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10382daca6
srDFT_G2/G09/Small_core/Molecules/avqz/C2H6.out
Pierre-Francois Loos 10382daca6 CVXZ
2019-04-09 14:00:19 +02:00

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Entering Gaussian System, Link 0=g09
Input=C2H6.inp
Output=C2H6.out
Initial command:
/share/apps/gaussian/g09d01/nehalem/g09/l1.exe "/mnt/beegfs/tmpdir/43354/Gau-8815.inp" -scrdir="/mnt/beegfs/tmpdir/43354/"
Entering Link 1 = /share/apps/gaussian/g09d01/nehalem/g09/l1.exe PID= 8816.
Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2013,
Gaussian, Inc. All Rights Reserved.
This is part of the Gaussian(R) 09 program. It is based on
the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
University), and the Gaussian 82(TM) system (copyright 1983,
Carnegie Mellon University). Gaussian is a federally registered
trademark of Gaussian, Inc.
This software contains proprietary and confidential information,
including trade secrets, belonging to Gaussian, Inc.
This software is provided under written license and may be
used, copied, transmitted, or stored only in accord with that
written license.
The following legend is applicable only to US Government
contracts under FAR:
RESTRICTED RIGHTS LEGEND
Use, reproduction and disclosure by the US Government is
subject to restrictions as set forth in subparagraphs (a)
and (c) of the Commercial Computer Software - Restricted
Rights clause in FAR 52.227-19.
Gaussian, Inc.
340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
---------------------------------------------------------------
Warning -- This program may not be used in any manner that
competes with the business of Gaussian, Inc. or will provide
assistance to any competitor of Gaussian, Inc. The licensee
of this program is prohibited from giving any competitor of
Gaussian, Inc. access to this program. By using this program,
the user acknowledges that Gaussian, Inc. is engaged in the
business of creating and licensing software in the field of
computational chemistry and represents and warrants to the
licensee that it is not a competitor of Gaussian, Inc. and that
it will not use this program in any manner prohibited above.
---------------------------------------------------------------
Cite this work as:
Gaussian 09, Revision D.01,
M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria,
M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci,
G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian,
A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada,
M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima,
Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery, Jr.,
J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers,
K. N. Kudin, V. N. Staroverov, T. Keith, R. Kobayashi, J. Normand,
K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi,
M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, J. B. Cross,
V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann,
O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski,
R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth,
P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels,
O. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski,
and D. J. Fox, Gaussian, Inc., Wallingford CT, 2013.
******************************************
Gaussian 09: ES64L-G09RevD.01 24-Apr-2013
5-Apr-2019
******************************************
-----------------------------------------------------------------
#p ROCCSD(T,FreezeInnerNobleGasCore) aug-cc-pVQZ pop=full gfprint
-----------------------------------------------------------------
1/38=1/1;
2/12=2,17=6,18=5,40=1/2;
3/5=16,6=2,7=10,11=2,16=1,24=100,25=1,30=1,116=101/1,2,3;
4//1;
5/5=2,38=5/2;
8/5=-1,6=4,9=120000,10=3/1,4;
9/5=7,14=2/13;
6/7=3/1;
99/5=1,9=1/99;
Leave Link 1 at Fri Apr 5 20:30:54 2019, MaxMem= 0 cpu: 0.0
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l101.exe)
--
G2
--
Symbolic Z-matrix:
Charge = 0 Multiplicity = 1
C
C 1 AA
H 1 AH 2 HAA
H 1 AH 2 HAA 3 120. 0
H 1 AH 2 HAA 3 -120. 0
H 2 AH 1 HAA 3 180. 0
H 2 AH 1 HAA 6 120. 0
H 2 AH 1 HAA 6 -120. 0
Variables:
AA 1.53004
AH 1.09485
HAA 111.37414
NAtoms= 8 NQM= 8 NQMF= 0 NMMI= 0 NMMIF= 0
NMic= 0 NMicF= 0.
