-2 0.00000 0.07166 0.00000 0.00000 0.00000
72 21G+3 -0.41995 0.00000 0.00000 0.00000 0.00000
73 21G-3 0.00000 0.00000 0.00000 0.07018 -0.14938
74 21G+4 0.00000 0.00000 0.13936 0.00000 0.00000
75 21G-4 0.00000 -0.13936 0.00000 0.00000 0.00000
76 22G 0 0.00000 0.00000 0.00000 0.07428 0.21565
77 22G+1 0.00000 0.00549 0.00000 0.00000 0.00000
78 22G-1 0.00000 0.00000 0.00549 0.00000 0.00000
79 22G+2 0.00000 0.00000 0.10624 0.00000 0.00000
80 22G-2 0.00000 0.10624 0.00000 0.00000 0.00000
81 22G+3 -0.25506 0.00000 0.00000 0.00000 0.00000
82 22G-3 0.00000 0.00000 0.00000 -0.05629 -0.02631
83 22G+4 0.00000 0.00000 0.11687 0.00000 0.00000
84 22G-4 0.00000 -0.11687 0.00000 0.00000 0.00000
85 23H 0 0.00000 0.00000 0.00000 -0.06389 -0.09915
86 23H+1 0.00000 -0.06506 0.00000 0.00000 0.00000
87 23H-1 0.00000 0.00000 -0.06506 0.00000 0.00000
88 23H+2 0.00000 0.00000 -0.02017 0.00000 0.00000
89 23H-2 0.00000 -0.02017 0.00000 0.00000 0.00000
90 23H+3 0.13363 0.00000 0.00000 0.00000 0.00000
91 23H-3 0.00000 0.00000 0.00000 0.13595 0.24157
92 23H+4 0.00000 0.00000 -0.05727 0.00000 0.00000
93 23H-4 0.00000 0.05727 0.00000 0.00000 0.00000
94 23H+5 0.00000 0.06479 0.00000 0.00000 0.00000
95 23H-5 0.00000 0.00000 -0.06479 0.00000 0.00000
96 2 H 1S 0.00000 0.00000 0.20089 -0.18655 -0.44055
97 2S 0.00000 0.00000 -0.41282 0.33162 0.85877
98 3S 0.00000 0.00000 0.62171 -0.34776 -0.90064
99 4S 0.00000 0.00000 0.58069 -0.17668 -0.43338
100 5S 0.00000 0.00000 0.06679 0.00254 -0.03701
101 6PX -0.07561 0.11881 0.00000 0.00000 0.00000
102 6PY 0.00000 0.00000 0.01854 -0.00242 -0.04990
103 6PZ 0.00000 0.00000 -0.02805 0.05372 0.09621
104 7PX -0.06507 0.09151 0.00000 0.00000 0.00000
105 7PY 0.00000 0.00000 0.01656 0.02837 0.00911
106 7PZ 0.00000 0.00000 -0.02468 0.03561 0.06049
107 8PX 0.41450 -0.51137 0.00000 0.00000 0.00000
108 8PY 0.00000 0.00000 -0.13363 -0.15708 -0.07162
109 8PZ 0.00000 0.00000 0.14974 -0.21714 -0.30270
110 9PX 0.59872 -0.91919 0.00000 0.00000 0.00000
111 9PY 0.00000 0.00000 -0.33142 -0.07604 -0.00063
112 9PZ 0.00000 0.00000 0.28982 -0.38458 -0.86998
113 10D 0 0.00000 0.00000 -0.14247 -0.62950 0.17755
114 10D+1 0.69600 -0.63459 0.00000 0.00000 0.00000
115 10D-1 0.00000 0.00000 -0.17283 -0.22731 0.35734
116 10D+2 0.00000 0.00000 0.06667 0.35174 -0.38586
117 10D-2 0.03360 0.14719 0.00000 0.00000 0.00000
118 11D 0 0.00000 0.00000 0.11765 0.61896 -0.16486
119 11D+1 -0.67724 0.65969 0.00000 0.00000 0.00000
120 11D-1 0.00000 0.00000 0.17391 0.19282 -0.43060
121 11D+2 0.00000 0.00000 -0.06320 -0.33839 0.37837
122 11D-2 -0.00330 -0.22421 0.00000 0.00000 0.00000
123 12D 0 0.00000 0.00000 0.05412 -0.69763 -0.29230
124 12D+1 0.69114 -0.84353 0.00000 0.00000 0.00000
125 12D-1 0.00000 0.00000 -0.24422 0.01946 0.65741
126 12D+2 0.00000 0.00000 -0.06850 -0.03534 -0.52786
127 12D-2 -0.52584 0.95187 0.00000 0.00000 0.00000
128 13F 0 0.00000 0.00000 -0.04576 0.18245 -0.04364
129 13F+1 -0.09982 0.07795 0.00000 0.00000 0.00000
130 13F-1 0.00000 0.00000 0.09676 -0.25077 -0.22784
131 13F+2 0.00000 0.00000 0.06191 0.01981 -0.09611
132 13F-2 0.27044 -0.51603 0.00000 0.00000 0.00000
133 13F+3 0.16556 -0.40162 0.00000 0.00000 0.00000
134 13F-3 0.00000 0.00000 0.04292 -0.09173 -0.28084
135 14F 0 0.00000 0.00000 0.04511 -0.20417 0.00382
136 14F+1 0.09758 -0.07909 0.00000 0.00000 0.00000
137 14F-1 0.00000 0.00000 -0.11081 0.30618 0.33885
138 14F+2 0.00000 0.00000 -0.07245 -0.03718 0.09234
139 14F-2 -0.34387 0.59694 0.00000 0.00000 0.00000
140 14F+3 -0.25538 0.51196 0.00000 0.00000 0.00000
141 14F-3 0.00000 0.00000 -0.00101 0.13466 0.35330
142 15G 0 0.00000 0.00000 -0.02181 0.02347 0.05230
143 15G+1 -0.05668 0.09094 0.00000 0.00000 0.00000
144 15G-1 0.00000 0.00000 -0.04991 0.17050 0.16080
145 15G+2 0.00000 0.00000 -0.03230 0.10897 0.18612
146 15G-2 -0.10131 0.11243 0.00000 0.00000 0.00000
147 15G+3 -0.25071 0.39231 0.00000 0.00000 0.00000
148 15G-3 0.00000 0.00000 0.05856 0.05808 0.03881
149 15G+4 0.00000 0.00000 0.05198 0.11197 0.21291
150 15G-4 0.16196 -0.29495 0.00000 0.00000 0.00000
151 3 H 1S 0.00000 0.17398 -0.10045 -0.18655 -0.44055
152 2S 0.00000 -0.35752 0.20641 0.33162 0.85877
153 3S 0.00000 0.53842 -0.31085 -0.34776 -0.90064
154 4S 0.00000 0.50289 -0.29034 -0.17668 -0.43338
155 5S 0.00000 0.05785 -0.03340 0.00254 -0.03701
156 6PX 0.03780 0.04361 0.04342 -0.00210 -0.04322
157 6PY 0.06548 0.04342 0.09374 0.00121 0.02495
158 6PZ 0.00000 -0.02429 0.01403 0.05372 0.09621
159 7PX 0.03254 0.03530 0.03245 0.02457 0.00789
160 7PY 0.05636 0.03245 0.07277 -0.01419 -0.00455
161 7PZ 0.00000 -0.02137 0.01234 0.03561 0.06049
162 8PX -0.20725 -0.22806 -0.16357 -0.13603 -0.06202
163 8PY -0.35896 -0.16357 -0.41694 0.07854 0.03581
164 8PZ 0.00000 0.12968 -0.07487 -0.21714 -0.30270
165 9PX -0.29936 -0.47836 -0.25451 -0.06585 -0.00054
166 9PY -0.51851 -0.25451 -0.77224 0.03802 0.00031
167 9PZ 0.00000 0.25099 -0.14491 -0.38458 -0.86998
168 10D 0 0.00000 -0.12338 0.07123 -0.62950 0.17755
169 10D+1 -0.34800 -0.28827 -0.19995 -0.19686 0.30946
170 10D-1 -0.60275 -0.19995 -0.51915 0.11366 -0.17867
171 10D+2 -0.02910 0.03487 0.12706 -0.17587 0.19293
172 10D-2 -0.01680 0.08680 0.03487 0.30461 -0.33416
173 11D 0 0.00000 0.10189 -0.05882 0.61896 -0.16486
174 11D+1 0.33862 0.29536 0.21035 0.16699 -0.37291
175 11D-1 0.58650 0.21035 0.53824 -0.09641 0.21530
176 11D+2 0.00285 -0.06972 -0.18396 0.16919 -0.18919
177 11D-2 0.00165 -0.10345 -0.06972 -0.29305 0.32768
178 12D 0 0.00000 0.04687 -0.02706 -0.69763 -0.29230
179 12D+1 -0.34557 -0.39405 -0.25951 0.01685 0.56933
180 12D-1 -0.59855 -0.25951 -0.69370 -0.00973 -0.32870
181 12D+2 0.45539 0.44183 0.69678 0.01767 0.26393
182 12D-2 0.26292 0.18659 0.44183 -0.03060 -0.45714
183 13F 0 0.00000 -0.03963 0.02288 0.18245 -0.04364
184 13F+1 0.04991 0.09205 -0.00814 -0.21718 -0.19731
185 13F-1 0.08645 -0.00814 0.08265 0.12539 0.11392
186 13F+2 -0.23420 -0.25026 -0.37155 -0.00990 0.04806
187 13F-2 -0.13522 -0.08257 -0.25026 0.01716 -0.08324
188 13F+3 0.16556 0.20081 0.34781 0.00000 0.00000
189 13F-3 0.00000 0.03717 -0.02146 -0.09173 -0.28084
190 14F 0 0.00000 0.03907 -0.02256 -0.20417 0.00382
191 14F+1 -0.04879 -0.10288 0.01374 0.26516 0.29346
192 14F-1 -0.08451 0.01374 -0.08702 -0.15309 -0.16943
193 14F+2 0.29780 0.28985 0.42959 0.01859 -0.04617
194 14F-2 0.17194 0.09490 0.28985 -0.03220 0.07997
195 14F+3 -0.25538 -0.25598 -0.44337 0.00000 0.00000
196 14F-3 0.00000 -0.00087 0.00050 0.13466 0.35330
197 15G 0 0.00000 -0.01888 0.01090 0.02347 0.05230
198 15G+1 0.02834 -0.01470 0.06099 0.14766 0.13925
199 15G-1 0.04909 0.06099 0.05573 -0.08525 -0.08040
200 15G+2 0.08774 0.06267 0.07625 -0.05449 -0.09306
201 15G-2 0.05066 0.00388 0.06267 0.09437 0.16118
202 15G+3 -0.25071 -0.19615 -0.33975 0.00000 0.00000
203 15G-3 0.00000 0.05072 -0.02928 0.05808 0.03881
204 15G+4 0.14026 0.10521 0.23421 -0.05598 -0.10646
205 15G-4 -0.08098 -0.11272 -0.10521 -0.09697 -0.18439
206 4 H 1S 0.00000 -0.17398 -0.10045 -0.18655 -0.44055
207 2S 0.00000 0.35752 0.20641 0.33162 0.85877
208 3S 0.00000 -0.53842 -0.31085 -0.34776 -0.90064
209 4S 0.00000 -0.50289 -0.29034 -0.17668 -0.43338
210 5S 0.00000 -0.05785 -0.03340 0.00254 -0.03701
211 6PX 0.03780 0.04361 -0.04342 0.00210 0.04322
212 6PY -0.06548 -0.04342 0.09374 0.00121 0.02495
213 6PZ 0.00000 0.02429 0.01403 0.05372 0.09621
214 7PX 0.03254 0.03530 -0.03245 -0.02457 -0.00789
215 7PY -0.05636 -0.03245 0.07277 -0.01419 -0.00455
216 7PZ 0.00000 0.02137 0.01234 0.03561 0.06049
217 8PX -0.20725 -0.22806 0.16357 0.13603 0.06202
218 8PY 0.35896 0.16357 -0.41694 0.07854 0.03581
219 8PZ 0.00000 -0.12968 -0.07487 -0.21714 -0.30270
220 9PX -0.29936 -0.47836 0.25451 0.06585 0.00054
221 9PY 0.51851 0.25451 -0.77224 0.03802 0.00031
222 9PZ 0.00000 -0.25099 -0.14491 -0.38458 -0.86998
223 10D 0 0.00000 0.12338 0.07123 -0.62950 0.17755
224 10D+1 -0.34800 -0.28827 0.19995 0.19686 -0.30946
225 10D-1 0.60275 0.19995 -0.51915 0.11366 -0.17867
226 10D+2 0.02910 -0.03487 0.12706 -0.17587 0.19293
227 10D-2 -0.01680 0.08680 -0.03487 -0.30461 0.33416
228 11D 0 0.00000 -0.10189 -0.05882 0.61896 -0.16486
229 11D+1 0.33862 0.29536 -0.21035 -0.16699 0.37291
230 11D-1 -0.58650 -0.21035 0.53824 -0.09641 0.21530
231 11D+2 -0.00285 0.06972 -0.18396 0.16919 -0.18919
232 11D-2 0.00165 -0.10345 0.06972 0.29305 -0.32768
233 12D 0 0.00000 -0.04687 -0.02706 -0.69763 -0.29230
234 12D+1 -0.34557 -0.39405 0.25951 -0.01685 -0.56933
235 12D-1 0.59855 0.25951 -0.69370 -0.00973 -0.32870
236 12D+2 -0.45539 -0.44183 0.69678 0.01767 0.26393
237 12D-2 0.26292 0.18659 -0.44183 0.03060 0.45714
238 13F 0 0.00000 0.03963 0.02288 0.18245 -0.04364
239 13F+1 0.04991 0.09205 0.00814 0.21718 0.19731
240 13F-1 -0.08645 0.00814 0.08265 0.12539 0.11392
241 13F+2 0.23420 0.25026 -0.37155 -0.00990 0.04806
242 13F-2 -0.13522 -0.08257 0.25026 -0.01716 0.08324
243 13F+3 0.16556 0.20081 -0.34781 0.00000 0.00000
244 13F-3 0.00000 -0.03717 -0.02146 -0.09173 -0.28084
245 14F 0 0.00000 -0.03907 -0.02256 -0.20417 0.00382
246 14F+1 -0.04879 -0.10288 -0.01374 -0.26516 -0.29346
247 14F-1 0.08451 -0.01374 -0.08702 -0.15309 -0.16943
248 14F+2 -0.29780 -0.28985 0.42959 0.01859 -0.04617
249 14F-2 0.17194 0.09490 -0.28985 0.03220 -0.07997
250 14F+3 -0.25538 -0.25598 0.44337 0.00000 0.00000
251 14F-3 0.00000 0.00087 0.00050 0.13466 0.35330
252 15G 0 0.00000 0.01888 0.01090 0.02347 0.05230
253 15G+1 0.02834 -0.01470 -0.06099 -0.14766 -0.13925
254 15G-1 -0.04909 -0.06099 0.05573 -0.08525 -0.08040
255 15G+2 -0.08774 -0.06267 0.07625 -0.05449 -0.09306
256 15G-2 0.05066 0.00388 -0.06267 -0.09437 -0.16118
257 15G+3 -0.25071 -0.19615 0.33975 0.00000 0.00000
258 15G-3 0.00000 -0.05072 -0.02928 0.05808 0.03881
259 15G+4 -0.14026 -0.10521 0.23421 -0.05598 -0.10646
260 15G-4 -0.08098 -0.11272 0.10521 0.09697 0.18439
231 232 233 234 235
(E)--V (E)--V (A1)--V (A2)--V (E)--V
Eigenvalues -- 14.08049 14.08049 14.15531 14.19934 14.20356
1 1 P 1S 0.00000 0.00000 -0.01106 0.00000 0.00000
2 2S 0.00000 0.00000 -0.02795 0.00000 0.00000
3 3S 0.00000 0.00000 -0.28163 0.00000 0.00000
4 4S 0.00000 0.00000 -1.62824 0.00000 0.00000
5 5S 0.00000 0.00000 1.42239 0.00000 0.00000
6 6S 0.00000 0.00000 10.06085 0.00000 0.00000
7 7S 0.00000 0.00000 3.91112 0.00000 0.00000
8 8PX 0.17728 0.00000 0.00000 0.00000 -0.15480
9 8PY 0.00000 0.17728 0.00000 0.00000 0.00000
10 8PZ 0.00000 0.00000 0.10998 0.00000 0.00000
11 9PX 0.22152 0.00000 0.00000 0.00000 -0.22764
12 9PY 0.00000 0.22152 0.00000 0.00000 0.00000
13 9PZ 0.00000 0.00000 0.16297 0.00000 0.00000
14 10PX 0.12729 0.00000 0.00000 0.00000 -0.56142
15 10PY 0.00000 0.12729 0.00000 0.00000 0.00000
16 10PZ 0.00000 0.00000 0.61691 0.00000 0.00000
17 11PX -1.07405 0.00000 0.00000 0.00000 2.31166
18 11PY 0.00000 -1.07405 0.00000 0.00000 0.00000
19 11PZ 0.00000 0.00000 -3.14080 0.00000 0.00000
20 12PX -0.58814 0.00000 0.00000 0.00000 4.40354
21 12PY 0.00000 -0.58814 0.00000 0.00000 0.00000
22 12PZ 0.00000 0.00000 -4.78743 0.00000 0.00000
23 13PX -0.02507 0.00000 0.00000 0.00000 0.35218
24 13PY 0.00000 -0.02507 0.00000 0.00000 0.00000
25 13PZ 0.00000 0.00000 -0.71236 0.00000 0.00000
26 14D 0 0.00000 0.00000 0.36259 0.00000 0.00000
27 14D+1 0.02041 0.00000 0.00000 0.00000 -1.67228
28 14D-1 0.00000 0.02041 0.00000 0.00000 0.00000
29 14D+2 0.00000 0.18776 0.00000 0.00000 0.00000
30 14D-2 0.18776 0.00000 0.00000 0.00000 -1.01973
31 15D 0 0.00000 0.00000 0.60227 0.00000 0.00000
32 15D+1 0.88181 0.00000 0.00000 0.00000 -1.19417
33 15D-1 0.00000 0.88181 0.00000 0.00000 0.00000
34 15D+2 0.00000 0.11987 0.00000 0.00000 0.00000
35 15D-2 0.11987 0.00000 0.00000 0.00000 -0.34804
36 16D 0 0.00000 0.00000 -0.10533 0.00000 0.00000
37 16D+1 0.31193 0.00000 0.00000 0.00000 -0.23427
38 16D-1 0.00000 0.31193 0.00000 0.00000 0.00000
39 16D+2 0.00000 0.20137 0.00000 0.00000 0.00000
40 16D-2 0.20137 0.00000 0.00000 0.00000 -0.17112
41 17D 0 0.00000 0.00000 0.00510 0.00000 0.00000
42 17D+1 -0.14391 0.00000 0.00000 0.00000 0.09743
43 17D-1 0.00000 -0.14391 0.00000 0.00000 0.00000
44 17D+2 0.00000 -0.04947 0.00000 0.00000 0.00000
45 17D-2 -0.04947 0.00000 0.00000 0.00000 0.01881
46 18F 0 0.00000 0.00000 0.14175 0.00000 0.00000
47 18F+1 0.15123 0.00000 0.00000 0.00000 0.21581
48 18F-1 0.00000 0.15123 0.00000 0.00000 0.00000
49 18F+2 0.00000 -0.07109 0.00000 0.00000 0.00000
50 18F-2 -0.07109 0.00000 0.00000 0.00000 0.37404
51 18F+3 0.00000 0.00000 0.00000 0.12099 0.00000
52 18F-3 0.00000 0.00000 -0.26051 0.00000 0.00000
53 19F 0 0.00000 0.00000 0.02153 0.00000 0.00000
54 19F+1 -0.44235 0.00000 0.00000 0.00000 -0.35982
55 19F-1 0.00000 -0.44235 0.00000 0.00000 0.00000
56 19F+2 0.00000 -0.36399 0.00000 0.00000 0.00000
57 19F-2 -0.36399 0.00000 0.00000 0.00000 0.05067
58 19F+3 0.00000 0.00000 0.00000 -0.47333 0.00000
59 19F-3 0.00000 0.00000 -0.04273 0.00000 0.00000
60 20F 0 0.00000 0.00000 0.20065 0.00000 0.00000
61 20F+1 -0.27547 0.00000 0.00000 0.00000 0.10388
62 20F-1 0.00000 -0.27547 0.00000 0.00000 0.00000
63 20F+2 0.00000 -0.17591 0.00000 0.00000 0.00000
64 20F-2 -0.17591 0.00000 0.00000 0.00000 0.04708
65 20F+3 0.00000 0.00000 0.00000 -0.24892 0.00000
66 20F-3 0.00000 0.00000 -0.20435 0.00000 0.00000
67 21G 0 0.00000 0.00000 -0.04651 0.00000 0.00000
68 21G+1 -0.10208 0.00000 0.00000 0.00000 0.23881
69 21G-1 0.00000 -0.10208 0.00000 0.00000 0.00000
70 21G+2 0.00000 0.26108 0.00000 0.00000 0.00000
71 21G-2 0.26108 0.00000 0.00000 0.00000 -0.21160
72 21G+3 0.00000 0.00000 0.00000 0.04467 0.00000
73 21G-3 0.00000 0.00000 0.01797 0.00000 0.00000
74 21G+4 0.00000 -0.04041 0.00000 0.00000 0.00000
75 21G-4 0.04041 0.00000 0.00000 0.00000 -0.32018
76 22G 0 0.00000 0.00000 -0.10232 0.00000 0.00000
77 22G+1 0.19206 0.00000 0.00000 0.00000 0.11842
78 22G-1 0.00000 0.19206 0.00000 0.00000 0.00000
79 22G+2 0.00000 0.28987 0.00000 0.00000 0.00000
80 22G-2 0.28987 0.00000 0.00000 0.00000 -0.00184
81 22G+3 0.00000 0.00000 0.00000 0.42610 0.00000
82 22G-3 0.00000 0.00000 0.06706 0.00000 0.00000
83 22G+4 0.00000 0.09406 0.00000 0.00000 0.00000
84 22G-4 -0.09406 0.00000 0.00000 0.00000 -0.21986
85 23H 0 0.00000 0.00000 0.03661 0.00000 0.00000
86 23H+1 0.07859 0.00000 0.00000 0.00000 -0.06420