Isotopes and Nuclear Properties:
(Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
in nuclear magnetons)
Atom 1 2 3 4 5 6 7 8
IAtWgt= 12 12 1 1 1 1 1 1
AtmWgt= 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250
NucSpn= 0 0 1 1 1 1 1 1
AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
NMagM= 0.0000000 0.0000000 2.7928460 2.7928460 2.7928460 2.7928460 2.7928460 2.7928460
AtZNuc= 6.0000000 6.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000
Leave Link 101 at Fri Apr 5 20:30:54 2019, MaxMem= 33554432 cpu: 0.0
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l202.exe)
Input orientation:
---------------------------------------------------------------------
Center Atomic Atomic Coordinates (Angstroms)
Number Number Type X Y Z
---------------------------------------------------------------------
1 6 0 0.000000 0.000000 0.000000
2 6 0 0.000000 0.000000 1.530036
3 1 0 1.019544 0.000000 -0.399024
4 1 0 -0.509772 -0.882951 -0.399024
5 1 0 -0.509772 0.882951 -0.399024
6 1 0 -1.019544 0.000000 1.929061
7 1 0 0.509772 -0.882951 1.929061
8 1 0 0.509772 0.882951 1.929061
---------------------------------------------------------------------
Distance matrix (angstroms):
1 2 3 4 5
1 C 0.000000
2 C 1.530036 0.000000
3 H 1.094847 2.181913 0.000000
4 H 1.094847 2.181913 1.765902 0.000000
5 H 1.094847 2.181913 1.765902 1.765902 0.000000
6 H 2.181913 1.094847 3.094812 2.541545 2.541545
7 H 2.181913 1.094847 2.541545 2.541545 3.094812
8 H 2.181913 1.094847 2.541545 3.094812 2.541545
6 7 8
6 H 0.000000
7 H 1.765902 0.000000
8 H 1.765902 1.765902 0.000000
Stoichiometry C2H6
Framework group D3D[C3(C.C),3SGD(H2)]
Deg. of freedom 3
Full point group D3D NOp 12
Largest Abelian subgroup C2H NOp 4
Largest concise Abelian subgroup C2H NOp 4
Standard orientation:
---------------------------------------------------------------------
Center Atomic Atomic Coordinates (Angstroms)
Number Number Type X Y Z
---------------------------------------------------------------------
1 6 0 0.000000 0.000000 0.765018
2 6 0 0.000000 0.000000 -0.765018
3 1 0 0.000000 1.019544 1.164042
4 1 0 -0.882951 -0.509772 1.164042
5 1 0 0.882951 -0.509772 1.164042
6 1 0 0.000000 -1.019544 -1.164042
7 1 0 -0.882951 0.509772 -1.164042
8 1 0 0.882951 0.509772 -1.164042
---------------------------------------------------------------------
Rotational constants (GHZ): 80.4023464 19.9105564 19.9105564
Leave Link 202 at Fri Apr 5 20:30:54 2019, MaxMem= 33554432 cpu: 0.0
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l301.exe)
Standard basis: Aug-CC-pVQZ (5D, 7F)
Ernie: Thresh= 0.10000D-02 Tol= 0.10000D-05 Strict=F.
Ernie: 6 primitive shells out of 172 were deleted.
AO basis set (Overlap normalization):
Atom C1 Shell 1 S 8 bf 1 - 1 0.000000000000 0.000000000000 1.445674818533
0.3398000000D+05 0.1468124114D-03
0.5089000000D+04 0.1116460016D-02
0.1157000000D+04 0.5890887108D-02
0.3266000000D+03 0.2421725547D-01
0.1061000000D+03 0.8317163879D-01
0.3811000000D+02 0.2205684777D+00
0.1475000000D+02 0.4287314969D+00
0.6035000000D+01 0.3643614225D+00
Atom C1 Shell 2 S 7 bf 2 - 2 0.000000000000 0.000000000000 1.445674818533
0.5089000000D+04 -0.1002265364D-04
0.3266000000D+03 -0.4365894368D-03
0.1061000000D+03 -0.1932312730D-02
0.3811000000D+02 -0.2148394772D-01
0.1475000000D+02 -0.9030916566D-01
0.6035000000D+01 -0.4187915117D+00
0.2530000000D+01 -0.5318019058D+00
Atom C1 Shell 3 S 1 bf 3 - 3 0.000000000000 0.000000000000 1.445674818533
0.7355000000D+00 0.1000000000D+01
Atom C1 Shell 4 S 1 bf 4 - 4 0.000000000000 0.000000000000 1.445674818533
0.2905000000D+00 0.1000000000D+01
Atom C1 Shell 5 S 1 bf 5 - 5 0.000000000000 0.000000000000 1.445674818533
0.1111000000D+00 0.1000000000D+01
Atom C1 Shell 6 S 1 bf 6 - 6 0.000000000000 0.000000000000 1.445674818533
0.4145000000D-01 0.1000000000D+01
Atom C1 Shell 7 P 3 bf 7 - 9 0.000000000000 0.000000000000 1.445674818533
0.3451000000D+02 0.3168785521D-01
0.7915000000D+01 0.2128943073D+00
0.2368000000D+01 0.8395867520D+00
Atom C1 Shell 8 P 1 bf 10 - 12 0.000000000000 0.000000000000 1.445674818533
0.8132000000D+00 0.1000000000D+01
Atom C1 Shell 9 P 1 bf 13 - 15 0.000000000000 0.000000000000 1.445674818533
0.2890000000D+00 0.1000000000D+01
Atom C1 Shell 10 P 1 bf 16 - 18 0.000000000000 0.000000000000 1.445674818533
0.1007000000D+00 0.1000000000D+01
Atom C1 Shell 11 P 1 bf 19 - 21 0.000000000000 0.000000000000 1.445674818533
0.3218000000D-01 0.1000000000D+01
Atom C1 Shell 12 D 1 bf 22 - 26 0.000000000000 0.000000000000 1.445674818533
0.1848000000D+01 0.1000000000D+01
Atom C1 Shell 13 D 1 bf 27 - 31 0.000000000000 0.000000000000 1.445674818533
0.6490000000D+00 0.1000000000D+01
Atom C1 Shell 14 D 1 bf 32 - 36 0.000000000000 0.000000000000 1.445674818533
0.2280000000D+00 0.1000000000D+01
Atom C1 Shell 15 D 1 bf 37 - 41 0.000000000000 0.000000000000 1.445674818533
0.7660000000D-01 0.1000000000D+01
Atom C1 Shell 16 F 1 bf 42 - 48 0.000000000000 0.000000000000 1.445674818533
0.1419000000D+01 0.1000000000D+01
Atom C1 Shell 17 F 1 bf 49 - 55 0.000000000000 0.000000000000 1.445674818533
0.4850000000D+00 0.1000000000D+01
Atom C1 Shell 18 F 1 bf 56 - 62 0.000000000000 0.000000000000 1.445674818533
0.1870000000D+00 0.1000000000D+01
Atom C1 Shell 19 G 1 bf 63 - 71 0.000000000000 0.000000000000 1.445674818533
0.1011000000D+01 0.1000000000D+01
Atom C1 Shell 20 G 1 bf 72 - 80 0.000000000000 0.000000000000 1.445674818533
0.4240000000D+00 0.1000000000D+01
Atom C2 Shell 21 S 8 bf 81 - 81 0.000000000000 0.000000000000 -1.445674818533
0.3398000000D+05 0.1468124114D-03
0.5089000000D+04 0.1116460016D-02
0.1157000000D+04 0.5890887108D-02
0.3266000000D+03 0.2421725547D-01
0.1061000000D+03 0.8317163879D-01
0.3811000000D+02 0.2205684777D+00
0.1475000000D+02 0.4287314969D+00
0.6035000000D+01 0.3643614225D+00
Atom C2 Shell 22 S 7 bf 82 - 82 0.000000000000 0.000000000000 -1.445674818533
0.5089000000D+04 -0.1002265364D-04
0.3266000000D+03 -0.4365894368D-03
0.1061000000D+03 -0.1932312730D-02
0.3811000000D+02 -0.2148394772D-01
0.1475000000D+02 -0.9030916566D-01
0.6035000000D+01 -0.4187915117D+00
0.2530000000D+01 -0.5318019058D+00
Atom C2 Shell 23 S 1 bf 83 - 83 0.000000000000 0.000000000000 -1.445674818533
0.7355000000D+00 0.1000000000D+01
Atom C2 Shell 24 S 1 bf 84 - 84 0.000000000000 0.000000000000 -1.445674818533
0.2905000000D+00 0.1000000000D+01
Atom C2 Shell 25 S 1 bf 85 - 85 0.000000000000 0.000000000000 -1.445674818533
0.1111000000D+00 0.1000000000D+01
Atom C2 Shell 26 S 1 bf 86 - 86 0.000000000000 0.000000000000 -1.445674818533
0.4145000000D-01 0.1000000000D+01
Atom C2 Shell 27 P 3 bf 87 - 89 0.000000000000 0.000000000000 -1.445674818533
0.3451000000D+02 0.3168785521D-01
0.7915000000D+01 0.2128943073D+00
0.2368000000D+01 0.8395867520D+00
Atom C2 Shell 28 P 1 bf 90 - 92 0.000000000000 0.000000000000 -1.445674818533
0.8132000000D+00 0.1000000000D+01
Atom C2 Shell 29 P 1 bf 93 - 95 0.000000000000 0.000000000000 -1.445674818533
0.2890000000D+00 0.1000000000D+01
Atom C2 Shell 30 P 1 bf 96 - 98 0.000000000000 0.000000000000 -1.445674818533
0.1007000000D+00 0.1000000000D+01
Atom C2 Shell 31 P 1 bf 99 - 101 0.000000000000 0.000000000000 -1.445674818533
0.3218000000D-01 0.1000000000D+01
Atom C2 Shell 32 D 1 bf 102 - 106 0.000000000000 0.000000000000 -1.445674818533
0.1848000000D+01 0.1000000000D+01