87 23H-1 0.00000 0.07859 0.00000 0.00000 0.00000
88 23H+2 0.00000 -0.15089 0.00000 0.00000 0.00000
89 23H-2 -0.15089 0.00000 0.00000 0.00000 0.19317
90 23H+3 0.00000 0.00000 0.00000 -0.12503 0.00000
91 23H-3 0.00000 0.00000 0.03121 0.00000 0.00000
92 23H+4 0.00000 0.01151 0.00000 0.00000 0.00000
93 23H-4 -0.01151 0.00000 0.00000 0.00000 0.22050
94 23H+5 -0.08130 0.00000 0.00000 0.00000 0.14968
95 23H-5 0.00000 0.08130 0.00000 0.00000 0.00000
96 2 H 1S 0.00000 0.31741 -0.81168 0.00000 0.00000
97 2S 0.00000 -0.68822 1.81063 0.00000 0.00000
98 3S 0.00000 0.78912 -2.27002 0.00000 0.00000
99 4S 0.00000 1.86482 -4.03864 0.00000 0.00000
100 5S 0.00000 0.04726 -0.42697 0.00000 0.00000
101 6PX 0.03538 0.00000 0.00000 0.09199 0.02089
102 6PY 0.00000 0.12483 -0.17663 0.00000 0.00000
103 6PZ 0.00000 0.02988 0.07503 0.00000 0.00000
104 7PX 0.00884 0.00000 0.00000 0.01577 0.04482
105 7PY 0.00000 0.09111 -0.14134 0.00000 0.00000
106 7PZ 0.00000 -0.00895 0.06247 0.00000 0.00000
107 8PX -0.03422 0.00000 0.00000 -0.17143 -0.26929
108 8PY 0.00000 -0.55168 0.77408 0.00000 0.00000
109 8PZ 0.00000 0.04258 -0.34369 0.00000 0.00000
110 9PX -0.32507 0.00000 0.00000 -0.40863 -0.50115
111 9PY 0.00000 -1.59341 2.45231 0.00000 0.00000
112 9PZ 0.00000 0.36482 -1.00972 0.00000 0.00000
113 10D 0 0.00000 -0.23089 0.05253 0.00000 0.00000
114 10D+1 0.32298 0.00000 0.00000 0.47113 0.50908
115 10D-1 0.00000 0.01521 0.12256 0.00000 0.00000
116 10D+2 0.00000 -0.37855 0.37589 0.00000 0.00000
117 10D-2 0.28425 0.00000 0.00000 0.42984 0.54908
118 11D 0 0.00000 0.29907 -0.08459 0.00000 0.00000
119 11D+1 -0.32703 0.00000 0.00000 -0.46623 -0.49150
120 11D-1 0.00000 -0.00162 -0.17694 0.00000 0.00000
121 11D+2 0.00000 0.43760 -0.45616 0.00000 0.00000
122 11D-2 -0.34304 0.00000 0.00000 -0.51206 -0.52425
123 12D 0 0.00000 -0.84220 0.35255 0.00000 0.00000
124 12D+1 0.27437 0.00000 0.00000 0.02489 -0.28533
125 12D-1 0.00000 -0.31797 0.75454 0.00000 0.00000
126 12D+2 0.00000 -1.00321 1.06399 0.00000 0.00000
127 12D-2 0.47784 0.00000 0.00000 0.79462 0.55282
128 13F 0 0.00000 0.18879 -0.14286 0.00000 0.00000
129 13F+1 -0.11803 0.00000 0.00000 -0.10936 0.16782
130 13F-1 0.00000 -0.41903 0.09658 0.00000 0.00000
131 13F+2 0.00000 0.13834 -0.16170 0.00000 0.00000
132 13F-2 0.09926 0.00000 0.00000 -0.07381 -0.20571
133 13F+3 -0.24586 0.00000 0.00000 -0.37331 -0.04182
134 13F-3 0.00000 -0.18459 0.23346 0.00000 0.00000
135 14F 0 0.00000 -0.31929 0.21302 0.00000 0.00000
136 14F+1 0.14424 0.00000 0.00000 0.07972 -0.27106
137 14F-1 0.00000 0.53709 -0.10804 0.00000 0.00000
138 14F+2 0.00000 -0.22998 0.26980 0.00000 0.00000
139 14F-2 -0.09301 0.00000 0.00000 0.20158 0.39490
140 14F+3 0.28320 0.00000 0.00000 0.45904 0.07453
141 14F-3 0.00000 0.32102 -0.32377 0.00000 0.00000
142 15G 0 0.00000 0.05993 0.00807 0.00000 0.00000
143 15G+1 0.03145 0.00000 0.00000 0.04726 -0.02728
144 15G-1 0.00000 0.43933 -0.12066 0.00000 0.00000
145 15G+2 0.00000 0.21331 0.01561 0.00000 0.00000
146 15G-2 -0.09289 0.00000 0.00000 0.04518 0.34495
147 15G+3 0.02810 0.00000 0.00000 0.25777 0.25590
148 15G-3 0.00000 0.22050 -0.12334 0.00000 0.00000
149 15G+4 0.00000 0.20109 -0.10133 0.00000 0.00000
150 15G-4 -0.19402 0.00000 0.00000 -0.23924 0.03845
151 3 H 1S 0.27488 -0.15870 -0.81168 0.00000 -0.35944
152 2S -0.59602 0.34411 1.81063 0.00000 0.89229
153 3S 0.68339 -0.39456 -2.27002 0.00000 -1.77115
154 4S 1.61498 -0.93241 -4.03864 0.00000 -3.97167
155 5S 0.04093 -0.02363 -0.42697 0.00000 -0.00969
156 6PX 0.10246 -0.03873 -0.15297 -0.04600 0.00184
157 6PY -0.03873 0.05774 0.08832 -0.07967 0.01099
158 6PZ 0.02588 -0.01494 0.07503 0.00000 0.08972
159 7PX 0.07054 -0.03562 -0.12240 -0.00789 -0.06234
160 7PY -0.03562 0.02941 0.07067 -0.01366 0.06187
161 7PZ -0.00775 0.00447 0.06247 0.00000 0.05485
162 8PX -0.42232 0.22407 0.67037 0.08571 0.39434
163 8PY 0.22407 -0.16359 -0.38704 0.14846 -0.38315
164 8PZ 0.03688 -0.02129 -0.34369 0.00000 -0.44979
165 9PX -1.27632 0.54921 2.12377 0.20432 1.32194
166 9PY 0.54921 -0.64215 -1.22616 0.35389 -1.05256
167 9PZ 0.31594 -0.18241 -1.00972 0.00000 -1.34519
168 10D 0 -0.19996 0.11545 0.05253 0.00000 0.00419
169 10D+1 0.09215 0.13327 0.10614 -0.23557 0.40258
170 10D-1 0.13327 0.24604 -0.06128 -0.40801 0.06149
171 10D+2 0.28700 0.11855 -0.18794 -0.37225 0.15295
172 10D-2 -0.21285 0.28700 0.32553 -0.21492 0.28417
173 11D 0 0.25901 -0.14954 -0.08459 0.00000 0.04844
174 11D+1 -0.08297 -0.14091 -0.15323 0.23312 -0.44044
175 11D-1 -0.14091 -0.24568 0.08847 0.40377 -0.02948
176 11D+2 -0.33803 -0.14788 0.22808 0.44346 -0.15040
177 11D-2 0.24244 -0.33803 -0.39504 0.25603 -0.26375
178 12D 0 -0.72937 0.42110 0.35255 0.00000 -0.19480
179 12D+1 -0.16989 0.25649 0.65345 -0.01245 0.74238
180 12D-1 0.25649 0.12628 -0.37727 -0.02156 -0.59334
181 12D+2 0.64131 0.10757 -0.53199 -0.68816 0.01294
182 12D-2 -0.63295 0.64131 0.92144 -0.39731 0.53041
183 13F 0 0.16350 -0.09440 -0.14286 0.00000 -0.09997
184 13F+1 -0.34378 0.13034 0.08364 0.05468 -0.17077
185 13F-1 0.13034 -0.19328 -0.04829 0.09470 0.19548
186 13F+2 -0.01692 0.10903 0.08085 0.06393 0.00842
187 13F-2 0.12857 -0.01692 -0.14004 0.03691 -0.22029
188 13F+3 0.12293 0.21292 0.00000 -0.37331 0.02091
189 13F-3 -0.15986 0.09229 0.23346 0.00000 0.08978
190 14F 0 -0.27651 0.15965 0.21302 0.00000 0.14949
191 14F+1 0.43888 -0.17011 -0.09356 -0.03986 0.18962
192 14F-1 -0.17011 0.24246 0.05402 -0.06904 -0.26597
193 14F+2 0.05931 -0.12725 -0.13490 -0.17457 0.01882
194 14F-2 -0.19573 0.05931 0.23365 -0.10079 0.36230
195 14F+3 -0.14160 -0.24526 0.00000 0.45904 -0.03727
196 14F-3 0.27801 -0.16051 -0.32377 0.00000 -0.15591
197 15G 0 0.05190 -0.02996 0.00807 0.00000 0.12257
198 15G+1 0.33736 -0.17662 -0.10449 -0.02363 -0.04746
199 15G-1 -0.17662 0.13342 0.06033 -0.04093 0.01165
200 15G+2 -0.13259 -0.01634 -0.00781 -0.03913 0.07890
201 15G-2 0.13676 -0.13259 0.01352 -0.02259 0.20829
202 15G+3 -0.01405 -0.02434 0.00000 0.25777 -0.12795
203 15G-3 0.19096 -0.11025 -0.12334 0.00000 -0.14320
204 15G+4 -0.00307 0.19579 0.05066 -0.20719 0.04883
205 15G-4 -0.19933 0.00307 0.08775 0.11962 0.12302
206 4 H 1S -0.27488 -0.15870 -0.81168 0.00000 0.35944
207 2S 0.59602 0.34411 1.81063 0.00000 -0.89229
208 3S -0.68339 -0.39456 -2.27002 0.00000 1.77115
209 4S -1.61498 -0.93241 -4.03864 0.00000 3.97167
210 5S -0.04093 -0.02363 -0.42697 0.00000 0.00969
211 6PX 0.10246 0.03873 0.15297 -0.04600 0.00184
212 6PY 0.03873 0.05774 0.08832 0.07967 -0.01099
213 6PZ -0.02588 -0.01494 0.07503 0.00000 -0.08972
214 7PX 0.07054 0.03562 0.12240 -0.00789 -0.06234
215 7PY 0.03562 0.02941 0.07067 0.01366 -0.06187
216 7PZ 0.00775 0.00447 0.06247 0.00000 -0.05485
217 8PX -0.42232 -0.22407 -0.67037 0.08571 0.39434
218 8PY -0.22407 -0.16359 -0.38704 -0.14846 0.38315
219 8PZ -0.03688 -0.02129 -0.34369 0.00000 0.44979
220 9PX -1.27632 -0.54921 -2.12377 0.20432 1.32194
221 9PY -0.54921 -0.64215 -1.22616 -0.35389 1.05256
222 9PZ -0.31594 -0.18241 -1.00972 0.00000 1.34519
223 10D 0 0.19996 0.11545 0.05253 0.00000 -0.00419
224 10D+1 0.09215 -0.13327 -0.10614 -0.23557 0.40258
225 10D-1 -0.13327 0.24604 -0.06128 0.40801 -0.06149
226 10D+2 -0.28700 0.11855 -0.18794 0.37225 -0.15295
227 10D-2 -0.21285 -0.28700 -0.32553 -0.21492 0.28417
228 11D 0 -0.25901 -0.14954 -0.08459 0.00000 -0.04844
229 11D+1 -0.08297 0.14091 0.15323 0.23312 -0.44044
230 11D-1 0.14091 -0.24568 0.08847 -0.40377 0.02948
231 11D+2 0.33803 -0.14788 0.22808 -0.44346 0.15040
232 11D-2 0.24244 0.33803 0.39504 0.25603 -0.26375
233 12D 0 0.72937 0.42110 0.35255 0.00000 0.19480
234 12D+1 -0.16989 -0.25649 -0.65345 -0.01245 0.74238
235 12D-1 -0.25649 0.12628 -0.37727 0.02156 0.59334
236 12D+2 -0.64131 0.10757 -0.53199 0.68816 -0.01294
237 12D-2 -0.63295 -0.64131 -0.92144 -0.39731 0.53041
238 13F 0 -0.16350 -0.09440 -0.14286 0.00000 0.09997
239 13F+1 -0.34378 -0.13034 -0.08364 0.05468 -0.17077
240 13F-1 -0.13034 -0.19328 -0.04829 -0.09470 -0.19548
241 13F+2 0.01692 0.10903 0.08085 -0.06393 -0.00842
242 13F-2 0.12857 0.01692 0.14004 0.03691 -0.22029
243 13F+3 0.12293 -0.21292 0.00000 -0.37331 0.02091
244 13F-3 0.15986 0.09229 0.23346 0.00000 -0.08978
245 14F 0 0.27651 0.15965 0.21302 0.00000 -0.14949
246 14F+1 0.43888 0.17011 0.09356 -0.03986 0.18962
247 14F-1 0.17011 0.24246 0.05402 0.06904 0.26597
248 14F+2 -0.05931 -0.12725 -0.13490 0.17457 -0.01882
249 14F-2 -0.19573 -0.05931 -0.23365 -0.10079 0.36230
250 14F+3 -0.14160 0.24526 0.00000 0.45904 -0.03727
251 14F-3 -0.27801 -0.16051 -0.32377 0.00000 0.15591
252 15G 0 -0.05190 -0.02996 0.00807 0.00000 -0.12257
253 15G+1 0.33736 0.17662 0.10449 -0.02363 -0.04746
254 15G-1 0.17662 0.13342 0.06033 0.04093 -0.01165
255 15G+2 0.13259 -0.01634 -0.00781 0.03913 -0.07890
256 15G-2 0.13676 0.13259 -0.01352 -0.02259 0.20829
257 15G+3 -0.01405 0.02434 0.00000 0.25777 -0.12795
258 15G-3 -0.19096 -0.11025 -0.12334 0.00000 0.14320
259 15G+4 0.00307 0.19579 0.05066 0.20719 -0.04883
260 15G-4 -0.19933 -0.00307 -0.08775 0.11962 0.12302
236 237 238 239 240
(E)--V (E)--V (E)--V (E)--V (E)--V
Eigenvalues -- 14.20356 14.28330 14.28330 14.65409 14.65409
1 1 P 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 0.00000 -0.07257 0.05059 0.00000
9 8PY 0.15480 0.07257 0.00000 0.00000 0.05059
10 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
11 9PX 0.00000 0.00000 -0.09744 0.05273 0.00000
12 9PY 0.22764 0.09744 0.00000 0.00000 0.05273
13 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
14 10PX 0.00000 0.00000 -0.32129 -0.10779 0.00000
15 10PY 0.56142 0.32129 0.00000 0.00000 -0.10779
16 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000
17 11PX 0.00000 0.00000 1.92660 0.33971 0.00000
18 11PY -2.31166 -1.92660 0.00000 0.00000 0.33971
19 11PZ 0.00000 0.00000 0.00000 0.00000 0.00000
20 12PX 0.00000 0.00000 4.50470 0.07661 0.00000
21 12PY -4.40354 -4.50470 0.00000 0.00000 0.07661
22 12PZ 0.00000 0.00000 0.00000 0.00000 0.00000
23 13PX 0.00000 0.00000 0.37299 0.02297 0.00000
24 13PY -0.35218 -0.37299 0.00000 0.00000 0.02297
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 0.00000 -1.66104 0.12370 0.00000
28 14D-1 1.67228 1.66104 0.00000 0.00000 0.12370
29 14D+2 1.01973 0.96561 0.00000 0.00000 -0.40102
30 14D-2 0.00000 0.00000 -0.96561 -0.40102 0.00000
31 15D 0 0.00000 0.00000 0.00000 0.00000 0.00000
32 15D+1 0.00000 0.00000 -1.27950 -0.69130 0.00000
33 15D-1 1.19417 1.27950 0.00000 0.00000 -0.69130
34 15D+2 0.34804 1.01634 0.00000 0.00000 1.27049
35 15D-2 0.00000 0.00000 -1.01634 1.27049 0.00000
36 16D 0 0.00000 0.00000 0.00000 0.00000 0.00000
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38 16D-1 0.23427 0.01340 0.00000 0.00000 0.04059
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56 19F+2 -0.05067 0.15802 0.00000 0.00000 -0.76815
57 19F-2 0.00000 0.00000 -0.15802 -0.76815 0.00000
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62 20F-1 -0.10388 0.07429 0.00000 0.00000 0.02493
63 20F+2 -0.04708 -0.23151 0.00000 0.00000 -0.02934
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69 21G-1 -0.23881 0.16708 0.00000 0.00000 -0.14873
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71 21G-2 0.00000 0.00000 0.37013 -0.04283 0.00000
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97 2S -1.03033 -2.36414 0.00000 0.00000 0.03801
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99 4S 4.58609 4.91891 0.00000 0.00000 -0.28370
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112 9PZ 1.55329 1.73077 0.00000 0.00000 -0.15794
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117 10D-2 0.00000 0.00000 -0.11114 -0.90104 0.00000
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120 11D-1 0.42343 0.41327 0.00000 0.00000 -0.40474
121 11D+2 0.17691 0.23026 0.00000 0.00000 0.30154
122 11D-2 0.00000 0.00000 0.02007 1.00265 0.00000
123 12D 0 0.22494 0.12944 0.00000 0.00000 0.01593
124 12D+1 0.00000 0.00000 0.10278 -0.08647 0.00000
125 12D-1 -1.08494 -1.07632 0.00000 0.00000 -0.01768
126 12D+2 -0.52294 -0.64788 0.00000 0.00000 0.10120
127 12D-2 0.00000 0.00000 0.31487 0.06954 0.00000
128 13F 0 0.11544 0.06842 0.00000 0.00000 -0.00797
129 13F+1 0.00000 0.00000 -0.19174 0.00792 0.00000
130 13F-1 0.28363 0.13258 0.00000 0.00000 0.06158
131 13F+2 0.22515 0.17470 0.00000 0.00000 -0.01263
132 13F-2 0.00000 0.00000 0.05786 -0.03982 0.00000
133 13F+3 0.00000 0.00000 -0.25316 -0.13697 0.00000
134 13F-3 -0.10366 -0.11218 0.00000 0.00000 0.02158
135 14F 0 -0.17261 -0.07054 0.00000 0.00000 0.03320
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137 14F-1 -0.34318 -0.23312 0.00000 0.00000 -0.23710
138 14F+2 -0.35144 -0.24874 0.00000 0.00000 0.00145
139 14F-2 0.00000 0.00000 -0.16775 0.26978 0.00000
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141 14F-3 0.18003 0.10250 0.00000 0.00000 -0.12322
142 15G 0 -0.14153 -0.05658 0.00000 0.00000 -0.08673
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144 15G-1 0.05418 -0.08979 0.00000 0.00000 -0.07086
145 15G+2 -0.16274 -0.12857 0.00000 0.00000 -0.11175
146 15G-2 0.00000 0.00000 -0.33220 0.13159 0.00000
147 15G+3 0.00000 0.00000 -0.13229 0.19380 0.00000
148 15G-3 0.16536 0.02332 0.00000 0.00000 -0.04793
149 15G+4 0.15121 -0.05691 0.00000 0.00000 -0.08417
150 15G-4 0.00000 0.00000 -0.20863 -0.16490 0.00000
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152 2S 0.51516 1.18207 2.04741 0.03292 -0.01900
153 3S -1.02257 -1.31111 -2.27090 0.10669 -0.06160
154 4S -2.29304 -2.45945 -4.25990 -0.24569 0.14185
155 5S -0.00560 -0.08745 -0.15147 0.01078 -0.00623
156 6PX -0.01099 -0.12218 -0.14754 -0.00646 0.12556
157 6PY -0.01454 0.00645 0.12218 0.12556 0.13852
158 6PZ 0.05180 0.06559 0.11361 -0.10248 0.05917
159 7PX -0.06187 -0.03856 -0.07966 0.00939 0.01906
160 7PY -0.00910 0.03514 0.03856 0.01906 0.03139
161 7PZ 0.03167 0.04146 0.07181 -0.03298 0.01904
162 8PX 0.38315 0.24516 0.42109 -0.05635 -0.41572
163 8PY 0.04808 -0.13800 -0.24516 -0.41572 -0.53638
164 8PZ -0.25969 -0.22817 -0.39520 0.46788 -0.27013
165 9PX 1.05256 1.21039 1.78231 0.07002 0.06537
166 9PY -0.10655 -0.38467 -1.21039 0.06537 0.14551
167 9PZ -0.77664 -0.86539 -1.49889 -0.13678 0.07897
168 10D 0 0.00242 -0.03049 -0.05281 -0.47871 0.27639
169 10D+1 -0.06149 0.27505 0.14429 0.39657 0.07071