Atom C2 Shell 33 D 1 bf 107 - 111 0.000000000000 0.000000000000 -1.445674818533
0.6490000000D+00 0.1000000000D+01
Atom C2 Shell 34 D 1 bf 112 - 116 0.000000000000 0.000000000000 -1.445674818533
0.2280000000D+00 0.1000000000D+01
Atom C2 Shell 35 D 1 bf 117 - 121 0.000000000000 0.000000000000 -1.445674818533
0.7660000000D-01 0.1000000000D+01
Atom C2 Shell 36 F 1 bf 122 - 128 0.000000000000 0.000000000000 -1.445674818533
0.1419000000D+01 0.1000000000D+01
Atom C2 Shell 37 F 1 bf 129 - 135 0.000000000000 0.000000000000 -1.445674818533
0.4850000000D+00 0.1000000000D+01
Atom C2 Shell 38 F 1 bf 136 - 142 0.000000000000 0.000000000000 -1.445674818533
0.1870000000D+00 0.1000000000D+01
Atom C2 Shell 39 G 1 bf 143 - 151 0.000000000000 0.000000000000 -1.445674818533
0.1011000000D+01 0.1000000000D+01
Atom C2 Shell 40 G 1 bf 152 - 160 0.000000000000 0.000000000000 -1.445674818533
0.4240000000D+00 0.1000000000D+01
Atom H3 Shell 41 S 3 bf 161 - 161 0.000000000000 1.926659236075 2.199721355249
0.8264000000D+02 0.2295075779D-01
0.1241000000D+02 0.1755401181D+00
0.2824000000D+01 0.8647035510D+00
Atom H3 Shell 42 S 1 bf 162 - 162 0.000000000000 1.926659236075 2.199721355249
0.7977000000D+00 0.1000000000D+01
Atom H3 Shell 43 S 1 bf 163 - 163 0.000000000000 1.926659236075 2.199721355249
0.2581000000D+00 0.1000000000D+01
Atom H3 Shell 44 S 1 bf 164 - 164 0.000000000000 1.926659236075 2.199721355249
0.8989000000D-01 0.1000000000D+01
Atom H3 Shell 45 S 1 bf 165 - 165 0.000000000000 1.926659236075 2.199721355249
0.2363000000D-01 0.1000000000D+01
Atom H3 Shell 46 P 1 bf 166 - 168 0.000000000000 1.926659236075 2.199721355249
0.2292000000D+01 0.1000000000D+01
Atom H3 Shell 47 P 1 bf 169 - 171 0.000000000000 1.926659236075 2.199721355249
0.8380000000D+00 0.1000000000D+01
Atom H3 Shell 48 P 1 bf 172 - 174 0.000000000000 1.926659236075 2.199721355249
0.2920000000D+00 0.1000000000D+01
Atom H3 Shell 49 P 1 bf 175 - 177 0.000000000000 1.926659236075 2.199721355249
0.8480000000D-01 0.1000000000D+01
Atom H3 Shell 50 D 1 bf 178 - 182 0.000000000000 1.926659236075 2.199721355249
0.2062000000D+01 0.1000000000D+01
Atom H3 Shell 51 D 1 bf 183 - 187 0.000000000000 1.926659236075 2.199721355249
0.6620000000D+00 0.1000000000D+01
Atom H3 Shell 52 D 1 bf 188 - 192 0.000000000000 1.926659236075 2.199721355249
0.1900000000D+00 0.1000000000D+01
Atom H3 Shell 53 F 1 bf 193 - 199 0.000000000000 1.926659236075 2.199721355249
0.1397000000D+01 0.1000000000D+01
Atom H3 Shell 54 F 1 bf 200 - 206 0.000000000000 1.926659236075 2.199721355249
0.3600000000D+00 0.1000000000D+01
Atom H4 Shell 55 S 3 bf 207 - 207 -1.668535842877 -0.963329618038 2.199721355249
0.8264000000D+02 0.2295075779D-01
0.1241000000D+02 0.1755401181D+00
0.2824000000D+01 0.8647035510D+00
Atom H4 Shell 56 S 1 bf 208 - 208 -1.668535842877 -0.963329618038 2.199721355249
0.7977000000D+00 0.1000000000D+01
Atom H4 Shell 57 S 1 bf 209 - 209 -1.668535842877 -0.963329618038 2.199721355249
0.2581000000D+00 0.1000000000D+01
Atom H4 Shell 58 S 1 bf 210 - 210 -1.668535842877 -0.963329618038 2.199721355249
0.8989000000D-01 0.1000000000D+01
Atom H4 Shell 59 S 1 bf 211 - 211 -1.668535842877 -0.963329618038 2.199721355249
0.2363000000D-01 0.1000000000D+01
Atom H4 Shell 60 P 1 bf 212 - 214 -1.668535842877 -0.963329618038 2.199721355249
0.2292000000D+01 0.1000000000D+01
Atom H4 Shell 61 P 1 bf 215 - 217 -1.668535842877 -0.963329618038 2.199721355249
0.8380000000D+00 0.1000000000D+01
Atom H4 Shell 62 P 1 bf 218 - 220 -1.668535842877 -0.963329618038 2.199721355249
0.2920000000D+00 0.1000000000D+01
Atom H4 Shell 63 P 1 bf 221 - 223 -1.668535842877 -0.963329618038 2.199721355249
0.8480000000D-01 0.1000000000D+01
Atom H4 Shell 64 D 1 bf 224 - 228 -1.668535842877 -0.963329618038 2.199721355249
0.2062000000D+01 0.1000000000D+01
Atom H4 Shell 65 D 1 bf 229 - 233 -1.668535842877 -0.963329618038 2.199721355249
0.6620000000D+00 0.1000000000D+01
Atom H4 Shell 66 D 1 bf 234 - 238 -1.668535842877 -0.963329618038 2.199721355249
0.1900000000D+00 0.1000000000D+01
Atom H4 Shell 67 F 1 bf 239 - 245 -1.668535842877 -0.963329618038 2.199721355249
0.1397000000D+01 0.1000000000D+01
Atom H4 Shell 68 F 1 bf 246 - 252 -1.668535842877 -0.963329618038 2.199721355249
0.3600000000D+00 0.1000000000D+01
Atom H5 Shell 69 S 3 bf 253 - 253 1.668535842877 -0.963329618038 2.199721355249
0.8264000000D+02 0.2295075779D-01
0.1241000000D+02 0.1755401181D+00
0.2824000000D+01 0.8647035510D+00
Atom H5 Shell 70 S 1 bf 254 - 254 1.668535842877 -0.963329618038 2.199721355249
0.7977000000D+00 0.1000000000D+01
Atom H5 Shell 71 S 1 bf 255 - 255 1.668535842877 -0.963329618038 2.199721355249
0.2581000000D+00 0.1000000000D+01
Atom H5 Shell 72 S 1 bf 256 - 256 1.668535842877 -0.963329618038 2.199721355249
0.8989000000D-01 0.1000000000D+01
Atom H5 Shell 73 S 1 bf 257 - 257 1.668535842877 -0.963329618038 2.199721355249
0.2363000000D-01 0.1000000000D+01
Atom H5 Shell 74 P 1 bf 258 - 260 1.668535842877 -0.963329618038 2.199721355249
0.2292000000D+01 0.1000000000D+01
Atom H5 Shell 75 P 1 bf 261 - 263 1.668535842877 -0.963329618038 2.199721355249
0.8380000000D+00 0.1000000000D+01
Atom H5 Shell 76 P 1 bf 264 - 266 1.668535842877 -0.963329618038 2.199721355249
0.2920000000D+00 0.1000000000D+01
Atom H5 Shell 77 P 1 bf 267 - 269 1.668535842877 -0.963329618038 2.199721355249
0.8480000000D-01 0.1000000000D+01
Atom H5 Shell 78 D 1 bf 270 - 274 1.668535842877 -0.963329618038 2.199721355249
0.2062000000D+01 0.1000000000D+01
Atom H5 Shell 79 D 1 bf 275 - 279 1.668535842877 -0.963329618038 2.199721355249
0.6620000000D+00 0.1000000000D+01
Atom H5 Shell 80 D 1 bf 280 - 284 1.668535842877 -0.963329618038 2.199721355249
0.1900000000D+00 0.1000000000D+01
Atom H5 Shell 81 F 1 bf 285 - 291 1.668535842877 -0.963329618038 2.199721355249
0.1397000000D+01 0.1000000000D+01
Atom H5 Shell 82 F 1 bf 292 - 298 1.668535842877 -0.963329618038 2.199721355249
0.3600000000D+00 0.1000000000D+01
Atom H6 Shell 83 S 3 bf 299 - 299 0.000000000000 -1.926659236075 -2.199721355249
0.8264000000D+02 0.2295075779D-01
0.1241000000D+02 0.1755401181D+00
0.2824000000D+01 0.8647035510D+00
Atom H6 Shell 84 S 1 bf 300 - 300 0.000000000000 -1.926659236075 -2.199721355249
0.7977000000D+00 0.1000000000D+01
Atom H6 Shell 85 S 1 bf 301 - 301 0.000000000000 -1.926659236075 -2.199721355249
0.2581000000D+00 0.1000000000D+01
Atom H6 Shell 86 S 1 bf 302 - 302 0.000000000000 -1.926659236075 -2.199721355249
0.8989000000D-01 0.1000000000D+01
Atom H6 Shell 87 S 1 bf 303 - 303 0.000000000000 -1.926659236075 -2.199721355249
0.2363000000D-01 0.1000000000D+01
Atom H6 Shell 88 P 1 bf 304 - 306 0.000000000000 -1.926659236075 -2.199721355249
0.2292000000D+01 0.1000000000D+01
Atom H6 Shell 89 P 1 bf 307 - 309 0.000000000000 -1.926659236075 -2.199721355249
0.8380000000D+00 0.1000000000D+01
Atom H6 Shell 90 P 1 bf 310 - 312 0.000000000000 -1.926659236075 -2.199721355249
0.2920000000D+00 0.1000000000D+01
Atom H6 Shell 91 P 1 bf 313 - 315 0.000000000000 -1.926659236075 -2.199721355249
0.8480000000D-01 0.1000000000D+01
Atom H6 Shell 92 D 1 bf 316 - 320 0.000000000000 -1.926659236075 -2.199721355249
0.2062000000D+01 0.1000000000D+01
Atom H6 Shell 93 D 1 bf 321 - 325 0.000000000000 -1.926659236075 -2.199721355249
0.6620000000D+00 0.1000000000D+01
Atom H6 Shell 94 D 1 bf 326 - 330 0.000000000000 -1.926659236075 -2.199721355249
0.1900000000D+00 0.1000000000D+01