170 10D-1 -0.47358 0.17331 -0.27505 0.07071 0.47821
171 10D+2 -0.46078 0.05142 -0.10344 -0.27260 -0.74365
172 10D-2 -0.15295 0.10344 0.06802 -0.42888 -0.27260
173 11D 0 0.02797 0.01929 0.03341 0.54177 -0.31279
174 11D+1 0.02948 -0.32576 -0.22519 -0.45344 -0.08435
175 11D-1 0.47448 -0.15096 0.32576 -0.08435 -0.55084
176 11D+2 0.43741 0.04251 0.10839 0.30359 0.82737
177 11D-2 0.15040 -0.10839 -0.16768 0.47682 0.30359
178 12D 0 -0.11247 -0.06472 -0.11209 0.01380 -0.00797
179 12D+1 0.59334 0.42156 0.83293 -0.03488 -0.02979
180 12D-1 -0.05724 -0.34616 -0.42156 -0.02979 -0.06927
181 12D+2 -0.54535 -0.39812 -0.14420 -0.01371 0.07746
182 12D-2 -0.01294 0.14420 0.56462 0.09329 -0.01371
183 13F 0 -0.05772 -0.03421 -0.05925 -0.00690 0.00398
184 13F+1 -0.19548 0.02562 -0.14737 0.04816 -0.02324
185 13F-1 -0.05496 0.17695 -0.02562 -0.02324 0.02133
186 13F+2 0.21057 0.00028 0.10070 -0.01177 -0.03302
187 13F-2 -0.00842 -0.10070 -0.11656 -0.01943 -0.01177
188 13F+3 -0.03621 -0.21924 0.12658 0.06849 0.11862
189 13F-3 0.05183 0.05609 0.09715 0.01869 -0.01079
190 14F 0 0.08631 0.03527 0.06109 0.02875 -0.01660
191 14F+1 0.26597 -0.02760 0.24905 -0.19672 0.06994
192 14F-1 0.11750 -0.28092 0.02760 0.06994 -0.11596
193 14F+2 -0.38403 0.06362 -0.18034 0.11619 0.20270
194 14F-2 -0.01882 0.18034 0.14462 0.06853 0.11619
195 14F+3 0.06455 0.26974 -0.15574 -0.16573 -0.28705
196 14F-3 -0.09001 -0.05125 -0.08876 -0.10671 0.06161
197 15G 0 0.07076 0.02829 0.04900 -0.07511 0.04337
198 15G+1 -0.01165 0.01684 0.08006 -0.05780 0.02262
199 15G-1 0.03401 -0.06061 -0.01684 0.02262 -0.03168
200 15G+2 -0.29940 0.21701 -0.19952 0.10537 0.07076
201 15G-2 -0.07890 0.19952 0.01337 -0.05091 0.10537
202 15G+3 0.22162 -0.11457 0.06615 -0.09690 -0.16783
203 15G-3 -0.08268 -0.01166 -0.02020 -0.04151 0.02397
204 15G+4 0.06664 -0.17070 0.06570 0.10785 0.10263
205 15G-4 0.04883 0.06570 -0.09484 0.02190 -0.10785
206 4 H 1S -0.20752 -0.53951 0.93446 0.02771 0.01600
207 2S 0.51516 1.18207 -2.04741 -0.03292 -0.01900
208 3S -1.02257 -1.31111 2.27090 -0.10669 -0.06160
209 4S -2.29304 -2.45945 4.25990 0.24569 0.14185
210 5S -0.00560 -0.08745 0.15147 -0.01078 -0.00623
211 6PX 0.01099 0.12218 -0.14754 -0.00646 -0.12556
212 6PY -0.01454 0.00645 -0.12218 -0.12556 0.13852
213 6PZ 0.05180 0.06559 -0.11361 0.10248 0.05917
214 7PX 0.06187 0.03856 -0.07966 0.00939 -0.01906
215 7PY -0.00910 0.03514 -0.03856 -0.01906 0.03139
216 7PZ 0.03167 0.04146 -0.07181 0.03298 0.01904
217 8PX -0.38315 -0.24516 0.42109 -0.05635 0.41572
218 8PY 0.04808 -0.13800 0.24516 0.41572 -0.53638
219 8PZ -0.25969 -0.22817 0.39520 -0.46788 -0.27013
220 9PX -1.05256 -1.21039 1.78231 0.07002 -0.06537
221 9PY -0.10655 -0.38467 1.21039 -0.06537 0.14551
222 9PZ -0.77664 -0.86539 1.49889 0.13678 0.07897
223 10D 0 0.00242 -0.03049 0.05281 0.47871 0.27639
224 10D+1 0.06149 -0.27505 0.14429 0.39657 -0.07071
225 10D-1 -0.47358 0.17331 0.27505 -0.07071 0.47821
226 10D+2 -0.46078 0.05142 0.10344 0.27260 -0.74365
227 10D-2 0.15295 -0.10344 0.06802 -0.42888 0.27260
228 11D 0 0.02797 0.01929 -0.03341 -0.54177 -0.31279
229 11D+1 -0.02948 0.32576 -0.22519 -0.45344 0.08435
230 11D-1 0.47448 -0.15096 -0.32576 0.08435 -0.55084
231 11D+2 0.43741 0.04251 -0.10839 -0.30359 0.82737
232 11D-2 -0.15040 0.10839 -0.16768 0.47682 -0.30359
233 12D 0 -0.11247 -0.06472 0.11209 -0.01380 -0.00797
234 12D+1 -0.59334 -0.42156 0.83293 -0.03488 0.02979
235 12D-1 -0.05724 -0.34616 0.42156 0.02979 -0.06927
236 12D+2 -0.54535 -0.39812 0.14420 0.01371 0.07746
237 12D-2 0.01294 -0.14420 0.56462 0.09329 0.01371
238 13F 0 -0.05772 -0.03421 0.05925 0.00690 0.00398
239 13F+1 0.19548 -0.02562 -0.14737 0.04816 0.02324
240 13F-1 -0.05496 0.17695 0.02562 0.02324 0.02133
241 13F+2 0.21057 0.00028 -0.10070 0.01177 -0.03302
242 13F-2 0.00842 0.10070 -0.11656 -0.01943 0.01177
243 13F+3 0.03621 0.21924 0.12658 0.06849 -0.11862
244 13F-3 0.05183 0.05609 -0.09715 -0.01869 -0.01079
245 14F 0 0.08631 0.03527 -0.06109 -0.02875 -0.01660
246 14F+1 -0.26597 0.02760 0.24905 -0.19672 -0.06994
247 14F-1 0.11750 -0.28092 -0.02760 -0.06994 -0.11596
248 14F+2 -0.38403 0.06362 0.18034 -0.11619 0.20270
249 14F-2 0.01882 -0.18034 0.14462 0.06853 -0.11619
250 14F+3 -0.06455 -0.26974 -0.15574 -0.16573 0.28705
251 14F-3 -0.09001 -0.05125 0.08876 0.10671 0.06161
252 15G 0 0.07076 0.02829 -0.04900 0.07511 0.04337
253 15G+1 0.01165 -0.01684 0.08006 -0.05780 -0.02262
254 15G-1 0.03401 -0.06061 0.01684 -0.02262 -0.03168
255 15G+2 -0.29940 0.21701 0.19952 -0.10537 0.07076
256 15G-2 0.07890 -0.19952 0.01337 -0.05091 -0.10537
257 15G+3 -0.22162 0.11457 0.06615 -0.09690 0.16783
258 15G-3 -0.08268 -0.01166 0.02020 0.04151 0.02397
259 15G+4 0.06664 -0.17070 -0.06570 -0.10785 0.10263
260 15G-4 -0.04883 -0.06570 -0.09484 0.02190 0.10785
241 242 243 244 245
(A1)--V (E)--V (E)--V (A2)--V (E)--V
Eigenvalues -- 14.68676 14.93121 14.93121 14.95022 15.87733
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2 2S 0.00616 0.00000 0.00000 0.00000 0.00000
3 3S -0.01842 0.00000 0.00000 0.00000 0.00000
4 4S 0.03075 0.00000 0.00000 0.00000 0.00000
5 5S -0.99693 0.00000 0.00000 0.00000 0.00000
6 6S 1.85654 0.00000 0.00000 0.00000 0.00000
7 7S -0.42700 0.00000 0.00000 0.00000 0.00000
8 8PX 0.00000 -0.10808 0.00000 0.00000 -0.01066
9 8PY 0.00000 0.00000 -0.10808 0.00000 0.00000
10 8PZ 0.12506 0.00000 0.00000 0.00000 0.00000
11 9PX 0.00000 -0.10638 0.00000 0.00000 0.16044
12 9PY 0.00000 0.00000 -0.10638 0.00000 0.00000
13 9PZ 0.13166 0.00000 0.00000 0.00000 0.00000
14 10PX 0.00000 0.25600 0.00000 0.00000 2.19466
15 10PY 0.00000 0.00000 0.25600 0.00000 0.00000
16 10PZ -0.26588 0.00000 0.00000 0.00000 0.00000
17 11PX 0.00000 -0.68920 0.00000 0.00000 -6.42366
18 11PY 0.00000 0.00000 -0.68920 0.00000 0.00000
19 11PZ 0.93323 0.00000 0.00000 0.00000 0.00000
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21 12PY 0.00000 0.00000 -0.68336 0.00000 0.00000
22 12PZ -0.61481 0.00000 0.00000 0.00000 0.00000
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24 13PY 0.00000 0.00000 -0.04242 0.00000 0.00000
25 13PZ 0.13477 0.00000 0.00000 0.00000 0.00000
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27 14D+1 0.00000 0.22024 0.00000 0.00000 1.80999
28 14D-1 0.00000 0.00000 0.22024 0.00000 0.00000
29 14D+2 0.00000 0.00000 0.09242 0.00000 0.00000
30 14D-2 0.00000 0.09242 0.00000 0.00000 1.22186
31 15D 0 -1.47929 0.00000 0.00000 0.00000 0.00000
32 15D+1 0.00000 -0.28234 0.00000 0.00000 4.58498
33 15D-1 0.00000 0.00000 -0.28234 0.00000 0.00000
34 15D+2 0.00000 0.00000 -0.38491 0.00000 0.00000
35 15D-2 0.00000 -0.38491 0.00000 0.00000 3.23784
36 16D 0 0.14320 0.00000 0.00000 0.00000 0.00000
37 16D+1 0.00000 0.10797 0.00000 0.00000 0.23589
38 16D-1 0.00000 0.00000 0.10797 0.00000 0.00000
39 16D+2 0.00000 0.00000 0.10166 0.00000 0.00000
40 16D-2 0.00000 0.10166 0.00000 0.00000 0.22105
41 17D 0 0.09514 0.00000 0.00000 0.00000 0.00000
42 17D+1 0.00000 -0.03208 0.00000 0.00000 -0.38180
43 17D-1 0.00000 0.00000 -0.03208 0.00000 0.00000
44 17D+2 0.00000 0.00000 -0.02054 0.00000 0.00000
45 17D-2 0.00000 -0.02054 0.00000 0.00000 -0.28582
46 18F 0 -0.11144 0.00000 0.00000 0.00000 0.00000
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48 18F-1 0.00000 0.00000 -0.06661 0.00000 0.00000
49 18F+2 0.00000 0.00000 -0.03601 0.00000 0.00000
50 18F-2 0.00000 -0.03601 0.00000 0.00000 -0.60130
51 18F+3 0.00000 0.00000 0.00000 -0.00980 0.00000
52 18F-3 0.03743 0.00000 0.00000 0.00000 0.00000
53 19F 0 0.56437 0.00000 0.00000 0.00000 0.00000
54 19F+1 0.00000 0.93954 0.00000 0.00000 -0.56252
55 19F-1 0.00000 0.00000 0.93954 0.00000 0.00000
56 19F+2 0.00000 0.00000 0.84732 0.00000 0.00000
57 19F-2 0.00000 0.84732 0.00000 0.00000 -1.74674
58 19F+3 0.00000 0.00000 0.00000 1.28998 0.00000
59 19F-3 -0.96684 0.00000 0.00000 0.00000 0.00000
60 20F 0 0.00971 0.00000 0.00000 0.00000 0.00000
61 20F+1 0.00000 0.03982 0.00000 0.00000 -0.18735
62 20F-1 0.00000 0.00000 0.03982 0.00000 0.00000
63 20F+2 0.00000 0.00000 -0.00194 0.00000 0.00000
64 20F-2 0.00000 -0.00194 0.00000 0.00000 -0.58421
65 20F+3 0.00000 0.00000 0.00000 0.02923 0.00000
66 20F-3 0.01629 0.00000 0.00000 0.00000 0.00000
67 21G 0 0.19856 0.00000 0.00000 0.00000 0.00000
68 21G+1 0.00000 -0.32210 0.00000 0.00000 -0.27939
69 21G-1 0.00000 0.00000 -0.32210 0.00000 0.00000
70 21G+2 0.00000 0.00000 -0.47771 0.00000 0.00000
71 21G-2 0.00000 -0.47771 0.00000 0.00000 0.40487
72 21G+3 0.00000 0.00000 0.00000 -0.71172 0.00000
73 21G-3 0.26771 0.00000 0.00000 0.00000 0.00000
74 21G+4 0.00000 0.00000 -0.29944 0.00000 0.00000
75 21G-4 0.00000 0.29944 0.00000 0.00000 0.37877
76 22G 0 0.25865 0.00000 0.00000 0.00000 0.00000
77 22G+1 0.00000 -0.35711 0.00000 0.00000 -0.36752
78 22G-1 0.00000 0.00000 -0.35711 0.00000 0.00000
79 22G+2 0.00000 0.00000 -0.42949 0.00000 0.00000
80 22G-2 0.00000 -0.42949 0.00000 0.00000 0.30334
81 22G+3 0.00000 0.00000 0.00000 -0.60065 0.00000
82 22G-3 0.07898 0.00000 0.00000 0.00000 0.00000
83 22G+4 0.00000 0.00000 -0.33583 0.00000 0.00000
84 22G-4 0.00000 0.33583 0.00000 0.00000 0.42326
85 23H 0 -0.39422 0.00000 0.00000 0.00000 0.00000
86 23H+1 0.00000 0.04990 0.00000 0.00000 0.26764
87 23H-1 0.00000 0.00000 0.04990 0.00000 0.00000
88 23H+2 0.00000 0.00000 0.38380 0.00000 0.00000
89 23H-2 0.00000 0.38380 0.00000 0.00000 0.03016
90 23H+3 0.00000 0.00000 0.00000 0.52171 0.00000
91 23H-3 0.22489 0.00000 0.00000 0.00000 0.00000
92 23H+4 0.00000 0.00000 0.36720 0.00000 0.00000
93 23H-4 0.00000 -0.36720 0.00000 0.00000 -0.37932
94 23H+5 0.00000 0.01368 0.00000 0.00000 0.08762
95 23H-5 0.00000 0.00000 -0.01368 0.00000 0.00000
96 2 H 1S 0.00746 0.00000 -0.01077 0.00000 0.00000
97 2S 0.03076 0.00000 0.11908 0.00000 0.00000
98 3S -0.54042 0.00000 -0.67270 0.00000 0.00000
99 4S -0.04123 0.00000 1.07327 0.00000 0.00000
100 5S 0.07287 0.00000 -0.09867 0.00000 0.00000
101 6PX 0.00000 -0.10301 0.00000 -0.09905 -0.00127
102 6PY 0.09864 0.00000 -0.08764 0.00000 0.00000
103 6PZ 0.14145 0.00000 -0.08450 0.00000 0.00000
104 7PX 0.00000 -0.06777 0.00000 -0.11006 -0.02961
105 7PY -0.00217 0.00000 -0.11463 0.00000 0.00000
106 7PZ 0.05333 0.00000 -0.07258 0.00000 0.00000
107 8PX 0.00000 0.70008 0.00000 0.93826 0.12172
108 8PY -0.16600 0.00000 0.86622 0.00000 0.00000
109 8PZ -0.72415 0.00000 0.69879 0.00000 0.00000
110 9PX 0.00000 0.08110 0.00000 -0.03561 0.19308
111 9PY 0.04179 0.00000 -0.41412 0.00000 0.00000
112 9PZ 0.03674 0.00000 0.23235 0.00000 0.00000
113 10D 0 0.64741 0.00000 -0.81215 0.00000 0.00000
114 10D+1 0.00000 -0.28331 0.00000 -0.34499 -0.12084
115 10D-1 -0.47219 0.00000 0.27648 0.00000 0.00000
116 10D+2 0.34910 0.00000 -0.55550 0.00000 0.00000
117 10D-2 0.00000 0.59047 0.00000 0.80623 0.02086
118 11D 0 -0.73174 0.00000 1.04521 0.00000 0.00000
119 11D+1 0.00000 0.35392 0.00000 0.43512 0.17914
120 11D-1 0.55078 0.00000 -0.38417 0.00000 0.00000
121 11D+2 -0.40004 0.00000 0.69329 0.00000 0.00000
122 11D-2 0.00000 -0.75527 0.00000 -1.05682 -0.04456
123 12D 0 -0.18656 0.00000 0.06089 0.00000 0.00000
124 12D+1 0.00000 0.11976 0.00000 0.14853 0.03497
125 12D-1 -0.06692 0.00000 -0.13253 0.00000 0.00000
126 12D+2 -0.04020 0.00000 -0.02296 0.00000 0.00000
127 12D-2 0.00000 -0.09185 0.00000 0.03831 -0.15054
128 13F 0 0.04849 0.00000 -0.03275 0.00000 0.00000
129 13F+1 0.00000 0.00035 0.00000 -0.04878 -0.01678
130 13F-1 -0.10465 0.00000 -0.10013 0.00000 0.00000
131 13F+2 0.03503 0.00000 0.00741 0.00000 0.00000
132 13F-2 0.00000 0.03815 0.00000 0.01894 -0.00696
133 13F+3 0.00000 -0.05888 0.00000 -0.14447 0.01187
134 13F-3 -0.00069 0.00000 0.03380 0.00000 0.00000
135 14F 0 -0.13300 0.00000 0.13143 0.00000 0.00000
136 14F+1 0.00000 0.00368 0.00000 0.03586 0.06286
137 14F-1 0.36069 0.00000 -0.29466 0.00000 0.00000
138 14F+2 -0.03678 0.00000 -0.08842 0.00000 0.00000
139 14F-2 0.00000 -0.23557 0.00000 -0.25911 -0.09730
140 14F+3 0.00000 -0.16940 0.00000 -0.12276 -0.07714
141 14F-3 0.09157 0.00000 -0.17829 0.00000 0.00000
142 15G 0 0.10906 0.00000 -0.10837 0.00000 0.00000
143 15G+1 0.00000 -0.04685 0.00000 -0.13331 0.00571
144 15G-1 0.19236 0.00000 -0.24503 0.00000 0.00000
145 15G+2 0.14823 0.00000 -0.27884 0.00000 0.00000
146 15G-2 0.00000 -0.02667 0.00000 -0.04884 -0.07084
147 15G+3 0.00000 -0.22260 0.00000 -0.24068 -0.06776
148 15G-3 0.06278 0.00000 0.05916 0.00000 0.00000
149 15G+4 0.01584 0.00000 -0.15499 0.00000 0.00000
150 15G-4 0.00000 0.16219 0.00000 0.17668 0.01276
151 3 H 1S 0.00746 -0.00933 0.00539 0.00000 0.30023
152 2S 0.03076 0.10313 -0.05954 0.00000 -1.73765
153 3S -0.54042 -0.58258 0.33635 0.00000 6.70444
154 4S -0.04123 0.92948 -0.53664 0.00000 3.06705
155 5S 0.07287 -0.08545 0.04934 0.00000 0.12805
156 6PX 0.08543 -0.09148 -0.00666 0.04952 0.30777
157 6PY -0.04932 -0.00666 -0.09917 0.08578 -0.17842
158 6PZ 0.14145 -0.07318 0.04225 0.00000 -0.21378
159 7PX -0.00188 -0.10291 0.02029 0.05503 0.14609
160 7PY 0.00108 0.02029 -0.07948 0.09532 -0.10144
161 7PZ 0.05333 -0.06286 0.03629 0.00000 -0.13869
162 8PX -0.14376 0.82468 -0.07194 -0.46913 -2.78011
163 8PY 0.08300 -0.07194 0.74161 -0.81256 1.67537
164 8PZ -0.72415 0.60517 -0.34940 0.00000 2.10586
165 9PX 0.03619 -0.29032 0.21444 0.01781 -1.21374
166 9PY -0.02089 0.21444 -0.04271 0.03084 0.81223
167 9PZ 0.03674 0.20122 -0.11618 0.00000 0.93296
168 10D 0 0.64741 -0.70334 0.40608 0.00000 0.02593
169 10D+1 -0.40893 0.13653 -0.24240 0.17250 0.72769
170 10D-1 0.23609 -0.24240 -0.14336 0.29877 -0.48990
171 10D+2 -0.17455 0.49622 0.30398 -0.69822 -0.31629
172 10D-2 0.30233 -0.26901 0.49622 -0.40312 0.56869
173 11D 0 -0.73174 0.90518 -0.52261 0.00000 -0.05277
174 11D+1 0.47699 -0.19965 0.31960 -0.21756 -1.19202
175 11D-1 -0.27539 0.31960 0.16939 -0.37682 0.79164
176 11D+2 0.20002 -0.62724 -0.39313 0.91523 0.51464
177 11D-2 -0.34644 0.33115 -0.62724 0.52841 -0.93594
178 12D 0 -0.18656 0.05274 -0.03045 0.00000 -0.02729
179 12D+1 -0.05796 -0.06945 0.10924 -0.07426 -0.52690
180 12D-1 0.03346 0.10924 0.05669 -0.12863 0.32440
181 12D+2 0.02010 -0.02983 -0.07463 -0.03318 0.16762
182 12D-2 -0.03482 -0.04018 -0.02983 -0.01915 -0.44087
183 13F 0 0.04849 -0.02836 0.01637 0.00000 -0.03717
184 13F+1 -0.09063 -0.07501 0.04351 0.02439 -0.01310
185 13F-1 0.05233 0.04351 -0.02477 0.04225 -0.00213
186 13F+2 -0.01752 0.01331 0.03047 -0.01640 0.03672
187 13F-2 0.03034 0.01510 0.01331 -0.00947 -0.07056
188 13F+3 0.00000 0.02944 0.05099 -0.14447 -0.00593
189 13F-3 -0.00069 0.02927 -0.01690 0.00000 0.03948
190 14F 0 -0.13300 0.11382 -0.06571 0.00000 -0.20675
191 14F+1 0.31236 -0.22008 0.12919 -0.01793 -0.14723
192 14F-1 -0.18034 0.12919 -0.07091 -0.03105 0.12130
193 14F+2 0.01839 -0.06372 -0.19878 0.22439 0.15094
194 14F-2 -0.03185 -0.12521 -0.06372 0.12955 -0.35873
195 14F+3 0.00000 0.08470 0.14670 -0.12276 0.03857
196 14F-3 0.09157 -0.15441 0.08915 0.00000 0.23925
197 15G 0 0.10906 -0.09385 0.05418 0.00000 -0.12682
198 15G+1 0.16659 -0.19548 0.08581 0.06665 0.07426
199 15G-1 -0.09618 0.08581 -0.09640 0.11545 -0.03958
200 15G+2 -0.07411 0.10919 -0.08971 0.04230 0.05493
201 15G-2 0.12837 -0.21580 0.10919 0.02442 -0.16598
202 15G+3 0.00000 0.11130 0.19278 -0.24068 0.03388
203 15G-3 0.06278 0.05124 -0.02958 0.00000 0.21939
204 15G+4 -0.00792 -0.00312 -0.16039 0.15301 -0.06325
205 15G-4 -0.01372 0.15679 0.00312 -0.08834 -0.09680
206 4 H 1S 0.00746 0.00933 0.00539 0.00000 -0.30023
207 2S 0.03076 -0.10313 -0.05954 0.00000 1.73765
208 3S -0.54042 0.58258 0.33635 0.00000 -6.70444
209 4S -0.04123 -0.92948 -0.53664 0.00000 -3.06705
210 5S 0.07287 0.08545 0.04934 0.00000 -0.12805
211 6PX -0.08543 -0.09148 0.00666 0.04952 0.30777
212 6PY -0.04932 0.00666 -0.09917 -0.08578 0.17842
213 6PZ 0.14145 0.07318 0.04225 0.00000 0.21378
214 7PX 0.00188 -0.10291 -0.02029 0.05503 0.14609
215 7PY 0.00108 -0.02029 -0.07948 -0.09532 0.10144
216 7PZ 0.05333 0.06286 0.03629 0.00000 0.13869
217 8PX 0.14376 0.82468 0.07194 -0.46913 -2.78011
218 8PY 0.08300 0.07194 0.74161 0.81256 -1.67537
219 8PZ -0.72415 -0.60517 -0.34940 0.00000 -2.10586
220 9PX -0.03619 -0.29032 -0.21444 0.01781 -1.21374
221 9PY -0.02089 -0.21444 -0.04271 -0.03084 -0.81223
222 9PZ 0.03674 -0.20122 -0.11618 0.00000 -0.93296
223 10D 0 0.64741 0.70334 0.40608 0.00000 -0.02593
224 10D+1 0.40893 0.13653 0.24240 0.17250 0.72769
225 10D-1 0.23609 0.24240 -0.14336 -0.29877 0.48990
226 10D+2 -0.17455 -0.49622 0.30398 0.69822 0.31629
227 10D-2 -0.30233 -0.26901 -0.49622 -0.40312 0.56869
228 11D 0 -0.73174 -0.90518 -0.52261 0.00000 0.05277
229 11D+1 -0.47699 -0.19965 -0.31960 -0.21756 -1.19202
230 11D-1 -0.27539 -0.31960 0.16939 0.37682 -0.79164
231 11D+2 0.20002 0.62724 -0.39313 -0.91523 -0.51464
232 11D-2 0.34644 0.33115 0.62724 0.52841 -0.93594
233 12D 0 -0.18656 -0.05274 -0.03045 0.00000 0.02729
234 12D+1 0.05796 -0.06945 -0.10924 -0.07426 -0.52690
235 12D-1 0.03346 -0.10924 0.05669 0.12863 -0.32440
236 12D+2 0.02010 0.02983 -0.07463 0.03318 -0.16762
237 12D-2 0.03482 -0.04018 0.02983 -0.01915 -0.44087
238 13F 0 0.04849 0.02836 0.01637 0.00000 0.03717
239 13F+1 0.09063 -0.07501 -0.04351 0.02439 -0.01310
240 13F-1 0.05233 -0.04351 -0.02477 -0.04225 0.00213
241 13F+2 -0.01752 -0.01331 0.03047 0.01640 -0.03672
242 13F-2 -0.03034 0.01510 -0.01331 -0.00947 -0.07056
243 13F+3 0.00000 0.02944 -0.05099 -0.14447 -0.00593
244 13F-3 -0.00069 -0.02927 -0.01690 0.00000 -0.03948
245 14F 0 -0.13300 -0.11382 -0.06571 0.00000 0.20675
246 14F+1 -0.31236 -0.22008 -0.12919 -0.01793 -0.14723
247 14F-1 -0.18034 -0.12919 -0.07091 0.03105 -0.12130
248 14F+2 0.01839 0.06372 -0.19878 -0.22439 -0.15094
249 14F-2 0.03185 -0.12521 0.06372 0.12955 -0.35873
250 14F+3 0.00000 0.08470 -0.14670 -0.12276 0.03857
251 14F-3 0.09157 0.15441 0.08915 0.00000 -0.23925
252 15G 0 0.10906 0.09385 0.05418 0.00000 0.12682
253 15G+1 -0.16659 -0.19548 -0.08581 0.06665 0.07426
254 15G-1 -0.09618 -0.08581 -0.09640 -0.11545 0.03958
255 15G+2 -0.07411 -0.10919 -0.08971 -0.04230 -0.05493
256 15G-2 -0.12837 -0.21580 -0.10919 0.02442 -0.16598
257 15G+3 0.00000 0.11130 -0.19278 -0.24068 0.03388
258 15G-3 0.06278 -0.05124 -0.02958 0.00000 -0.21939
259 15G+4 -0.00792 0.00312 -0.16039 -0.15301 0.06325
260 15G-4 0.01372 0.15679 -0.00312 -0.08834 -0.09680
246 247 248 249 250
(E)--V (A1)--V (A1)--V (E)--V (E)--V
Eigenvalues -- 15.87733 15.90237 17.40541 17.42215 17.42215
1 1 P 1S 0.00000 -0.03105 0.01009 0.00000 0.00000
2 2S 0.00000 0.15080 0.06801 0.00000 0.00000
3 3S 0.00000 -1.37723 0.00801 0.00000 0.00000
4 4S 0.00000 -5.72314 -0.10203 0.00000 0.00000
5 5S 0.00000 2.94925 -2.60634 0.00000 0.00000
6 6S 0.00000 13.67759 8.15090 0.00000 0.00000
7 7S 0.00000 1.51058 1.16331 0.00000 0.00000
8 8PX 0.00000 0.00000 0.00000 -0.07830 0.00000
9 8PY -0.01066 0.00000 0.00000 0.00000 -0.07830
10 8PZ 0.00000 0.16811 0.45805 0.00000 0.00000
11 9PX 0.00000 0.00000 0.00000 -0.11594 0.00000
12 9PY 0.16044 0.00000 0.00000 0.00000 -0.11594
13 9PZ 0.00000 0.42193 0.69963 0.00000 0.00000
14 10PX 0.00000 0.00000 0.00000 0.00193 0.00000
15 10PY 2.19466 0.00000 0.00000 0.00000 0.00193
16 10PZ 0.00000 2.33603 0.48787 0.00000 0.00000
17 11PX 0.00000 0.00000 0.00000 -0.20522 0.00000
18 11PY -6.42366 0.00000 0.00000 0.00000 -0.20522
19 11PZ 0.00000 -6.35178 -0.14152 0.00000 0.00000
20 12PX 0.00000 0.00000 0.00000 -0.63903 0.00000
21 12PY -4.99840 0.00000 0.00000 0.00000 -0.63903
22 12PZ 0.00000 -4.94443 -2.28868 0.00000 0.00000
23 13PX 0.00000 0.00000 0.00000 0.14674 0.00000
24 13PY -0.19296 0.00000 0.00000 0.00000 0.14674
25 13PZ 0.00000 -0.11478 -0.23284 0.00000 0.00000
26 14D 0 0.00000 -0.01317 -0.37076 0.00000 0.00000
27 14D+1 0.00000 0.00000 0.00000 -0.11925 0.00000
28 14D-1 1.80999 0.00000 0.00000 0.00000 -0.11925
29 14D+2 1.22186 0.00000 0.00000 0.00000 -0.12834
30 14D-2 0.00000 0.00000 0.00000 -0.12834 0.00000
31 15D 0 0.00000 -0.01205 -2.32469 0.00000 0.00000
32 15D+1 0.00000 0.00000 0.00000 -0.88557 0.00000
33 15D-1 4.58498 0.00000 0.00000 0.00000 -0.88557
34 15D+2 3.23784 0.00000 0.00000 0.00000 -1.08236
35 15D-2 0.00000 0.00000 0.00000 -1.08236 0.00000
36 16D 0 0.00000 -0.10062 0.53995 0.00000 0.00000
37 16D+1 0.00000 0.00000 0.00000 0.27997 0.00000
38 16D-1 0.23589 0.00000 0.00000 0.00000 0.27997
39 16D+2 0.22105 0.00000 0.00000 0.00000 0.30274
40 16D-2 0.00000 0.00000 0.00000 0.30274 0.00000
41 17D 0 0.00000 0.03425 -0.10210 0.00000 0.00000
42 17D+1 0.00000 0.00000 0.00000 -0.06725 0.00000
43 17D-1 -0.38180 0.00000 0.00000 0.00000 -0.06725
44 17D+2 -0.28582 0.00000 0.00000 0.00000 -0.06682
45 17D-2 0.00000 0.00000 0.00000 -0.06682 0.00000
46 18F 0 0.00000 0.46898 0.38592 0.00000 0.00000
47 18F+1 0.00000 0.00000 0.00000 0.25738 0.00000
48 18F-1 -0.30528 0.00000 0.00000 0.00000 0.25738
49 18F+2 -0.60130 0.00000 0.00000 0.00000 0.20779
50 18F-2 0.00000 0.00000 0.00000 0.20779 0.00000
51 18F+3 0.00000 0.00000 0.00000 0.00000 0.00000
52 18F-3 0.00000 -0.51805 -0.50160 0.00000 0.00000
53 19F 0 0.00000 1.45634 1.11819 0.00000 0.00000
54 19F+1 0.00000 0.00000 0.00000 1.26702 0.00000
55 19F-1 -0.56252 0.00000 0.00000 0.00000 1.26702
56 19F+2 -1.74674 0.00000 0.00000 0.00000 1.41575
57 19F-2 0.00000 0.00000 0.00000 1.41575 0.00000
58 19F+3 0.00000 0.00000 0.00000 0.00000 0.00000
59 19F-3 0.00000 -1.59210 -1.48920 0.00000 0.00000
60 20F 0 0.00000 0.52144 -0.10365 0.00000 0.00000
61 20F+1 0.00000 0.00000 0.00000 -0.10337 0.00000
62 20F-1 -0.18735 0.00000 0.00000 0.00000 -0.10337
63 20F+2 -0.58421 0.00000 0.00000 0.00000 -0.12477
64 20F-2 0.00000 0.00000 0.00000 -0.12477 0.00000
65 20F+3 0.00000 0.00000 0.00000 0.00000 0.00000
66 20F-3 0.00000 -0.58906 0.13497 0.00000 0.00000
67 21G 0 0.00000 -0.54755 0.07809 0.00000 0.00000
68 21G+1 0.00000 0.00000 0.00000 -0.48045 0.00000
69 21G-1 -0.27939 0.00000 0.00000 0.00000 -0.48045
70 21G+2 0.40487 0.00000 0.00000 0.00000 -0.78271
71 21G-2 0.00000 0.00000 0.00000 -0.78271 0.00000
72 21G+3 0.00000 0.00000 0.00000 0.00000 0.00000
73 21G-3 0.00000 0.86140 0.64056 0.00000 0.00000
74 21G+4 -0.37877 0.00000 0.00000 0.00000 -0.41774
75 21G-4 0.00000 0.00000 0.00000 0.41774 0.00000
76 22G 0 0.00000 -0.53557 0.14062 0.00000 0.00000
77 22G+1 0.00000 0.00000 0.00000 -0.11299 0.00000
78 22G-1 -0.36752 0.00000 0.00000 0.00000 -0.11299
79 22G+2 0.30334 0.00000 0.00000 0.00000 -0.21252
80 22G-2 0.00000 0.00000 0.00000 -0.21252 0.00000
81 22G+3 0.00000 0.00000 0.00000 0.00000 0.00000
82 22G-3 0.00000 0.90015 0.03886 0.00000 0.00000
83 22G+4 -0.42326 0.00000 0.00000 0.00000 -0.12372
84 22G-4 0.00000 0.00000 0.00000 0.12372 0.00000
85 23H 0 0.00000 0.11641 -0.26262 0.00000 0.00000
86 23H+1 0.00000 0.00000 0.00000 -0.03282 0.00000
87 23H-1 0.26764 0.00000 0.00000 0.00000 -0.03282
88 23H+2 0.03016 0.00000 0.00000 0.00000 0.19437
89 23H-2 0.00000 0.00000 0.00000 0.19437 0.00000
90 23H+3 0.00000 0.00000 0.00000 0.00000 0.00000
91 23H-3 0.00000 -0.47706 0.07491 0.00000 0.00000
92 23H+4 0.37932 0.00000 0.00000 0.00000 0.14716
93 23H-4 0.00000 0.00000 0.00000 -0.14716 0.00000
94 23H+5 0.00000 0.00000 0.00000 -0.06252 0.00000
95 23H-5 -0.08762 0.00000 0.00000 0.00000 0.06252
96 2 H 1S 0.34667 -0.22169 -0.02864 0.00000 0.06176
97 2S -2.00646 1.42493 0.18731 0.00000 -0.01327
98 3S 7.74162 -5.68362 -1.66594 0.00000 -1.27027
99 4S 3.54152 -2.63679 -1.97514 0.00000 0.19502
100 5S 0.14785 -0.08795 -0.02711 0.00000 -0.14774
101 6PX 0.00000 0.00000 0.00000 0.98903 0.00000
102 6PY 0.41078 -0.25312 -0.45645 0.00000 0.53557
103 6PZ -0.24685 0.09424 -0.95624 0.00000 1.03932
104 7PX 0.00000 0.00000 0.00000 -1.35313 0.00000
105 7PY 0.20466 -0.22233 0.60772 0.00000 -0.78030
106 7PZ -0.16015 0.17003 1.32305 0.00000 -1.39769
107 8PX 0.00000 0.00000 0.00000 1.49708 0.00000
108 8PY -3.74739 2.86211 -0.14982 0.00000 1.55480
109 8PZ 2.43164 -1.70020 -1.72616 0.00000 1.20508
110 9PX 0.00000 0.00000 0.00000 0.28910 0.00000
111 9PY -1.68268 1.39881 0.68313 0.00000 0.22169
112 9PZ 1.07729 -0.69538 -0.65965 0.00000 0.35642
113 10D 0 0.02994 -0.11316 0.13312 0.00000 -0.07549
114 10D+1 0.00000 0.00000 0.00000 -0.04457 0.00000
115 10D-1 1.01054 -0.69166 -0.07457 0.00000 0.00755
116 10D+2 0.75130 -0.58703 0.08544 0.00000 -0.07314
117 10D-2 0.00000 0.00000 0.00000 0.08638 0.00000
118 11D 0 -0.06093 0.18849 -0.17642 0.00000 0.11626
119 11D+1 0.00000 0.00000 0.00000 0.05002 0.00000
120 11D-1 -1.64907 1.18046 0.13571 0.00000 0.05787
121 11D+2 -1.23306 1.00116 -0.08815 0.00000 0.15620
122 11D-2 0.00000 0.00000 0.00000 -0.11946 0.00000
123 12D 0 -0.03151 0.15191 -0.57761 0.00000 0.79990
124 12D+1 0.00000 0.00000 0.00000 0.45364 0.00000
125 12D-1 -0.71420 0.44126 0.46916 0.00000 -0.36125
126 12D+2 -0.53764 0.45235 -0.16180 0.00000 0.52327
127 12D-2 0.00000 0.00000 0.00000 -0.65408 0.00000
128 13F 0 -0.04292 0.05777 0.04480 0.00000 -0.03175
129 13F+1 0.00000 0.00000 0.00000 0.00246 0.00000
130 13F-1 -0.01188 0.03869 -0.11669 0.00000 0.12244
131 13F+2 -0.09176 0.09140 -0.01616 0.00000 0.02742
132 13F-2 0.00000 0.00000 0.00000 0.11277 0.00000
133 13F+3 0.00000 0.00000 0.00000 0.06263 0.00000
134 13F-3 0.04559 -0.06673 -0.05698 0.00000 0.05938
135 14F 0 -0.23874 0.21324 -0.11195 0.00000 0.11954
136 14F+1 0.00000 0.00000 0.00000 0.01253 0.00000
137 14F-1 -0.21726 0.01239 0.38426 0.00000 -0.41259
138 14F+2 -0.44588 0.34433 0.04294 0.00000 -0.06668
139 14F-2 0.00000 0.00000 0.00000 -0.31865 0.00000
140 14F+3 0.00000 0.00000 0.00000 -0.24046 0.00000
141 14F-3 0.27626 -0.24707 0.15339 0.00000 -0.20223
142 15G 0 -0.14644 0.10575 0.04297 0.00000 -0.04536
143 15G+1 0.00000 0.00000 0.00000 -0.01911 0.00000
144 15G-1 0.09711 -0.13641 0.07541 0.00000 -0.06684
145 15G+2 -0.19769 0.09959 0.05387 0.00000 -0.10611
146 15G-2 0.00000 0.00000 0.00000 -0.01844 0.00000
147 15G+3 0.00000 0.00000 0.00000 -0.09190 0.00000
148 15G-3 0.25333 -0.23024 0.02352 0.00000 0.02233
149 15G+4 0.13332 -0.13036 0.03721 0.00000 -0.04143
150 15G-4 0.00000 0.00000 0.00000 0.04895 0.00000
151 3 H 1S -0.17334 -0.22169 -0.02864 0.05349 -0.03088
152 2S 1.00323 1.42493 0.18731 -0.01149 0.00664
153 3S -3.87081 -5.68362 -1.66594 -1.10009 0.63513
154 4S -1.77076 -2.63679 -1.97514 0.16889 -0.09751
155 5S -0.07393 -0.08795 -0.02711 -0.12795 0.07387
156 6PX -0.17842 -0.21921 -0.39530 0.64893 0.19636
157 6PY 0.10174 0.12656 0.22823 0.19636 0.87567
158 6PZ 0.12342 0.09424 -0.95624 0.90008 -0.51966
159 7PX -0.10144 -0.19254 0.52630 -0.92350 -0.24804
160 7PY 0.02895 0.11117 -0.30386 -0.24804 -1.20992
161 7PZ 0.08007 0.17003 1.32305 -1.21043 0.69884
162 8PX 1.67537 2.47866 -0.12975 1.54037 -0.02500
163 8PY -0.84556 -1.43105 0.07491 -0.02500 1.51151
164 8PZ -1.21582 -1.70020 -1.72616 1.04363 -0.60254
165 9PX 0.81223 1.21141 0.59161 0.23855 0.02919
166 9PY -0.27586 -0.69941 -0.34157 0.02919 0.27225
167 9PZ -0.53865 -0.69538 -0.65965 0.30866 -0.17821
168 10D 0 -0.01497 -0.11316 0.13312 -0.06537 0.03774
169 10D+1 -0.48990 -0.59900 -0.06458 -0.00548 -0.02257
170 10D-1 0.16200 0.34583 0.03729 -0.02257 -0.03154
171 10D+2 0.20347 0.29351 -0.04272 0.06908 0.04650
172 10D-2 -0.31629 -0.50838 0.07400 -0.03326 0.06908
173 11D 0 0.03047 0.18849 -0.17642 0.10068 -0.05813
174 11D+1 0.79164 1.02231 0.11753 0.05591 -0.00340
175 11D-1 -0.27791 -0.59023 -0.06786 -0.00340 0.05199
176 11D+2 -0.34169 -0.50058 0.04407 -0.11936 -0.05054
177 11D-2 0.51464 0.86703 -0.07634 0.08728 -0.11936
178 12D 0 0.01576 0.15191 -0.57761 0.69274 -0.39995
179 12D+1 0.32440 0.38214 0.40630 -0.15753 0.35286
180 12D-1 -0.15232 -0.22063 -0.23458 0.35286 0.24992
181 12D+2 -0.24732 -0.22618 0.08090 -0.50981 -0.35974
182 12D-2 0.16762 0.39175 -0.14012 0.22893 -0.50981
183 13F 0 0.02146 0.05777 0.04480 -0.02750 0.01588
184 13F+1 -0.00213 0.03351 -0.10106 0.09244 -0.05195
185 13F-1 -0.01556 -0.01935 0.05835 -0.05195 0.03245
186 13F+2 -0.02816 -0.04570 0.00808 0.03696 0.09143
187 13F-2 0.03672 0.07915 -0.01400 0.04876 0.03696
188 13F+3 -0.01028 0.00000 0.00000 -0.03131 -0.05424
189 13F-3 -0.02279 -0.06673 -0.05698 0.05143 -0.02969
190 14F 0 0.11937 0.21324 -0.11195 0.10352 -0.05977
191 14F+1 0.12130 0.01073 0.33278 -0.30631 0.18408
192 14F-1 -0.00717 -0.00619 -0.19213 0.18408 -0.09375
193 14F+2 -0.18445 -0.17216 -0.02147 -0.10911 -0.25565
194 14F-2 0.15094 0.29820 0.03719 -0.12967 -0.10911
195 14F+3 0.06680 0.00000 0.00000 0.12023 0.20824
196 14F-3 -0.13813 -0.24707 0.15339 -0.17514 0.10112
197 15G 0 0.07322 0.10575 0.04297 -0.03929 0.02268
198 15G+1 -0.03958 -0.11813 0.06531 -0.05490 0.02067