Atom H6 Shell 95 F 1 bf 331 - 337 0.000000000000 -1.926659236075 -2.199721355249
0.1397000000D+01 0.1000000000D+01
Atom H6 Shell 96 F 1 bf 338 - 344 0.000000000000 -1.926659236075 -2.199721355249
0.3600000000D+00 0.1000000000D+01
Atom H7 Shell 97 S 3 bf 345 - 345 -1.668535842877 0.963329618038 -2.199721355249
0.8264000000D+02 0.2295075779D-01
0.1241000000D+02 0.1755401181D+00
0.2824000000D+01 0.8647035510D+00
Atom H7 Shell 98 S 1 bf 346 - 346 -1.668535842877 0.963329618038 -2.199721355249
0.7977000000D+00 0.1000000000D+01
Atom H7 Shell 99 S 1 bf 347 - 347 -1.668535842877 0.963329618038 -2.199721355249
0.2581000000D+00 0.1000000000D+01
Atom H7 Shell 100 S 1 bf 348 - 348 -1.668535842877 0.963329618038 -2.199721355249
0.8989000000D-01 0.1000000000D+01
Atom H7 Shell 101 S 1 bf 349 - 349 -1.668535842877 0.963329618038 -2.199721355249
0.2363000000D-01 0.1000000000D+01
Atom H7 Shell 102 P 1 bf 350 - 352 -1.668535842877 0.963329618038 -2.199721355249
0.2292000000D+01 0.1000000000D+01
Atom H7 Shell 103 P 1 bf 353 - 355 -1.668535842877 0.963329618038 -2.199721355249
0.8380000000D+00 0.1000000000D+01
Atom H7 Shell 104 P 1 bf 356 - 358 -1.668535842877 0.963329618038 -2.199721355249
0.2920000000D+00 0.1000000000D+01
Atom H7 Shell 105 P 1 bf 359 - 361 -1.668535842877 0.963329618038 -2.199721355249
0.8480000000D-01 0.1000000000D+01
Atom H7 Shell 106 D 1 bf 362 - 366 -1.668535842877 0.963329618038 -2.199721355249
0.2062000000D+01 0.1000000000D+01
Atom H7 Shell 107 D 1 bf 367 - 371 -1.668535842877 0.963329618038 -2.199721355249
0.6620000000D+00 0.1000000000D+01
Atom H7 Shell 108 D 1 bf 372 - 376 -1.668535842877 0.963329618038 -2.199721355249
0.1900000000D+00 0.1000000000D+01
Atom H7 Shell 109 F 1 bf 377 - 383 -1.668535842877 0.963329618038 -2.199721355249
0.1397000000D+01 0.1000000000D+01
Atom H7 Shell 110 F 1 bf 384 - 390 -1.668535842877 0.963329618038 -2.199721355249
0.3600000000D+00 0.1000000000D+01
Atom H8 Shell 111 S 3 bf 391 - 391 1.668535842877 0.963329618038 -2.199721355249
0.8264000000D+02 0.2295075779D-01
0.1241000000D+02 0.1755401181D+00
0.2824000000D+01 0.8647035510D+00
Atom H8 Shell 112 S 1 bf 392 - 392 1.668535842877 0.963329618038 -2.199721355249
0.7977000000D+00 0.1000000000D+01
Atom H8 Shell 113 S 1 bf 393 - 393 1.668535842877 0.963329618038 -2.199721355249
0.2581000000D+00 0.1000000000D+01
Atom H8 Shell 114 S 1 bf 394 - 394 1.668535842877 0.963329618038 -2.199721355249
0.8989000000D-01 0.1000000000D+01
Atom H8 Shell 115 S 1 bf 395 - 395 1.668535842877 0.963329618038 -2.199721355249
0.2363000000D-01 0.1000000000D+01
Atom H8 Shell 116 P 1 bf 396 - 398 1.668535842877 0.963329618038 -2.199721355249
0.2292000000D+01 0.1000000000D+01
Atom H8 Shell 117 P 1 bf 399 - 401 1.668535842877 0.963329618038 -2.199721355249
0.8380000000D+00 0.1000000000D+01
Atom H8 Shell 118 P 1 bf 402 - 404 1.668535842877 0.963329618038 -2.199721355249
0.2920000000D+00 0.1000000000D+01
Atom H8 Shell 119 P 1 bf 405 - 407 1.668535842877 0.963329618038 -2.199721355249
0.8480000000D-01 0.1000000000D+01
Atom H8 Shell 120 D 1 bf 408 - 412 1.668535842877 0.963329618038 -2.199721355249
0.2062000000D+01 0.1000000000D+01
Atom H8 Shell 121 D 1 bf 413 - 417 1.668535842877 0.963329618038 -2.199721355249
0.6620000000D+00 0.1000000000D+01
Atom H8 Shell 122 D 1 bf 418 - 422 1.668535842877 0.963329618038 -2.199721355249
0.1900000000D+00 0.1000000000D+01
Atom H8 Shell 123 F 1 bf 423 - 429 1.668535842877 0.963329618038 -2.199721355249
0.1397000000D+01 0.1000000000D+01
Atom H8 Shell 124 F 1 bf 430 - 436 1.668535842877 0.963329618038 -2.199721355249
0.3600000000D+00 0.1000000000D+01
There are 160 symmetry adapted cartesian basis functions of AG symmetry.