199 15G-1 0.02856 0.06820 -0.03771 0.02067 -0.03104
200 15G+2 -0.10255 -0.04979 -0.02694 0.03796 -0.04036
201 15G-2 0.05493 0.08625 0.04666 -0.08420 0.03796
202 15G+3 0.05868 0.00000 0.00000 0.04595 0.07959
203 15G-3 -0.12667 -0.23024 0.02352 0.01934 -0.01116
204 15G+4 0.02376 0.06518 -0.01861 -0.00326 -0.04707
205 15G-4 0.06325 0.11289 -0.03223 0.04331 0.00326
206 4 H 1S -0.17334 -0.22169 -0.02864 -0.05349 -0.03088
207 2S 1.00323 1.42493 0.18731 0.01149 0.00664
208 3S -3.87081 -5.68362 -1.66594 1.10009 0.63513
209 4S -1.77076 -2.63679 -1.97514 -0.16889 -0.09751
210 5S -0.07393 -0.08795 -0.02711 0.12795 0.07387
211 6PX 0.17842 0.21921 0.39530 0.64893 -0.19636
212 6PY 0.10174 0.12656 0.22823 -0.19636 0.87567
213 6PZ 0.12342 0.09424 -0.95624 -0.90008 -0.51966
214 7PX 0.10144 0.19254 -0.52630 -0.92350 0.24804
215 7PY 0.02895 0.11117 -0.30386 0.24804 -1.20992
216 7PZ 0.08007 0.17003 1.32305 1.21043 0.69884
217 8PX -1.67537 -2.47866 0.12975 1.54037 0.02500
218 8PY -0.84556 -1.43105 0.07491 0.02500 1.51151
219 8PZ -1.21582 -1.70020 -1.72616 -1.04363 -0.60254
220 9PX -0.81223 -1.21141 -0.59161 0.23855 -0.02919
221 9PY -0.27586 -0.69941 -0.34157 -0.02919 0.27225
222 9PZ -0.53865 -0.69538 -0.65965 -0.30866 -0.17821
223 10D 0 -0.01497 -0.11316 0.13312 0.06537 0.03774
224 10D+1 0.48990 0.59900 0.06458 -0.00548 0.02257
225 10D-1 0.16200 0.34583 0.03729 0.02257 -0.03154
226 10D+2 0.20347 0.29351 -0.04272 -0.06908 0.04650
227 10D-2 0.31629 0.50838 -0.07400 -0.03326 -0.06908
228 11D 0 0.03047 0.18849 -0.17642 -0.10068 -0.05813
229 11D+1 -0.79164 -1.02231 -0.11753 0.05591 0.00340
230 11D-1 -0.27791 -0.59023 -0.06786 0.00340 0.05199
231 11D+2 -0.34169 -0.50058 0.04407 0.11936 -0.05054
232 11D-2 -0.51464 -0.86703 0.07634 0.08728 0.11936
233 12D 0 0.01576 0.15191 -0.57761 -0.69274 -0.39995
234 12D+1 -0.32440 -0.38214 -0.40630 -0.15753 -0.35286
235 12D-1 -0.15232 -0.22063 -0.23458 -0.35286 0.24992
236 12D+2 -0.24732 -0.22618 0.08090 0.50981 -0.35974
237 12D-2 -0.16762 -0.39175 0.14012 0.22893 0.50981
238 13F 0 0.02146 0.05777 0.04480 0.02750 0.01588
239 13F+1 0.00213 -0.03351 0.10106 0.09244 0.05195
240 13F-1 -0.01556 -0.01935 0.05835 0.05195 0.03245
241 13F+2 -0.02816 -0.04570 0.00808 -0.03696 0.09143
242 13F-2 -0.03672 -0.07915 0.01400 0.04876 -0.03696
243 13F+3 0.01028 0.00000 0.00000 -0.03131 0.05424
244 13F-3 -0.02279 -0.06673 -0.05698 -0.05143 -0.02969
245 14F 0 0.11937 0.21324 -0.11195 -0.10352 -0.05977
246 14F+1 -0.12130 -0.01073 -0.33278 -0.30631 -0.18408
247 14F-1 -0.00717 -0.00619 -0.19213 -0.18408 -0.09375
248 14F+2 -0.18445 -0.17216 -0.02147 0.10911 -0.25565
249 14F-2 -0.15094 -0.29820 -0.03719 -0.12967 0.10911
250 14F+3 -0.06680 0.00000 0.00000 0.12023 -0.20824
251 14F-3 -0.13813 -0.24707 0.15339 0.17514 0.10112
252 15G 0 0.07322 0.10575 0.04297 0.03929 0.02268
253 15G+1 0.03958 0.11813 -0.06531 -0.05490 -0.02067
254 15G-1 0.02856 0.06820 -0.03771 -0.02067 -0.03104
255 15G+2 -0.10255 -0.04979 -0.02694 -0.03796 -0.04036
256 15G-2 -0.05493 -0.08625 -0.04666 -0.08420 -0.03796
257 15G+3 -0.05868 0.00000 0.00000 0.04595 -0.07959
258 15G-3 -0.12667 -0.23024 0.02352 -0.01934 -0.01116
259 15G+4 0.02376 0.06518 -0.01861 0.00326 -0.04707
260 15G-4 -0.06325 -0.11289 0.03223 0.04331 -0.00326
251 252 253 254 255
(A2)--V (E)--V (E)--V (A1)--V (E)--V
Eigenvalues -- 17.47052 17.65218 17.65218 18.46717 18.70977
1 1 P 1S 0.00000 0.00000 0.00000 0.01488 0.00000
2 2S 0.00000 0.00000 0.00000 0.21843 0.00000
3 3S 0.00000 0.00000 0.00000 -0.63196 0.00000
4 4S 0.00000 0.00000 0.00000 -3.98537 0.00000
5 5S 0.00000 0.00000 0.00000 1.47994 0.00000
6 6S 0.00000 0.00000 0.00000 17.11860 0.00000
7 7S 0.00000 0.00000 0.00000 2.37228 0.00000
8 8PX 0.00000 0.03712 0.00000 0.00000 0.27448
9 8PY 0.00000 0.00000 0.03712 0.00000 0.00000
10 8PZ 0.00000 0.00000 0.00000 0.94414 0.00000
11 9PX 0.00000 0.05720 0.00000 0.00000 0.38020
12 9PY 0.00000 0.00000 0.05720 0.00000 0.00000
13 9PZ 0.00000 0.00000 0.00000 1.59505 0.00000
14 10PX 0.00000 0.11137 0.00000 0.00000 -1.10380
15 10PY 0.00000 0.00000 0.11137 0.00000 0.00000
16 10PZ 0.00000 0.00000 0.00000 2.92677 0.00000
17 11PX 0.00000 -0.55312 0.00000 0.00000 6.33283
18 11PY 0.00000 0.00000 -0.55312 0.00000 0.00000
19 11PZ 0.00000 0.00000 0.00000 -6.77053 0.00000
20 12PX 0.00000 0.12918 0.00000 0.00000 3.97206
21 12PY 0.00000 0.00000 0.12918 0.00000 0.00000
22 12PZ 0.00000 0.00000 0.00000 -6.28867 0.00000
23 13PX 0.00000 0.01841 0.00000 0.00000 -0.00215
24 13PY 0.00000 0.00000 0.01841 0.00000 0.00000
25 13PZ 0.00000 0.00000 0.00000 -0.32058 0.00000
26 14D 0 0.00000 0.00000 0.00000 0.07936 0.00000
27 14D+1 0.00000 -0.49893 0.00000 0.00000 -1.19395
28 14D-1 0.00000 0.00000 -0.49893 0.00000 0.00000
29 14D+2 0.00000 0.00000 0.56434 0.00000 0.00000
30 14D-2 0.00000 0.56434 0.00000 0.00000 -0.79739
31 15D 0 0.00000 0.00000 0.00000 0.48333 0.00000
32 15D+1 0.00000 -1.03260 0.00000 0.00000 -4.19293
33 15D-1 0.00000 0.00000 -1.03260 0.00000 0.00000
34 15D+2 0.00000 0.00000 2.87056 0.00000 0.00000
35 15D-2 0.00000 2.87056 0.00000 0.00000 -3.22019
36 16D 0 0.00000 0.00000 0.00000 -0.19052 0.00000
37 16D+1 0.00000 0.38818 0.00000 0.00000 -0.46560
38 16D-1 0.00000 0.00000 0.38818 0.00000 0.00000
39 16D+2 0.00000 0.00000 -0.59138 0.00000 0.00000
40 16D-2 0.00000 -0.59138 0.00000 0.00000 -0.35228
41 17D 0 0.00000 0.00000 0.00000 0.03752 0.00000
42 17D+1 0.00000 -0.09339 0.00000 0.00000 0.28513
43 17D-1 0.00000 0.00000 -0.09339 0.00000 0.00000
44 17D+2 0.00000 0.00000 0.10781 0.00000 0.00000
45 17D-2 0.00000 0.10781 0.00000 0.00000 0.21733
46 18F 0 0.00000 0.00000 0.00000 0.49734 0.00000
47 18F+1 0.00000 0.43165 0.00000 0.00000 0.23599
48 18F-1 0.00000 0.00000 0.43165 0.00000 0.00000
49 18F+2 0.00000 0.00000 -0.23486 0.00000 0.00000
50 18F-2 0.00000 -0.23486 0.00000 0.00000 0.28499
51 18F+3 0.45442 0.00000 0.00000 0.00000 0.00000
52 18F-3 0.00000 0.00000 0.00000 -0.52365 0.00000
53 19F 0 0.00000 0.00000 0.00000 0.95262 0.00000
54 19F+1 0.00000 1.28523 0.00000 0.00000 0.91706
55 19F-1 0.00000 0.00000 1.28523 0.00000 0.00000
56 19F+2 0.00000 0.00000 -1.44483 0.00000 0.00000
57 19F-2 0.00000 -1.44483 0.00000 0.00000 1.60214
58 19F+3 1.89496 0.00000 0.00000 0.00000 0.00000
59 19F-3 0.00000 0.00000 0.00000 -0.95237 0.00000
60 20F 0 0.00000 0.00000 0.00000 0.33990 0.00000
61 20F+1 0.00000 -0.11203 0.00000 0.00000 0.11858
62 20F-1 0.00000 0.00000 -0.11203 0.00000 0.00000
63 20F+2 0.00000 0.00000 0.06174 0.00000 0.00000
64 20F-2 0.00000 0.06174 0.00000 0.00000 0.55226
65 20F+3 -0.15220 0.00000 0.00000 0.00000 0.00000
66 20F-3 0.00000 0.00000 0.00000 -0.39608 0.00000
67 21G 0 0.00000 0.00000 0.00000 -0.47707 0.00000
68 21G+1 0.00000 -0.56035 0.00000 0.00000 -0.14633
69 21G-1 0.00000 0.00000 -0.56035 0.00000 0.00000
70 21G+2 0.00000 0.00000 0.14191 0.00000 0.00000
71 21G-2 0.00000 0.14191 0.00000 0.00000 -0.34072
72 21G+3 -1.17069 0.00000 0.00000 0.00000 0.00000
73 21G-3 0.00000 0.00000 0.00000 0.50297 0.00000
74 21G+4 0.00000 0.00000 0.04825 0.00000 0.00000
75 21G-4 0.00000 -0.04825 0.00000 0.00000 0.09129
76 22G 0 0.00000 0.00000 0.00000 -0.25128 0.00000
77 22G+1 0.00000 -0.08623 0.00000 0.00000 0.14126
78 22G-1 0.00000 0.00000 -0.08623 0.00000 0.00000
79 22G+2 0.00000 0.00000 -0.03347 0.00000 0.00000
80 22G-2 0.00000 -0.03347 0.00000 0.00000 -0.22975
81 22G+3 -0.29041 0.00000 0.00000 0.00000 0.00000
82 22G-3 0.00000 0.00000 0.00000 0.34559 0.00000
83 22G+4 0.00000 0.00000 0.07399 0.00000 0.00000
84 22G-4 0.00000 -0.07399 0.00000 0.00000 -0.14622
85 23H 0 0.00000 0.00000 0.00000 0.13238 0.00000
86 23H+1 0.00000 -0.00352 0.00000 0.00000 0.00859
87 23H-1 0.00000 0.00000 -0.00352 0.00000 0.00000
88 23H+2 0.00000 0.00000 0.13190 0.00000 0.00000
89 23H-2 0.00000 0.13190 0.00000 0.00000 0.03672
90 23H+3 0.28814 0.00000 0.00000 0.00000 0.00000
91 23H-3 0.00000 0.00000 0.00000 -0.09415 0.00000
92 23H+4 0.00000 0.00000 -0.13182 0.00000 0.00000
93 23H-4 0.00000 0.13182 0.00000 0.00000 -0.09914
94 23H+5 0.00000 0.18503 0.00000 0.00000 -0.04171
95 23H-5 0.00000 0.00000 -0.18503 0.00000 0.00000
96 2 H 1S 0.00000 0.00000 -0.03268 -0.46807 0.00000
97 2S 0.00000 0.00000 -0.01466 1.91399 0.00000
98 3S 0.00000 0.00000 0.85665 -4.99117 0.00000
99 4S 0.00000 0.00000 0.26645 -4.68764 0.00000
100 5S 0.00000 0.00000 0.01074 0.00732 0.00000
101 6PX 1.08922 -1.17365 0.00000 0.00000 0.04183
102 6PY 0.00000 0.00000 0.47380 0.96052 0.00000
103 6PZ 0.00000 0.00000 0.87965 -0.39752 0.00000
104 7PX -1.51568 1.69950 0.00000 0.00000 -0.08457
105 7PY 0.00000 0.00000 -0.65092 -1.74856 0.00000
106 7PZ 0.00000 0.00000 -1.28764 0.74671 0.00000
107 8PX 1.81694 -1.94947 0.00000 0.00000 0.28429
108 8PY 0.00000 0.00000 0.35253 3.26471 0.00000
109 8PZ 0.00000 0.00000 1.76467 -1.58648 0.00000
110 9PX 0.45353 -0.58487 0.00000 0.00000 0.03467
111 9PY 0.00000 0.00000 -0.00134 2.23469 0.00000
112 9PZ 0.00000 0.00000 0.59291 -1.10954 0.00000
113 10D 0 0.00000 0.00000 -0.11760 -0.07358 0.00000
114 10D+1 -0.05024 0.09284 0.00000 0.00000 -0.03225
115 10D-1 0.00000 0.00000 0.09411 -0.19259 0.00000
116 10D+2 0.00000 0.00000 -0.06057 -0.19877 0.00000
117 10D-2 0.08749 -0.21326 0.00000 0.00000 -0.01502
118 11D 0 0.00000 0.00000 0.14293 0.10244 0.00000
119 11D+1 0.05977 -0.14469 0.00000 0.00000 0.06112
120 11D-1 0.00000 0.00000 -0.14956 0.36968 0.00000
121 11D+2 0.00000 0.00000 0.05936 0.34956 0.00000
122 11D-2 -0.13663 0.25642 0.00000 0.00000 -0.01713
123 12D 0 0.00000 0.00000 0.69688 0.36189 0.00000
124 12D+1 0.63116 -0.35228 0.00000 0.00000 0.15422
125 12D-1 0.00000 0.00000 -0.64189 0.89128 0.00000
126 12D+2 0.00000 0.00000 0.24397 0.94556 0.00000
127 12D-2 -0.80388 1.06819 0.00000 0.00000 -0.10820
128 13F 0 0.00000 0.00000 -0.00670 -0.03421 0.00000
129 13F+1 -0.04120 -0.02654 0.00000 0.00000 -0.01516
130 13F-1 0.00000 0.00000 0.14681 0.04161 0.00000
131 13F+2 0.00000 0.00000 0.02505 -0.03304 0.00000
132 13F-2 0.10707 -0.08980 0.00000 0.00000 0.01674
133 13F+3 0.08293 -0.17713 0.00000 0.00000 -0.03336
134 13F-3 0.00000 0.00000 0.03602 0.03474 0.00000
135 14F 0 0.00000 0.00000 0.02526 0.22859 0.00000
136 14F+1 0.08433 0.03596 0.00000 0.00000 0.05348
137 14F-1 0.00000 0.00000 -0.45609 -0.08461 0.00000
138 14F+2 0.00000 0.00000 -0.09919 0.32623 0.00000
139 14F-2 -0.35788 0.31357 0.00000 0.00000 -0.09833
140 14F+3 -0.29909 0.52738 0.00000 0.00000 0.03792
141 14F-3 0.00000 0.00000 -0.11266 -0.25717 0.00000
142 15G 0 0.00000 0.00000 -0.05347 0.00386 0.00000
143 15G+1 -0.03517 0.00102 0.00000 0.00000 -0.00841
144 15G-1 0.00000 0.00000 -0.05140 -0.05808 0.00000
145 15G+2 0.00000 0.00000 -0.06468 0.02571 0.00000
146 15G-2 -0.03571 0.01634 0.00000 0.00000 -0.02755
147 15G+3 -0.09292 0.07170 0.00000 0.00000 -0.02989
148 15G-3 0.00000 0.00000 0.00047 -0.07897 0.00000
149 15G+4 0.00000 0.00000 -0.00788 -0.02892 0.00000
150 15G-4 0.07251 -0.10628 0.00000 0.00000 -0.02161
151 3 H 1S 0.00000 -0.02830 0.01634 -0.46807 -0.57599
152 2S 0.00000 -0.01270 0.00733 1.91399 2.38441
153 3S 0.00000 0.74188 -0.42832 -4.99117 -5.72615
154 4S 0.00000 0.23075 -0.13322 -4.68764 -4.10021
155 5S 0.00000 0.00930 -0.00537 0.00732 0.23461
156 6PX -0.54461 0.06194 -0.71337 0.83183 1.04109
157 6PY -0.94329 -0.71337 -0.76179 -0.48026 -0.57693
158 6PZ 0.00000 0.76180 -0.43982 -0.39752 -0.61313
159 7PX 0.75784 -0.06332 1.01776 -1.51429 -1.96364
160 7PY 1.31262 1.01776 1.11189 0.87428 1.08488
161 7PZ 0.00000 -1.11513 0.64382 0.74671 1.17393
162 8PX -0.90847 -0.22297 -0.99680 2.82732 3.72483
163 8PY -1.57352 -0.99680 -1.37397 -1.63235 -1.98639
164 8PZ 0.00000 1.52825 -0.88234 -1.58648 -2.19254
165 9PX -0.22677 -0.14722 -0.25267 1.93530 1.87469
166 9PY -0.39277 -0.25267 -0.43899 -1.11734 -1.06233
167 9PZ 0.00000 0.51348 -0.29646 -1.10954 -1.16803
168 10D 0 0.00000 -0.10185 0.05880 -0.07358 -0.04240
169 10D+1 0.02512 0.09379 -0.00055 -0.16679 -0.29881
170 10D-1 0.04350 -0.00055 0.09316 0.09629 0.15390
171 10D+2 -0.07577 -0.06611 -0.17509 0.09939 0.13431
172 10D-2 -0.04374 -0.09874 -0.06611 -0.17214 -0.24766
173 11D 0 0.00000 0.12378 -0.07147 0.10244 0.07754
174 11D+1 -0.02988 -0.14834 0.00211 0.32015 0.47975
175 11D-1 -0.05176 0.00211 -0.14591 -0.18484 -0.24170
176 11D+2 0.11832 0.08533 0.20716 -0.17478 -0.23626
177 11D-2 0.06831 0.10863 0.08533 0.30273 0.39208
178 12D 0 0.00000 0.60351 -0.34844 0.36189 0.33297
179 12D+1 -0.31558 -0.56949 0.12540 0.77187 1.19974
180 12D-1 -0.54660 0.12540 -0.42468 -0.44564 -0.60364
181 12D+2 0.69618 0.35690 0.86214 -0.47278 -0.67803
182 12D-2 0.40194 0.45002 0.35690 0.81888 1.06617
183 13F 0 0.00000 -0.00580 0.00335 -0.03421 -0.06151
184 13F+1 0.02060 0.10348 -0.07506 0.03604 -0.02382
185 13F-1 0.03568 -0.07506 0.01680 -0.02081 0.00500
186 13F+2 -0.09272 -0.04973 -0.06109 0.01652 0.05367
187 13F-2 -0.05353 -0.00366 -0.04973 -0.02861 -0.07622
188 13F+3 0.08293 0.08856 0.15340 0.00000 0.01668
189 13F-3 0.00000 0.03119 -0.01801 0.03474 0.07633
190 14F 0 0.00000 0.02188 -0.01263 0.22859 0.33348
191 14F+1 -0.04217 -0.33308 0.21306 -0.07328 0.10452
192 14F-1 -0.07304 0.21306 -0.08706 0.04231 -0.02947
193 14F+2 0.30993 0.17873 0.21038 -0.16311 -0.30576
194 14F-2 0.17894 0.00400 0.17873 0.28252 0.43127
195 14F+3 -0.29909 -0.26369 -0.45672 0.00000 -0.01896
196 14F-3 0.00000 -0.09757 0.05633 -0.25717 -0.39522
197 15G 0 0.00000 -0.04631 0.02674 0.00386 0.07577
198 15G+1 0.01758 -0.03830 0.02270 -0.05030 -0.07071
199 15G-1 0.03046 0.02270 -0.01209 0.02904 0.03597
200 15G+2 0.03093 0.03508 -0.00391 -0.01285 -0.04864
201 15G-2 0.01786 -0.04442 0.03508 0.02226 0.05669
202 15G+3 -0.09292 -0.03585 -0.06209 0.00000 0.01495
203 15G-3 0.00000 0.00041 -0.00023 -0.07897 -0.13456
204 15G+4 0.06279 0.04943 0.07774 0.01446 0.05387
205 15G-4 -0.03625 -0.02066 -0.04943 0.02505 0.07169
206 4 H 1S 0.00000 0.02830 0.01634 -0.46807 0.57599
207 2S 0.00000 0.01270 0.00733 1.91399 -2.38441
208 3S 0.00000 -0.74188 -0.42832 -4.99117 5.72615
209 4S 0.00000 -0.23075 -0.13322 -4.68764 4.10021
210 5S 0.00000 -0.00930 -0.00537 0.00732 -0.23461
211 6PX -0.54461 0.06194 0.71337 -0.83183 1.04109
212 6PY 0.94329 0.71337 -0.76179 -0.48026 0.57693
213 6PZ 0.00000 -0.76180 -0.43982 -0.39752 0.61313
214 7PX 0.75784 -0.06332 -1.01776 1.51429 -1.96364
215 7PY -1.31262 -1.01776 1.11189 0.87428 -1.08488
216 7PZ 0.00000 1.11513 0.64382 0.74671 -1.17393
217 8PX -0.90847 -0.22297 0.99680 -2.82732 3.72483
218 8PY 1.57352 0.99680 -1.37397 -1.63235 1.98639
219 8PZ 0.00000 -1.52825 -0.88234 -1.58648 2.19254
220 9PX -0.22677 -0.14722 0.25267 -1.93530 1.87469
221 9PY 0.39277 0.25267 -0.43899 -1.11734 1.06233
222 9PZ 0.00000 -0.51348 -0.29646 -1.10954 1.16803
223 10D 0 0.00000 0.10185 0.05880 -0.07358 0.04240
224 10D+1 0.02512 0.09379 0.00055 0.16679 -0.29881
225 10D-1 -0.04350 0.00055 0.09316 0.09629 -0.15390
226 10D+2 0.07577 0.06611 -0.17509 0.09939 -0.13431
227 10D-2 -0.04374 -0.09874 0.06611 0.17214 -0.24766
228 11D 0 0.00000 -0.12378 -0.07147 0.10244 -0.07754
229 11D+1 -0.02988 -0.14834 -0.00211 -0.32015 0.47975
230 11D-1 0.05176 -0.00211 -0.14591 -0.18484 0.24170
231 11D+2 -0.11832 -0.08533 0.20716 -0.17478 0.23626
232 11D-2 0.06831 0.10863 -0.08533 -0.30273 0.39208
233 12D 0 0.00000 -0.60351 -0.34844 0.36189 -0.33297
234 12D+1 -0.31558 -0.56949 -0.12540 -0.77187 1.19974
235 12D-1 0.54660 -0.12540 -0.42468 -0.44564 0.60364
236 12D+2 -0.69618 -0.35690 0.86214 -0.47278 0.67803
237 12D-2 0.40194 0.45002 -0.35690 -0.81888 1.06617
238 13F 0 0.00000 0.00580 0.00335 -0.03421 0.06151
239 13F+1 0.02060 0.10348 0.07506 -0.03604 -0.02382
240 13F-1 -0.03568 0.07506 0.01680 -0.02081 -0.00500
241 13F+2 0.09272 0.04973 -0.06109 0.01652 -0.05367
242 13F-2 -0.05353 -0.00366 0.04973 0.02861 -0.07622
243 13F+3 0.08293 0.08856 -0.15340 0.00000 0.01668
244 13F-3 0.00000 -0.03119 -0.01801 0.03474 -0.07633
245 14F 0 0.00000 -0.02188 -0.01263 0.22859 -0.33348
246 14F+1 -0.04217 -0.33308 -0.21306 0.07328 0.10452
247 14F-1 0.07304 -0.21306 -0.08706 0.04231 0.02947
248 14F+2 -0.30993 -0.17873 0.21038 -0.16311 0.30576
249 14F-2 0.17894 0.00400 -0.17873 -0.28252 0.43127
250 14F+3 -0.29909 -0.26369 0.45672 0.00000 -0.01896
251 14F-3 0.00000 0.09757 0.05633 -0.25717 0.39522
252 15G 0 0.00000 0.04631 0.02674 0.00386 -0.07577
253 15G+1 0.01758 -0.03830 -0.02270 0.05030 -0.07071
254 15G-1 -0.03046 -0.02270 -0.01209 0.02904 -0.03597
255 15G+2 -0.03093 -0.03508 -0.00391 -0.01285 0.04864
256 15G-2 0.01786 -0.04442 -0.03508 -0.02226 0.05669
257 15G+3 -0.09292 -0.03585 0.06209 0.00000 0.01495
258 15G-3 0.00000 -0.00041 -0.00023 -0.07897 0.13456
259 15G+4 -0.06279 -0.04943 0.07774 0.01446 -0.05387
260 15G-4 -0.03625 -0.02066 0.04943 -0.02505 0.07169
256 257 258 259 260
(E)--V (A1)--V (E)--V (E)--V (A1)--V
Eigenvalues -- 18.70977 19.38234 20.50403 20.50403 61.09708
1 1 P 1S 0.00000 0.03905 0.00000 0.00000 2.11781
2 2S 0.00000 0.18375 0.00000 0.00000 7.48723
3 3S 0.00000 0.41010 0.00000 0.00000 17.83514
4 4S 0.00000 1.80097 0.00000 0.00000 21.04040
5 5S 0.00000 -8.90405 0.00000 0.00000 -14.78203
6 6S 0.00000 14.14167 0.00000 0.00000 -10.32453
7 7S 0.00000 1.66676 0.00000 0.00000 -0.74221
8 8PX 0.00000 0.00000 0.00000 -2.80400 0.00000
9 8PY -0.27448 0.00000 -2.80400 0.00000 0.00000
10 8PZ 0.00000 2.46980 0.00000 0.00000 -0.41391
11 9PX 0.00000 0.00000 0.00000 -4.90376 0.00000
12 9PY -0.38020 0.00000 -4.90376 0.00000 0.00000
13 9PZ 0.00000 4.12137 0.00000 0.00000 -0.96499
14 10PX 0.00000 0.00000 0.00000 -7.57393 0.00000
15 10PY 1.10380 0.00000 -7.57393 0.00000 0.00000
16 10PZ 0.00000 4.49403 0.00000 0.00000 -3.46375
17 11PX 0.00000 0.00000 0.00000 12.10287 0.00000
18 11PY -6.33283 0.00000 12.10287 0.00000 0.00000
19 11PZ 0.00000 -2.83794 0.00000 0.00000 9.30263
20 12PX 0.00000 0.00000 0.00000 7.66903 0.00000
21 12PY -3.97206 0.00000 7.66903 0.00000 0.00000
22 12PZ 0.00000 -5.79323 0.00000 0.00000 3.04586
23 13PX 0.00000 0.00000 0.00000 0.12874 0.00000
24 13PY 0.00215 0.00000 0.12874 0.00000 0.00000
25 13PZ 0.00000 -0.13605 0.00000 0.00000 -0.00732
26 14D 0 0.00000 0.10712 0.00000 0.00000 0.01850
27 14D+1 0.00000 0.00000 0.00000 -2.32395 0.00000
28 14D-1 1.19395 0.00000 -2.32395 0.00000 0.00000
29 14D+2 0.79739 0.00000 -1.65118 0.00000 0.00000
30 14D-2 0.00000 0.00000 0.00000 -1.65118 0.00000
31 15D 0 0.00000 1.01744 0.00000 0.00000 0.73561
32 15D+1 0.00000 0.00000 0.00000 -8.08723 0.00000
33 15D-1 4.19293 0.00000 -8.08723 0.00000 0.00000
34 15D+2 3.22019 0.00000 -5.73258 0.00000 0.00000
35 15D-2 0.00000 0.00000 0.00000 -5.73258 0.00000
36 16D 0 0.00000 -0.12464 0.00000 0.00000 -0.09567
37 16D+1 0.00000 0.00000 0.00000 1.27576 0.00000
38 16D-1 0.46560 0.00000 1.27576 0.00000 0.00000
39 16D+2 0.35228 0.00000 0.93091 0.00000 0.00000
40 16D-2 0.00000 0.00000 0.00000 0.93091 0.00000
41 17D 0 0.00000 -0.00670 0.00000 0.00000 0.01323
42 17D+1 0.00000 0.00000 0.00000 -0.14177 0.00000
43 17D-1 -0.28513 0.00000 -0.14177 0.00000 0.00000
44 17D+2 -0.21733 0.00000 -0.12535 0.00000 0.00000
45 17D-2 0.00000 0.00000 0.00000 -0.12535 0.00000
46 18F 0 0.00000 0.66344 0.00000 0.00000 0.04292
47 18F+1 0.00000 0.00000 0.00000 0.13588 0.00000
48 18F-1 -0.23599 0.00000 0.13588 0.00000 0.00000
49 18F+2 -0.28499 0.00000 0.56556 0.00000 0.00000
50 18F-2 0.00000 0.00000 0.00000 0.56556 0.00000
51 18F+3 0.00000 0.00000 0.00000 0.00000 0.00000
52 18F-3 0.00000 -0.70729 0.00000 0.00000 -0.01100
53 19F 0 0.00000 0.85689 0.00000 0.00000 -2.25916
54 19F+1 0.00000 0.00000 0.00000 1.13511 0.00000
55 19F-1 -0.91706 0.00000 1.13511 0.00000 0.00000
56 19F+2 -1.60214 0.00000 3.40280 0.00000 0.00000
57 19F-2 0.00000 0.00000 0.00000 3.40280 0.00000
58 19F+3 0.00000 0.00000 0.00000 0.00000 0.00000
59 19F-3 0.00000 -0.82250 0.00000 0.00000 2.59249
60 20F 0 0.00000 -0.39087 0.00000 0.00000 -0.38328
61 20F+1 0.00000 0.00000 0.00000 -0.00475 0.00000
62 20F-1 -0.11858 0.00000 -0.00475 0.00000 0.00000
63 20F+2 -0.55226 0.00000 0.02119 0.00000 0.00000
64 20F-2 0.00000 0.00000 0.00000 0.02119 0.00000
65 20F+3 0.00000 0.00000 0.00000 0.00000 0.00000
66 20F-3 0.00000 0.42976 0.00000 0.00000 0.41454
67 21G 0 0.00000 -0.80010 0.00000 0.00000 0.43472
68 21G+1 0.00000 0.00000 0.00000 0.59543 0.00000
69 21G-1 0.14633 0.00000 0.59543 0.00000 0.00000
70 21G+2 0.34072 0.00000 -0.68451 0.00000 0.00000
71 21G-2 0.00000 0.00000 0.00000 -0.68451 0.00000
72 21G+3 0.00000 0.00000 0.00000 0.00000 0.00000
73 21G-3 0.00000 1.01094 0.00000 0.00000 -0.96240
74 21G+4 0.09129 0.00000 0.71585 0.00000 0.00000
75 21G-4 0.00000 0.00000 0.00000 -0.71585 0.00000
76 22G 0 0.00000 -0.10611 0.00000 0.00000 0.55661
77 22G+1 0.00000 0.00000 0.00000 0.38765 0.00000
78 22G-1 -0.14126 0.00000 0.38765 0.00000 0.00000
79 22G+2 0.22975 0.00000 -0.24440 0.00000 0.00000
80 22G-2 0.00000 0.00000 0.00000 -0.24440 0.00000
81 22G+3 0.00000 0.00000 0.00000 0.00000 0.00000
82 22G-3 0.00000 -0.00506 0.00000 0.00000 -0.99464
83 22G+4 -0.14622 0.00000 0.46177 0.00000 0.00000
84 22G-4 0.00000 0.00000 0.00000 -0.46177 0.00000
85 23H 0 0.00000 0.21624 0.00000 0.00000 -0.01198
86 23H+1 0.00000 0.00000 0.00000 -0.38807 0.00000
87 23H-1 -0.00859 0.00000 -0.38807 0.00000 0.00000
88 23H+2 -0.03672 0.00000 -0.09051 0.00000 0.00000
89 23H-2 0.00000 0.00000 0.00000 -0.09051 0.00000
90 23H+3 0.00000 0.00000 0.00000 0.00000 0.00000
91 23H-3 0.00000 -0.45050 0.00000 0.00000 0.45177
92 23H+4 -0.09914 0.00000 -0.54501 0.00000 0.00000
93 23H-4 0.00000 0.00000 0.00000 0.54501 0.00000
94 23H+5 0.00000 0.00000 0.00000 -0.14004 0.00000
95 23H-5 -0.04171 0.00000 0.14004 0.00000 0.00000
96 2 H 1S 0.66509 0.15268 -0.14017 0.00000 0.10932
97 2S -2.75328 -0.29107 1.92969 0.00000 -1.47606
98 3S 6.61199 -2.38799 -10.69487 0.00000 6.30110
99 4S 4.73452 -2.82063 -6.45121 0.00000 2.11786
100 5S -0.27090 -0.00270 0.09221 0.00000 0.08024
101 6PX 0.00000 0.00000 0.00000 -0.03667 0.00000
102 6PY -1.37418 -0.26203 0.20865 0.00000 -0.10696
103 6PZ 0.70798 0.35191 -0.15317 0.00000 0.09110
104 7PX 0.00000 0.00000 0.00000 0.11580 0.00000
105 7PY 2.59000 0.43606 -0.82752 0.00000 0.68289
106 7PZ -1.35553 -0.64850 0.59417 0.00000 -0.49730
107 8PX 0.00000 0.00000 0.00000 -0.24222 0.00000
108 8PY -4.87167 0.62533 5.57472 0.00000 -3.65918
109 8PZ 2.53173 0.26114 -3.70632 0.00000 2.49774
110 9PX 0.00000 0.00000 0.00000 -0.32482 0.00000
111 9PY -2.48803 1.09852 2.99569 0.00000 -1.55388
112 9PZ 1.34872 -0.29529 -2.12914 0.00000 0.94314
113 10D 0 0.04896 -0.04987 0.01268 0.00000 0.02694
114 10D+1 0.00000 0.00000 0.00000 0.02963 0.00000
115 10D-1 0.38766 0.10463 -0.27311 0.00000 0.20052
116 10D+2 0.32520 0.02791 -0.18621 0.00000 0.16058
117 10D-2 0.00000 0.00000 0.00000 -0.07248 0.00000
118 11D 0 -0.08953 0.10806 0.01218 0.00000 -0.09026
119 11D+1 0.00000 0.00000 0.00000 -0.06769 0.00000
120 11D-1 -0.61929 0.02647 1.00513 0.00000 -0.72184
121 11D+2 -0.52849 0.12053 0.72921 0.00000 -0.57656
122 11D-2 0.00000 0.00000 0.00000 0.13434 0.00000
123 12D 0 -0.38448 0.36673 0.01327 0.00000 -0.03100
124 12D+1 0.00000 0.00000 0.00000 -0.24431 0.00000
125 12D-1 -1.54825 -0.44714 1.58124 0.00000 -1.28741
126 12D+2 -1.45763 0.00669 1.12239 0.00000 -0.98192
127 12D-2 0.00000 0.00000 0.00000 0.20466 0.00000
128 13F 0 0.07103 0.05676 0.03150 0.00000 -0.01506
129 13F+1 0.00000 0.00000 0.00000 0.01065 0.00000
130 13F-1 0.02671 0.07034 0.01620 0.00000 -0.00220
131 13F+2 0.10720 0.10061 0.07708 0.00000 -0.01747
132 13F-2 0.00000 0.00000 0.00000 -0.00152 0.00000
133 13F+3 0.00000 0.00000 0.00000 -0.02117 0.00000
134 13F-3 -0.08814 -0.06559 -0.03574 0.00000 0.01304
135 14F 0 -0.38507 -0.08747 0.13616 0.00000 -0.25499
136 14F+1 0.00000 0.00000 0.00000 -0.05797 0.00000
137 14F-1 -0.12153 -0.31938 0.20593 0.00000 -0.11653
138 14F+2 -0.60780 -0.25330 0.27392 0.00000 -0.45093
139 14F-2 0.00000 0.00000 0.00000 0.16863 0.00000
140 14F+3 0.00000 0.00000 0.00000 0.18097 0.00000
141 14F-3 0.45636 0.08703 -0.14838 0.00000 0.30497
142 15G 0 -0.08750 -0.06540 -0.01310 0.00000 -0.02138
143 15G+1 0.00000 0.00000 0.00000 0.00765 0.00000
144 15G-1 0.09148 0.00550 0.06327 0.00000 0.03689
145 15G+2 -0.08477 -0.09855 0.00610 0.00000 -0.01135
146 15G-2 0.00000 0.00000 0.00000 0.02598 0.00000
147 15G+3 0.00000 0.00000 0.00000 0.07000 0.00000
148 15G-3 0.15538 0.07378 0.06283 0.00000 0.05098
149 15G+4 0.10279 0.03604 0.04098 0.00000 0.03306
150 15G-4 0.00000 0.00000 0.00000 -0.05634 0.00000
151 3 H 1S -0.33255 0.15268 0.07008 -0.12139 0.10932
152 2S 1.37664 -0.29107 -0.96485 1.67116 -1.47606
153 3S -3.30600 -2.38799 5.34743 -9.26203 6.30110
154 4S -2.36726 -2.82063 3.22560 -5.58691 2.11786
155 5S 0.13545 -0.00270 -0.04610 0.07985 0.08024
156 6PX 0.57693 -0.22692 -0.10623 0.14732 -0.09263
157 6PY -0.37492 0.13101 0.02466 -0.10623 0.05348
158 6PZ -0.35399 0.35191 0.07659 -0.13265 0.09110
159 7PX -1.08488 0.37764 0.40847 -0.59169 0.59140
160 7PY 0.71093 -0.21803 -0.12003 0.40847 -0.34144
161 7PZ 0.67777 -0.64850 -0.29709 0.51457 -0.49730
162 8PX 1.98639 0.54155 -2.51881 4.12048 -3.16894
163 8PY -1.43114 -0.31267 1.21201 -2.51881 1.82959
164 8PZ -1.26586 0.26114 1.85316 -3.20977 2.49774
165 9PX 1.06233 0.95135 -1.43782 2.16556 -1.34570
166 9PY -0.64801 -0.54926 0.50530 -1.43782 0.77694
167 9PZ -0.67436 -0.29529 1.06457 -1.84389 0.94314
168 10D 0 -0.02448 -0.04987 -0.00634 0.01098 0.02694
169 10D+1 -0.15390 0.09061 0.13109 -0.19743 0.17366
170 10D-1 0.12111 -0.05231 -0.04605 0.13109 -0.10026
171 10D+2 0.09257 -0.01396 -0.10091 0.04925 -0.08029
172 10D-2 -0.13431 0.02417 0.04925 -0.15778 0.13906
173 11D 0 0.04477 0.10806 -0.00609 0.01055 -0.09026
174 11D+1 0.24170 0.02293 -0.46454 0.73693 -0.62514
175 11D-1 -0.20066 -0.01324 0.20052 -0.46454 0.36092
176 11D+2 -0.11928 -0.06026 0.28306 -0.25759 0.28828
177 11D-2 0.23626 0.10438 -0.25759 0.58049 -0.49931
178 12D 0 0.19224 0.36673 -0.00664 0.01149 -0.03100
179 12D+1 0.60364 -0.38723 -0.79049 1.12485 -1.11493
180 12D-1 -0.50273 0.22357 0.21208 -0.79049 0.64371
181 12D+2 -0.28325 -0.00335 0.43409 -0.39739 0.49096
182 12D-2 0.67803 0.00579 -0.39739 0.89296 -0.85037
183 13F 0 -0.03551 0.05676 -0.01575 0.02728 -0.01506
184 13F+1 -0.00500 0.06092 -0.00240 0.01481 -0.00191
185 13F-1 0.01805 -0.03517 0.01203 -0.00240 0.00110
186 13F+2 0.01425 -0.05031 0.01813 -0.03404 0.00873
187 13F-2 -0.05367 0.08713 -0.03404 0.05743 -0.01513
188 13F+3 -0.02889 0.00000 0.01833 0.01058 0.00000
189 13F-3 0.04407 -0.06559 0.01787 -0.03096 0.01304
190 14F 0 0.19254 -0.08747 -0.06808 0.11792 -0.25499
191 14F+1 0.02947 -0.27659 -0.11427 0.13995 -0.10092
192 14F-1 -0.07049 0.15969 0.00800 -0.11427 0.05826
193 14F+2 -0.07820 0.12665 0.19496 -0.04559 0.22546
194 14F-2 0.30576 -0.21937 -0.04559 0.24760 -0.39051
195 14F+3 0.03284 0.00000 -0.15672 -0.09048 0.00000
196 14F-3 -0.22818 0.08703 0.07419 -0.12850 0.30497
197 15G 0 0.04375 -0.06540 0.00655 -0.01134 -0.02138
198 15G+1 -0.03597 0.00477 -0.02409 0.04937 0.03194
199 15G-1 0.02918 -0.00275 0.02155 -0.02409 -0.01844
200 15G+2 -0.00053 0.04927 0.02101 0.00861 0.00567
201 15G-2 0.04864 -0.08534 0.00861 0.01107 -0.00983
202 15G+3 -0.02589 0.00000 -0.06062 -0.03500 0.00000
203 15G-3 -0.07769 0.07378 -0.03142 0.05442 0.05098
204 15G+4 0.00949 -0.01802 0.05250 0.00665 -0.01653
205 15G-4 0.05387 -0.03121 -0.00665 -0.04482 -0.02863
206 4 H 1S -0.33255 0.15268 0.07008 0.12139 0.10932
207 2S 1.37664 -0.29107 -0.96485 -1.67116 -1.47606
208 3S -3.30600 -2.38799 5.34743 9.26203 6.30110
209 4S -2.36726 -2.82063 3.22560 5.58691 2.11786
210 5S 0.13545 -0.00270 -0.04610 -0.07985 0.08024
211 6PX -0.57693 0.22692 0.10623 0.14732 0.09263
212 6PY -0.37492 0.13101 0.02466 0.10623 0.05348
213 6PZ -0.35399 0.35191 0.07659 0.13265 0.09110
214 7PX 1.08488 -0.37764 -0.40847 -0.59169 -0.59140
215 7PY 0.71093 -0.21803 -0.12003 -0.40847 -0.34144
216 7PZ 0.67777 -0.64850 -0.29709 -0.51457 -0.49730
217 8PX -1.98639 -0.54155 2.51881 4.12048 3.16894
218 8PY -1.43114 -0.31267 1.21201 2.51881 1.82959
219 8PZ -1.26586 0.26114 1.85316 3.20977 2.49774
220 9PX -1.06233 -0.95135 1.43782 2.16556 1.34570
221 9PY -0.64801 -0.54926 0.50530 1.43782 0.77694
222 9PZ -0.67436 -0.29529 1.06457 1.84389 0.94314
223 10D 0 -0.02448 -0.04987 -0.00634 -0.01098 0.02694
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225 10D-1 0.12111 -0.05231 -0.04605 -0.13109 -0.10026
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Alpha Density Matrix:
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3 3S 0.16984 -0.22259 0.39939
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Beta Density Matrix:
1 2 3 4 5
1 1 P 1S 1.07765
2 2S -0.10177 0.13037
3 3S 0.16984 -0.22259 0.39939
4 4S -0.05555 0.07186 -0.13499 0.04749
5 5S 0.02315 -0.03239 0.10325 -0.04847 0.12735
6 6S 0.03653 -0.05322 0.16240 -0.07430 0.18944
7 7S 0.01285 -0.01844 0.05757 -0.02575 0.06690
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73 21G-3 0.00005 -0.00014 0.00037 -0.00017 0.00039
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98 3S 0.00350 -0.00477 0.01441 -0.00737 0.01855
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100 5S -0.00038 0.00054 -0.00187 0.00072 -0.00204
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112 9PZ 0.00032 -0.00041 0.00144 -0.00070 0.00196
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116 10D+2 -0.00001 0.00001 -0.00003 0.00001 -0.00002
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118 11D 0 0.00001 -0.00002 0.00006 -0.00002 0.00005
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120 11D-1 -0.00002 0.00003 -0.00015 0.00009 -0.00028
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122 11D-2 0.00000 0.00000 0.00000 0.00000 0.00000
123 12D 0 0.00002 -0.00005 0.00016 -0.00006 0.00015
124 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
125 12D-1 -0.00001 0.00002 -0.00020 0.00012 -0.00043
126 12D+2 0.00002 -0.00004 0.00002 0.00002 -0.00014
127 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000
128 13F 0 0.00000 0.00000 0.00000 0.00000 -0.00001
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135 14F 0 0.00002 -0.00002 0.00004 -0.00001 0.00000
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137 14F-1 0.00001 -0.00001 0.00000 0.00000 -0.00002
138 14F+2 0.00003 -0.00003 0.00005 -0.00001 -0.00002
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 -0.00002 0.00003 -0.00005 0.00002 -0.00001
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146 15G-2 0.00000 0.00000 0.00000 0.00000 0.00000
147 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
148 15G-3 0.00000 0.00001 -0.00001 0.00000 0.00000
149 15G+4 0.00000 0.00000 -0.00001 0.00000 0.00000
150 15G-4 0.00000 0.00000 0.00000 0.00000 0.00000
151 3 H 1S 0.00076 -0.00108 0.00318 -0.00159 0.00394
152 2S 0.00178 -0.00255 0.00733 -0.00364 0.00885
153 3S 0.00350 -0.00477 0.01441 -0.00737 0.01855
154 4S 0.00138 -0.00165 0.00477 -0.00297 0.00721
155 5S -0.00038 0.00054 -0.00187 0.00072 -0.00204
156 6PX -0.00002 0.00003 -0.00009 0.00005 -0.00012
157 6PY 0.00001 -0.00002 0.00005 -0.00003 0.00007
158 6PZ 0.00002 -0.00004 0.00012 -0.00006 0.00015
159 7PX -0.00011 0.00016 -0.00045 0.00021 -0.00048
160 7PY 0.00007 -0.00009 0.00026 -0.00012 0.00028
161 7PZ 0.00012 -0.00017 0.00049 -0.00022 0.00054
162 8PX -0.00030 0.00037 -0.00134 0.00073 -0.00206
163 8PY 0.00017 -0.00021 0.00078 -0.00042 0.00119
164 8PZ 0.00041 -0.00056 0.00194 -0.00094 0.00259
165 9PX -0.00012 0.00006 -0.00037 0.00027 -0.00084
166 9PY 0.00007 -0.00003 0.00021 -0.00016 0.00049
167 9PZ 0.00032 -0.00041 0.00144 -0.00070 0.00196
168 10D 0 0.00000 0.00000 0.00001 0.00000 0.00001
169 10D+1 -0.00001 0.00002 -0.00005 0.00002 -0.00004
170 10D-1 0.00001 -0.00001 0.00003 -0.00001 0.00002
171 10D+2 0.00000 -0.00001 0.00002 -0.00001 0.00001
172 10D-2 -0.00001 0.00001 -0.00003 0.00001 -0.00002
173 11D 0 0.00001 -0.00002 0.00006 -0.00002 0.00005
174 11D+1 -0.00002 0.00002 -0.00013 0.00007 -0.00024
175 11D-1 0.00001 -0.00001 0.00008 -0.00004 0.00014
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Full Mulliken population analysis:
1 2 3 4 5
1 1 P 1S 2.15531
2 2S -0.03337 0.26073
3 3S -0.11089 0.41043 0.79878
4 4S -0.02099 0.10316 0.24168 0.09498
5 5S 0.00458 -0.02861 -0.12821 -0.08338 0.25470
6 6S 0.00398 -0.02763 -0.12580 -0.08999 0.33548
7 7S 0.00075 -0.00529 -0.02538 -0.01897 0.08398
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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
236 237 238 239 240
236 12D+2 0.00001
237 12D-2 0.00000 0.00001
238 13F 0 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 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 0.00000 0.00000 0.00000 0.00000
246 14F+1 0.00000 0.00000 0.00000 0.00000 0.00000
247 14F-1 0.00000 0.00000 0.00000 0.00000 0.00000
248 14F+2 0.00000 0.00000 0.00000 0.00000 0.00000
249 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
250 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
251 14F-3 0.00000 0.00000 0.00000 0.00000 0.00000
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
241 242 243 244 245
241 13F+2 0.00000
242 13F-2 0.00000 0.00000
243 13F+3 0.00000 0.00000 0.00000
244 13F-3 0.00000 0.00000 0.00000 0.00000
245 14F 0 0.00000 0.00000 0.00000 0.00000 0.00000
246 14F+1 0.00000 0.00000 0.00000 0.00000 0.00000
247 14F-1 0.00000 0.00000 0.00000 0.00000 0.00000
248 14F+2 0.00000 0.00000 0.00000 0.00000 0.00000
249 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
250 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
251 14F-3 0.00000 0.00000 0.00000 0.00000 0.00000
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
246 247 248 249 250
246 14F+1 0.00000
247 14F-1 0.00000 0.00000
248 14F+2 0.00000 0.00000 0.00000
249 14F-2 0.00000 0.00000 0.00000 0.00000
250 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
251 14F-3 0.00000 0.00000 0.00000 0.00000 0.00000
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 P 1S 1.99960 0.99980 0.99980 0.00000
2 2S 0.67797 0.33899 0.33899 0.00000
3 3S 1.05278 0.52639 0.52639 0.00000
4 4S 0.21742 0.10871 0.10871 0.00000
5 5S 0.48772 0.24386 0.24386 0.00000
6 6S 0.91555 0.45778 0.45778 0.00000
7 7S 0.26316 0.13158 0.13158 0.00000
8 8PX 0.95822 0.47911 0.47911 0.00000
9 8PY 0.95822 0.47911 0.47911 0.00000
10 8PZ 0.96715 0.48357 0.48357 0.00000
11 9PX 0.91746 0.45873 0.45873 0.00000
12 9PY 0.91746 0.45873 0.45873 0.00000
13 9PZ 0.91511 0.45755 0.45755 0.00000
14 10PX 0.15520 0.07760 0.07760 0.00000
15 10PY 0.15520 0.07760 0.07760 0.00000
16 10PZ 0.16691 0.08345 0.08345 0.00000
17 11PX 0.32092 0.16046 0.16046 0.00000
18 11PY 0.32092 0.16046 0.16046 0.00000
19 11PZ 0.45355 0.22677 0.22677 0.00000
20 12PX 0.43254 0.21627 0.21627 0.00000
21 12PY 0.43254 0.21627 0.21627 0.00000
22 12PZ 0.63839 0.31920 0.31920 0.00000
23 13PX 0.06371 0.03185 0.03185 0.00000
24 13PY 0.06371 0.03185 0.03185 0.00000
25 13PZ 0.25473 0.12737 0.12737 0.00000
26 14D 0 -0.00008 -0.00004 -0.00004 0.00000
27 14D+1 0.02595 0.01297 0.01297 0.00000
28 14D-1 0.02595 0.01297 0.01297 0.00000
29 14D+2 0.01585 0.00793 0.00793 0.00000
30 14D-2 0.01585 0.00793 0.00793 0.00000
31 15D 0 0.00009 0.00004 0.00004 0.00000
32 15D+1 0.03252 0.01626 0.01626 0.00000
33 15D-1 0.03252 0.01626 0.01626 0.00000
34 15D+2 0.01938 0.00969 0.00969 0.00000
35 15D-2 0.01938 0.00969 0.00969 0.00000
36 16D 0 0.00001 0.00000 0.00000 0.00000
37 16D+1 0.00475 0.00238 0.00238 0.00000
38 16D-1 0.00475 0.00238 0.00238 0.00000
39 16D+2 0.00270 0.00135 0.00135 0.00000
40 16D-2 0.00270 0.00135 0.00135 0.00000
41 17D 0 0.00001 0.00000 0.00000 0.00000
42 17D+1 0.00090 0.00045 0.00045 0.00000
43 17D-1 0.00090 0.00045 0.00045 0.00000
44 17D+2 0.00053 0.00026 0.00026 0.00000
45 17D-2 0.00053 0.00026 0.00026 0.00000
46 18F 0 0.00115 0.00058 0.00058 0.00000
47 18F+1 0.00026 0.00013 0.00013 0.00000
48 18F-1 0.00026 0.00013 0.00013 0.00000
49 18F+2 0.00269 0.00134 0.00134 0.00000
50 18F-2 0.00269 0.00134 0.00134 0.00000
51 18F+3 0.00000 0.00000 0.00000 0.00000
52 18F-3 0.00078 0.00039 0.00039 0.00000
53 19F 0 0.00081 0.00041 0.00041 0.00000
54 19F+1 0.00022 0.00011 0.00011 0.00000
55 19F-1 0.00022 0.00011 0.00011 0.00000
56 19F+2 0.00291 0.00146 0.00146 0.00000
57 19F-2 0.00291 0.00146 0.00146 0.00000
58 19F+3 0.00000 0.00000 0.00000 0.00000
59 19F-3 0.00073 0.00036 0.00036 0.00000
60 20F 0 0.00035 0.00018 0.00018 0.00000
61 20F+1 0.00004 0.00002 0.00002 0.00000
62 20F-1 0.00004 0.00002 0.00002 0.00000
63 20F+2 0.00046 0.00023 0.00023 0.00000
64 20F-2 0.00046 0.00023 0.00023 0.00000
65 20F+3 0.00000 0.00000 0.00000 0.00000
66 20F-3 0.00038 0.00019 0.00019 0.00000
67 21G 0 0.00007 0.00004 0.00004 0.00000
68 21G+1 0.00014 0.00007 0.00007 0.00000
69 21G-1 0.00014 0.00007 0.00007 0.00000
70 21G+2 0.00026 0.00013 0.00013 0.00000
71 21G-2 0.00026 0.00013 0.00013 0.00000
72 21G+3 0.00000 0.00000 0.00000 0.00000
73 21G-3 0.00011 0.00006 0.00006 0.00000
74 21G+4 0.00010 0.00005 0.00005 0.00000
75 21G-4 0.00010 0.00005 0.00005 0.00000
76 22G 0 0.00005 0.00003 0.00003 0.00000
77 22G+1 0.00003 0.00001 0.00001 0.00000
78 22G-1 0.00003 0.00001 0.00001 0.00000
79 22G+2 0.00003 0.00002 0.00002 0.00000
80 22G-2 0.00003 0.00002 0.00002 0.00000
81 22G+3 0.00000 0.00000 0.00000 0.00000
82 22G-3 0.00018 0.00009 0.00009 0.00000
83 22G+4 0.00003 0.00001 0.00001 0.00000
84 22G-4 0.00003 0.00001 0.00001 0.00000
85 23H 0 0.00000 0.00000 0.00000 0.00000
86 23H+1 0.00005 0.00002 0.00002 0.00000
87 23H-1 0.00005 0.00002 0.00002 0.00000
88 23H+2 0.00000 0.00000 0.00000 0.00000
89 23H-2 0.00000 0.00000 0.00000 0.00000
90 23H+3 0.00000 0.00000 0.00000 0.00000
91 23H-3 0.00006 0.00003 0.00003 0.00000
92 23H+4 0.00006 0.00003 0.00003 0.00000
93 23H-4 0.00006 0.00003 0.00003 0.00000
94 23H+5 0.00001 0.00001 0.00001 0.00000
95 23H-5 0.00001 0.00001 0.00001 0.00000
96 2 H 1S 0.03249 0.01625 0.01625 0.00000
97 2S 0.13749 0.06874 0.06874 0.00000
98 3S 0.38021 0.19011 0.19011 0.00000
99 4S 0.37066 0.18533 0.18533 0.00000
100 5S 0.06372 0.03186 0.03186 0.00000
101 6PX 0.00001 0.00001 0.00001 0.00000
102 6PY 0.00009 0.00004 0.00004 0.00000
103 6PZ 0.00006 0.00003 0.00003 0.00000
104 7PX 0.00009 0.00004 0.00004 0.00000
105 7PY 0.00071 0.00035 0.00035 0.00000
106 7PZ 0.00046 0.00023 0.00023 0.00000
107 8PX 0.00156 0.00078 0.00078 0.00000
108 8PY 0.00788 0.00394 0.00394 0.00000
109 8PZ 0.00513 0.00257 0.00257 0.00000
110 9PX 0.00464 0.00232 0.00232 0.00000
111 9PY 0.00687 0.00343 0.00343 0.00000
112 9PZ 0.00746 0.00373 0.00373 0.00000
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 0.00001 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 0.00008 0.00004 0.00004 0.00000
119 11D+1 0.00001 0.00000 0.00000 0.00000
120 11D-1 0.00022 0.00011 0.00011 0.00000
121 11D+2 0.00013 0.00007 0.00007 0.00000
122 11D-2 0.00009 0.00004 0.00004 0.00000
123 12D 0 0.00053 0.00027 0.00027 0.00000
124 12D+1 0.00011 0.00006 0.00006 0.00000
125 12D-1 0.00081 0.00041 0.00041 0.00000
126 12D+2 0.00039 0.00020 0.00020 0.00000
127 12D-2 0.00093 0.00047 0.00047 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 0.00001 0.00001 0.00001 0.00000
136 14F+1 0.00000 0.00000 0.00000 0.00000
137 14F-1 0.00007 0.00003 0.00003 0.00000
138 14F+2 0.00007 0.00003 0.00003 0.00000
139 14F-2 0.00002 0.00001 0.00001 0.00000
140 14F+3 0.00007 0.00003 0.00003 0.00000
141 14F-3 0.00001 0.00001 0.00001 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 0.03249 0.01625 0.01625 0.00000
152 2S 0.13749 0.06874 0.06874 0.00000
153 3S 0.38021 0.19011 0.19011 0.00000
154 4S 0.37066 0.18533 0.18533 0.00000
155 5S 0.06372 0.03186 0.03186 0.00000
156 6PX 0.00007 0.00003 0.00003 0.00000
157 6PY 0.00003 0.00002 0.00002 0.00000
158 6PZ 0.00006 0.00003 0.00003 0.00000
159 7PX 0.00055 0.00028 0.00028 0.00000
160 7PY 0.00024 0.00012 0.00012 0.00000
161 7PZ 0.00046 0.00023 0.00023 0.00000
162 8PX 0.00630 0.00315 0.00315 0.00000
163 8PY 0.00314 0.00157 0.00157 0.00000
164 8PZ 0.00513 0.00257 0.00257 0.00000
165 9PX 0.00631 0.00316 0.00316 0.00000
166 9PY 0.00520 0.00260 0.00260 0.00000
167 9PZ 0.00746 0.00373 0.00373 0.00000
168 10D 0 0.00000 0.00000 0.00000 0.00000
169 10D+1 0.00001 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 0.00008 0.00004 0.00004 0.00000
174 11D+1 0.00017 0.00008 0.00008 0.00000
175 11D-1 0.00006 0.00003 0.00003 0.00000
176 11D+2 0.00010 0.00005 0.00005 0.00000
177 11D-2 0.00012 0.00006 0.00006 0.00000
178 12D 0 0.00053 0.00027 0.00027 0.00000
179 12D+1 0.00064 0.00032 0.00032 0.00000
180 12D-1 0.00029 0.00014 0.00014 0.00000
181 12D+2 0.00080 0.00040 0.00040 0.00000
182 12D-2 0.00053 0.00026 0.00026 0.00000
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 0.00001 0.00001 0.00001 0.00000
191 14F+1 0.00005 0.00003 0.00003 0.00000
192 14F-1 0.00002 0.00001 0.00001 0.00000
193 14F+2 0.00003 0.00002 0.00002 0.00000
194 14F-2 0.00006 0.00003 0.00003 0.00000
195 14F+3 0.00007 0.00003 0.00003 0.00000
196 14F-3 0.00001 0.00001 0.00001 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 0.03249 0.01625 0.01625 0.00000
207 2S 0.13749 0.06874 0.06874 0.00000
208 3S 0.38021 0.19011 0.19011 0.00000
209 4S 0.37066 0.18533 0.18533 0.00000
210 5S 0.06372 0.03186 0.03186 0.00000
211 6PX 0.00007 0.00003 0.00003 0.00000
212 6PY 0.00003 0.00002 0.00002 0.00000
213 6PZ 0.00006 0.00003 0.00003 0.00000
214 7PX 0.00055 0.00028 0.00028 0.00000
215 7PY 0.00024 0.00012 0.00012 0.00000
216 7PZ 0.00046 0.00023 0.00023 0.00000
217 8PX 0.00630 0.00315 0.00315 0.00000
218 8PY 0.00314 0.00157 0.00157 0.00000
219 8PZ 0.00513 0.00257 0.00257 0.00000
220 9PX 0.00631 0.00316 0.00316 0.00000
221 9PY 0.00520 0.00260 0.00260 0.00000
222 9PZ 0.00746 0.00373 0.00373 0.00000
223 10D 0 0.00000 0.00000 0.00000 0.00000
224 10D+1 0.00001 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 0.00008 0.00004 0.00004 0.00000
229 11D+1 0.00017 0.00008 0.00008 0.00000
230 11D-1 0.00006 0.00003 0.00003 0.00000
231 11D+2 0.00010 0.00005 0.00005 0.00000
232 11D-2 0.00012 0.00006 0.00006 0.00000
233 12D 0 0.00053 0.00027 0.00027 0.00000
234 12D+1 0.00064 0.00032 0.00032 0.00000
235 12D-1 0.00029 0.00014 0.00014 0.00000
236 12D+2 0.00080 0.00040 0.00040 0.00000
237 12D-2 0.00053 0.00026 0.00026 0.00000
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 0.00001 0.00001 0.00001 0.00000
246 14F+1 0.00005 0.00003 0.00003 0.00000
247 14F-1 0.00002 0.00001 0.00001 0.00000
248 14F+2 0.00003 0.00002 0.00002 0.00000
249 14F-2 0.00006 0.00003 0.00003 0.00000
250 14F+3 0.00007 0.00003 0.00003 0.00000
251 14F-3 0.00001 0.00001 0.00001 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 P 13.814538 0.372021 0.372021 0.372021
2 H 0.372021 0.679557 -0.014222 -0.014222
3 H 0.372021 -0.014222 0.679557 -0.014222
4 H 0.372021 -0.014222 -0.014222 0.679557
Atomic-Atomic Spin Densities.