There are 110 symmetry adapted cartesian basis functions of BG symmetry.
There are 110 symmetry adapted cartesian basis functions of AU symmetry.
There are 160 symmetry adapted cartesian basis functions of BU symmetry.
There are 126 symmetry adapted basis functions of AG symmetry.
There are 92 symmetry adapted basis functions of BG symmetry.
There are 92 symmetry adapted basis functions of AU symmetry.
There are 126 symmetry adapted basis functions of BU symmetry.
436 basis functions, 590 primitive gaussians, 540 cartesian basis functions
9 alpha electrons 9 beta electrons
nuclear repulsion energy 42.1422241030 Hartrees.
IExCor= 0 DFT=F Ex=HF Corr=None ExCW=0 ScaHFX= 1.000000
ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000
IRadAn= 0 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi= 4
NAtoms= 8 NActive= 8 NUniq= 2 SFac= 4.00D+00 NAtFMM= 60 NAOKFM=F Big=F
Integral buffers will be 131072 words long.
Raffenetti 2 integral format.
Two-electron integral symmetry is turned on.
Leave Link 301 at Fri Apr 5 20:30:55 2019, MaxMem= 33554432 cpu: 0.0
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l302.exe)
NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1
NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0.
One-electron integrals computed using PRISM.
One-electron integral symmetry used in STVInt
NBasis= 436 RedAO= T EigKep= 5.47D-06 NBF= 126 92 92 126
NBsUse= 436 1.00D-06 EigRej= -1.00D+00 NBFU= 126 92 92 126
Leave Link 302 at Fri Apr 5 20:30:55 2019, MaxMem= 33554432 cpu: 0.3
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l303.exe)
DipDrv: MaxL=1.
Leave Link 303 at Fri Apr 5 20:30:55 2019, MaxMem= 33554432 cpu: 0.1
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l401.exe)
ExpMin= 2.36D-02 ExpMax= 3.40D+04 ExpMxC= 3.27D+02 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= -79.5509891130650
JPrj=0 DoOrth=F DoCkMO=F.
Initial guess orbital symmetries:
Occupied (A1G) (A2U) (A1G) (A2U) (EU) (EU) (A1G) (EG) (EG)
Virtual (A1G) (A2U) (EU) (EU) (EG) (EG) (A1G) (A2U) (EG)
(EG) (EU) (EU) (A1G) (A2U) (EU) (EU) (EG) (EG)
(A2U) (A1G) (EU) (EU) (EG) (EG) (A2U) (A1U) (A1G)
(EU) (EU) (EU) (EU) (A2U) (EG) (EG) (A2U) (A1G)
(EG) (EG) (A2G) (EG) (EG) (A1G) (EG) (EG) (EU)
(EU) (A2U) (EU) (EU) (A1G) (EU) (EU) (EG) (EG)
(A1G) (A2U) (EU) (EU) (A1U) (EU) (EU) (A2U) (EG)
(EG) (A2U) (EG) (EG) (A1G) (A2G) (EG) (EG) (A1G)
(EU) (EU) (A1U) (EU) (EU) (A2U) (EG) (EG) (EU)
(EU) (A2U) (A1G) (EG) (EG) (EU) (EU) (EG) (EG)
(A1G) (EU) (EU) (A2G) (EG) (EG) (A1G) (A2U) (EG)
(EG) (A1U) (EU) (EU) (A2U) (EG) (EG) (A1G) (A2U)
(EU) (EU) (A2G) (A2U) (A1G) (EG) (EG) (EU) (EU)
(A1U) (EG) (EG) (A1G) (EU) (EU) (A2U) (EU) (EU)
(A2G) (EG) (EG) (A1G) (EU) (EU) (EG) (EG) (A2U)
(EG) (EG) (EU) (EU) (A1G) (EU) (EU) (A1G) (A2U)
(EU) (EU) (EG) (EG) (A1U) (A2G) (EU) (EU) (EG)
(EG) (A2U) (EG) (EG) (EU) (EU) (A1U) (A1G) (EG)