1 2 3 4
1 P 0.000000 0.000000 0.000000 0.000000
2 H 0.000000 0.000000 0.000000 0.000000
3 H 0.000000 0.000000 0.000000 0.000000
4 H 0.000000 0.000000 0.000000 0.000000
Mulliken charges and spin densities:
1 2
1 P 0.069400 0.000000
2 H -0.023133 0.000000
3 H -0.023133 0.000000
4 H -0.023133 0.000000
Sum of Mulliken charges = 0.00000 0.00000
Mulliken charges and spin densities with hydrogens summed into heavy atoms:
1 2
1 P 0.000000 0.000000
Electronic spatial extent (au): <R**2>= 55.5601
Charge= 0.0000 electrons
Dipole moment (field-independent basis, Debye):
X= 0.0000 Y= 0.0000 Z= -0.6544 Tot= 0.6544
Quadrupole moment (field-independent basis, Debye-Ang):
XX= -14.8776 YY= -14.8776 ZZ= -17.2719
XY= 0.0000 XZ= 0.0000 YZ= 0.0000
Traceless Quadrupole moment (field-independent basis, Debye-Ang):
XX= 0.7981 YY= 0.7981 ZZ= -1.5962
XY= 0.0000 XZ= 0.0000 YZ= 0.0000
Octapole moment (field-independent basis, Debye-Ang**2):
XXX= 0.0000 YYY= -0.1630 ZZZ= -1.7559 XYY= 0.0000
XXY= 0.1630 XXZ= -0.2036 XZZ= 0.0000 YZZ= 0.0000
YYZ= -0.2036 XYZ= 0.0000
Hexadecapole moment (field-independent basis, Debye-Ang**3):
XXXX= -31.4072 YYYY= -31.4072 ZZZZ= -37.0085 XXXY= 0.0000
XXXZ= 0.0000 YYYX= 0.0000 YYYZ= -0.5918 ZZZX= 0.0000
ZZZY= 0.0000 XXYY= -10.4691 XXZZ= -10.9515 YYZZ= -10.9515
XXYZ= 0.5918 YYXZ= 0.0000 ZZXY= 0.0000
N-N= 1.751352843320D+01 E-N=-8.507452377141D+02 KE= 3.424444969858D+02
Symmetry A' KE= 3.108727339760D+02
Symmetry A" KE= 3.157176300978D+01
Orbital energies and kinetic energies (alpha):
1 2
1 (A1)--O -79.944818 106.214682
2 (A1)--O -7.487443 15.856683
3 (E)--O -5.381116 14.766403
4 (E)--O -5.381116 14.766403
5 (A1)--O -5.380386 14.796253
6 (A1)--O -0.853105 1.452479
7 (E)--O -0.520031 1.019479
8 (E)--O -0.520031 1.019479
9 (A1)--O -0.389050 1.330388
10 (A1)--V 0.088770 0.334622
11 (E)--V 0.130688 0.490885
12 (E)--V 0.130688 0.490885
13 (E)--V 0.162877 0.292432
14 (E)--V 0.162877 0.292432
15 (A1)--V 0.217672 0.503612
16 (A1)--V 0.320620 0.595282
17 (E)--V 0.325738 0.637160
18 (E)--V 0.325738 0.637160
19 (E)--V 0.341633 0.939975
20 (E)--V 0.341633 0.939975
21 (A1)--V 0.364258 0.816704
22 (A1)--V 0.414343 1.073500
23 (E)--V 0.512111 0.775655
24 (E)--V 0.512111 0.775655
25 (A2)--V 0.638997 0.744004
26 (E)--V 0.650788 0.737085
27 (E)--V 0.650788 0.737085
28 (E)--V 0.688483 0.963875
29 (E)--V 0.688483 0.963875
30 (A1)--V 0.766673 0.930958
31 (A1)--V 0.810417 1.033662
32 (A1)--V 0.835251 1.270194
33 (E)--V 0.910396 1.073011
34 (E)--V 0.910396 1.073011
35 (A2)--V 0.942391 1.010229
36 (E)--V 0.942680 1.426882
37 (E)--V 0.942680 1.426882
38 (A1)--V 0.970670 1.440937
39 (E)--V 0.987625 1.509473
40 (E)--V 0.987625 1.509473
41 (A1)--V 1.010548 1.856546
42 (E)--V 1.047064 1.439035
43 (E)--V 1.047064 1.439035
44 (A1)--V 1.059586 1.975031
45 (E)--V 1.081672 1.350426
46 (E)--V 1.081672 1.350426
47 (A1)--V 1.113018 1.884243
48 (E)--V 1.150506 2.270521
49 (E)--V 1.150506 2.270521
50 (E)--V 1.535035 2.075627
51 (E)--V 1.535035 2.075627
52 (E)--V 1.669227 1.841007
53 (E)--V 1.669227 1.841007
54 (A2)--V 1.683786 1.979473
55 (E)--V 1.726561 2.068586
56 (E)--V 1.726561 2.068586
57 (A1)--V 1.787228 2.862567
58 (A1)--V 1.819663 2.050195
59 (E)--V 1.866166 2.136047
60 (E)--V 1.866166 2.136047
61 (A2)--V 1.915074 2.028575
62 (E)--V 1.937463 2.388900
63 (E)--V 1.937463 2.388900
64 (A1)--V 1.944672 2.228900
65 (A1)--V 2.038686 2.391308
66 (A2)--V 2.099611 2.353632
67 (E)--V 2.101414 2.409396
68 (E)--V 2.101414 2.409396
69 (A1)--V 2.153296 2.591919
70 (E)--V 2.187365 2.500907
71 (E)--V 2.187365 2.500907
72 (E)--V 2.235024 2.480192
73 (E)--V 2.235024 2.480192
74 (E)--V 2.242387 2.783028
75 (E)--V 2.242387 2.783028
76 (A1)--V 2.322744 3.013756
77 (E)--V 2.356952 2.546648
78 (E)--V 2.356952 2.546648
79 (A2)--V 2.402231 2.556526
80 (A1)--V 2.414454 3.124971
81 (E)--V 2.421235 3.324338
82 (E)--V 2.421235 3.324338
83 (A1)--V 2.482952 3.171506
84 (E)--V 2.533634 2.822673
85 (E)--V 2.533634 2.822673
86 (A1)--V 2.535630 3.187740
87 (A1)--V 2.661574 4.035830
88 (E)--V 2.685108 4.263712
89 (E)--V 2.685108 4.263712
90 (E)--V 2.998454 3.542093
91 (E)--V 2.998454 3.542093
92 (A2)--V 3.145629 3.426739
93 (E)--V 3.375698 4.406973
94 (E)--V 3.375698 4.406973
95 (A1)--V 3.465571 4.573378
96 (E)--V 3.492747 5.298694
97 (E)--V 3.492747 5.298694
98 (A1)--V 3.524145 4.987901
99 (E)--V 3.605489 4.605767
100 (E)--V 3.605489 4.605767
101 (E)--V 3.846137 4.501826
102 (E)--V 3.846137 4.501826
103 (A2)--V 3.875059 4.043178
104 (A1)--V 3.880448 4.488537
105 (E)--V 3.891714 4.344985
106 (E)--V 3.891714 4.344985
107 (A2)--V 4.028994 4.582728
108 (E)--V 4.127340 4.381036
109 (E)--V 4.127340 4.381036
110 (E)--V 4.186863 4.804203
111 (E)--V 4.186863 4.804203
112 (A1)--V 4.366290 6.006872
113 (E)--V 4.416010 4.952589
114 (E)--V 4.416010 4.952589
115 (A1)--V 4.443961 5.639635
116 (A2)--V 4.539716 4.863701
117 (E)--V 4.554155 5.284359
118 (E)--V 4.554155 5.284359
119 (A1)--V 4.640183 5.709764
120 (A1)--V 4.709424 7.107574
121 (E)--V 4.714788 5.526539
122 (E)--V 4.714788 5.526539
123 (A2)--V 4.848039 5.831848
124 (E)--V 4.904870 5.622054
125 (E)--V 4.904870 5.622054
126 (A1)--V 4.929802 6.302885
127 (E)--V 4.951302 5.671486
128 (E)--V 4.951302 5.671486
129 (E)--V 5.013545 5.668687
130 (E)--V 5.013545 5.668687
131 (A1)--V 5.062882 5.683990
132 (E)--V 5.097434 5.407946
133 (E)--V 5.097434 5.407946
134 (E)--V 5.101851 5.856554
135 (E)--V 5.101851 5.856554
136 (A1)--V 5.136260 6.446207
137 (A2)--V 5.204078 5.514312
138 (E)--V 5.209426 6.445961
139 (E)--V 5.209426 6.445961
140 (A1)--V 5.276998 5.878329
141 (E)--V 5.322487 5.740005
142 (E)--V 5.322487 5.740005
143 (A1)--V 5.332453 6.490446
144 (E)--V 5.354605 6.142266
145 (E)--V 5.354605 6.142266
146 (A1)--V 5.427653 6.531601
147 (E)--V 5.429245 6.947586
148 (E)--V 5.429245 6.947586
149 (A1)--V 5.468632 8.520724
150 (A2)--V 5.502106 5.801169
151 (E)--V 5.583571 6.003741
152 (E)--V 5.583571 6.003741
153 (A1)--V 5.683010 6.808294
154 (E)--V 5.780195 6.402714
155 (E)--V 5.780195 6.402714
156 (E)--V 5.812402 6.260767
157 (E)--V 5.812402 6.260767
158 (A2)--V 5.934942 6.535481
159 (A1)--V 6.117349 6.619967
160 (E)--V 6.324874 6.883317
161 (E)--V 6.324874 6.883317
162 (A2)--V 6.465671 6.955971
163 (E)--V 6.469692 7.016154
164 (E)--V 6.469692 7.016154
165 (E)--V 7.043849 8.113139
166 (E)--V 7.043849 8.113139
167 (A1)--V 7.212627 8.506708
168 (E)--V 7.282162 8.547048
169 (E)--V 7.282162 8.547048
170 (A1)--V 7.384588 9.021971
171 (E)--V 7.414105 9.901312
172 (E)--V 7.414105 9.901312
173 (A2)--V 7.429563 8.062875
174 (E)--V 7.710022 9.659166
175 (E)--V 7.710022 9.659166
176 (A1)--V 8.189559 12.260924
177 (E)--V 8.276215 12.040230
178 (E)--V 8.276215 12.040230
179 (A1)--V 8.911607 14.090786
180 (E)--V 9.339973 12.374526
181 (E)--V 9.339973 12.374526
182 (A2)--V 12.604572 12.969099
183 (E)--V 12.614240 13.004460
184 (E)--V 12.614240 13.004460
185 (E)--V 12.619574 13.026007
186 (E)--V 12.619574 13.026007
187 (A1)--V 12.626889 13.072592
188 (A1)--V 12.651239 13.093294
189 (E)--V 12.661928 13.049208
190 (E)--V 12.661928 13.049208
191 (A2)--V 12.665585 13.023586
192 (E)--V 12.686560 13.023885
193 (E)--V 12.686560 13.023885
194 (A1)--V 12.686678 13.026170
195 (A2)--V 12.712556 13.076412
196 (E)--V 12.721504 13.170094
197 (E)--V 12.721504 13.170094
198 (E)--V 12.745445 13.166566
199 (E)--V 12.745445 13.166566
200 (E)--V 12.778858 13.270581
201 (E)--V 12.778858 13.270581
202 (A2)--V 12.808990 13.265612
203 (A1)--V 12.834698 13.403205
204 (E)--V 12.880197 13.419953
205 (E)--V 12.880197 13.419953
206 (E)--V 12.912581 13.487837
207 (E)--V 12.912581 13.487837
208 (A1)--V 13.024154 13.454950
209 (E)--V 13.025395 13.551879
210 (E)--V 13.025395 13.551879
211 (A2)--V 13.055101 13.585761
212 (E)--V 13.121488 13.694574
213 (E)--V 13.121488 13.694574
214 (A1)--V 13.171123 13.966925
215 (E)--V 13.464920 14.746882
216 (E)--V 13.464920 14.746882
217 (A2)--V 13.508228 13.922819
218 (A1)--V 13.667938 14.441143
219 (E)--V 13.686738 14.077911
220 (E)--V 13.686738 14.077911
221 (A1)--V 13.770816 14.648177
222 (E)--V 13.837416 14.487722
223 (E)--V 13.837416 14.487722
224 (E)--V 13.915000 14.574062
225 (E)--V 13.915000 14.574062
226 (A2)--V 13.918410 14.482539
227 (E)--V 13.945618 14.531339
228 (E)--V 13.945618 14.531339
229 (A1)--V 13.951811 14.628456
230 (A1)--V 14.074419 15.008535
231 (E)--V 14.080490 14.862842
232 (E)--V 14.080490 14.862842
233 (A1)--V 14.155311 16.120266
234 (A2)--V 14.199336 14.744357
235 (E)--V 14.203560 15.032682
236 (E)--V 14.203560 15.032682
237 (E)--V 14.283304 16.033305
238 (E)--V 14.283304 16.033305
239 (E)--V 14.654089 15.443050
240 (E)--V 14.654089 15.443050
241 (A1)--V 14.686762 15.549241
242 (E)--V 14.931215 15.743171
243 (E)--V 14.931215 15.743171
244 (A2)--V 14.950219 15.676396
245 (E)--V 15.877334 17.099483
246 (E)--V 15.877334 17.099483
247 (A1)--V 15.902373 17.410637
248 (A1)--V 17.405412 19.709238
249 (E)--V 17.422155 18.796354
250 (E)--V 17.422155 18.796354
251 (A2)--V 17.470517 18.809479
252 (E)--V 17.652177 18.986168
253 (E)--V 17.652177 18.986168
254 (A1)--V 18.467170 23.793035
255 (E)--V 18.709766 20.696281
256 (E)--V 18.709766 20.696281
257 (A1)--V 19.382344 45.088105
258 (E)--V 20.504028 51.040389
259 (E)--V 20.504028 51.040389
260 (A1)--V 61.097076 102.880144
Total kinetic energy from orbitals= 3.424444969858D+02
Isotropic Fermi Contact Couplings
Atom a.u. MegaHertz Gauss 10(-4) cm-1
1 P(31) 0.00000 0.00000 0.00000 0.00000
2 H(1) 0.00000 0.00000 0.00000 0.00000
3 H(1) 0.00000 0.00000 0.00000 0.00000
4 H(1) 0.00000 0.00000 0.00000 0.00000
--------------------------------------------------------
Center ---- Spin Dipole Couplings ----
3XX-RR 3YY-RR 3ZZ-RR
--------------------------------------------------------
1 Atom 0.000000 0.000000 0.000000
2 Atom 0.000000 0.000000 0.000000
3 Atom 0.000000 0.000000 0.000000
4 Atom 0.000000 0.000000 0.000000
--------------------------------------------------------
XY XZ YZ
--------------------------------------------------------
1 Atom 0.000000 0.000000 0.000000
2 Atom 0.000000 0.000000 0.000000
3 Atom 0.000000 0.000000 0.000000
4 Atom 0.000000 0.000000 0.000000
--------------------------------------------------------
---------------------------------------------------------------------------------
Anisotropic Spin Dipole Couplings in Principal Axis System
---------------------------------------------------------------------------------
Atom a.u. MegaHertz Gauss 10(-4) cm-1 Axes
Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000
1 P(31) Bbb 0.0000 0.000 0.000 0.000 0.0000 1.0000 0.0000
Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000
Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000
2 H(1) Bbb 0.0000 0.000 0.000 0.000 0.0000 1.0000 0.0000
Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000
Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000
3 H(1) Bbb 0.0000 0.000 0.000 0.000 0.0000 1.0000 0.0000
Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000
Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000
4 H(1) Bbb 0.0000 0.000 0.000 0.000 0.0000 1.0000 0.0000
Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000
---------------------------------------------------------------------------------
No NMR shielding tensors so no spin-rotation constants.
Leave Link 601 at Thu Apr 4 14:33:54 2019, MaxMem= 13421772800 cpu: 22.1
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l9999.exe)
1\1\GINC-COMPUTE-3-5\SP\ROCCSD(T)-FC\CC-pV5Z\H3P1\LOOS\04-Apr-2019\0\\
#p ROCCSD(T) cc-pV5Z pop=full gfprint\\G2\\0,1\P\X,1,1.\H,1,1.42205572
,2,122.9486097\H,1,1.42205572,2,122.9486097,3,120.,0\H,1,1.42205572,2,
122.9486097,3,-120.,0\\Version=ES64L-G09RevD.01\State=1-A1\HF=-342.493
9384\MP2=-342.6810273\MP3=-342.7025169\PUHF=-342.4939384\PMP2-0=-342.6
810273\MP4SDQ=-342.7049638\CCSD=-342.7052344\CCSD(T)=-342.713163\RMSD=
7.235e-09\PG=C03V [C3(P1),3SGV(H1)]\\@
LENDING MONEY TO FRIENDS CAUSES THEM TO LOSE THEIR MEMORIES.
-- PETER'S THEORY OF RECIPROCAL INHIBITION OF FISCAL RECALL
Job cpu time: 0 days 16 hours 50 minutes 46.1 seconds.
File lengths (MBytes): RWF= 2295 Int= 0 D2E= 0 Chk= 6 Scr= 1
Normal termination of Gaussian 09 at Thu Apr 4 14:33:54 2019.
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