(EG) (EG) (EG) (A2G) (A1U) (A1G) (A2U) (EU) (EU)
(A2U) (EU) (EU) (A1G) (A2U) (EG) (EG) (EU) (EU)
(A1G) (A2G) (A2U) (A1U) (EU) (EU) (EG) (EG) (A1G)
(EG) (EG) (EU) (EU) (EG) (EG) (A2U) (EG) (EG)
(EU) (EU) (A2G) (A2U) (EG) (EG) (A1G) (EU) (EU)
(A1U) (A2G) (EG) (EG) (A1G) (EU) (EU) (EG) (EG)
(A1G) (EU) (EU) (A2U) (A1G) (EG) (EG) (A2U) (EU)
(EU) (A2U) (EG) (EG) (EU) (EU) (A1U) (EG) (EG)
(EU) (EU) (A2G) (A1G) (A1U) (A2U) (EU) (EU) (EG)
(EG) (A2U) (EU) (EU) (A2U) (EG) (EG) (A1G) (A1G)
(EG) (EG) (EU) (EU) (A1G) (EU) (EU) (EG) (EG)
(A2U) (EG) (EG) (EU) (EU) (A2G) (EU) (EU) (EG)
(EG) (A1G) (A2U) (A1U) (EG) (EG) (A1G) (A2U) (EU)
(EU) (A2G) (EG) (EG) (EU) (EU) (A2U) (A1U) (EG)
(EG) (A2G) (EU) (EU) (A1G) (A1G) (EG) (EG) (A2U)
(EU) (EU) (EG) (EG) (A1G) (A1U) (EU) (EU) (A2U)
(A1U) (A2G) (EG) (EG) (EU) (EU) (EG) (EG) (A2G)
(A2U) (EU) (EU) (A1G) (EU) (EU) (EG) (EG) (A1U)
(A1G) (A1G) (EU) (EU) (EG) (EG) (EG) (EG) (EU)
(EU) (A2U) (A2U) (EU) (EU) (A1G) (EG) (EG) (A2G)
(EU) (EU) (A2U) (EG) (EG) (A1G) (EU) (EU) (A2U)
(EG) (EG) (EU) (EU) (EG) (EG) (A2U) (A1G) (EU)
(EU) (EG) (EG) (A1U) (EG) (EG) (A2G) (EU) (EU)
(A1G) (A1U) (A2U) (EG) (EG) (EU) (EU) (A2U) (A1G)
(EG) (EG) (EU) (EU) (A1G) (A2G) (EU) (EU) (EG)
(EG) (A2U) (A1G) (EG) (EG) (A1U) (EU) (EU) (EU)
(EU) (EG) (EG) (A2G) (A2U) (EU) (EU) (EG) (EG)
(A2U) (A1G) (EG) (EG) (A1G) (A2U) (EU) (EU) (EG)
(EG) (A1U) (EU) (EU) (A2G) (EG) (EG) (EU) (EU)
(A1G) (A2U) (A2U) (A1G)
The electronic state of the initial guess is 1-A1G.
Leave Link 401 at Fri Apr 5 20:30:57 2019, MaxMem= 33554432 cpu: 1.7
(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.
IVT= 903090 IEndB= 903090 NGot= 33554432 MDV= 32960123
LenX= 32960123 LenY= 32667983
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.
Fock matrices will be formed incrementally for 20 cycles.
Cycle 1 Pass 0 IDiag 1:
FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F
IRaf= 990000000 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.
E= -79.0615769628249
DIIS: error= 4.37D-02 at cycle 1 NSaved= 1.
NSaved= 1 IEnMin= 1 EnMin= -79.0615769628249 IErMin= 1 ErrMin= 4.37D-02
ErrMax= 4.37D-02 0.00D+00 EMaxC= 1.00D-01 BMatC= 2.86D-01 BMatP= 2.86D-01
IDIUse=3 WtCom= 5.63D-01 WtEn= 4.37D-01
Coeff-Com: 0.100D+01
Coeff-En: 0.100D+01
Coeff: 0.100D+01
Gap= 0.486 Goal= None Shift= 0.000
GapD= 0.486 DampG=2.000 DampE=0.500 DampFc=1.0000 IDamp=-1.
RMSDP=8.51D-04 MaxDP=4.81D-02 OVMax= 1.44D-01
Cycle 2 Pass 0 IDiag 1:
RMSU= 7.82D-04 CP: 8.81D-01
E= -79.2256909727953 Delta-E= -0.164114009970 Rises=F Damp=F
DIIS: error= 2.63D-02 at cycle 2 NSaved= 2.
NSaved= 2 IEnMin= 2 EnMin= -79.2256909727953 IErMin= 2 ErrMin= 2.63D-02
ErrMax= 2.63D-02 0.00D+00 EMaxC= 1.00D-01 BMatC= 4.15D-02 BMatP= 2.86D-01
IDIUse=3 WtCom= 7.37D-01 WtEn= 2.63D-01
Coeff-Com: 0.228D+00 0.772D+00
Coeff-En: 0.000D+00 0.100D+01
Coeff: 0.168D+00 0.832D+00
Gap= 0.534 Goal= None Shift= 0.000
RMSDP=2.86D-04 MaxDP=1.74D-02 DE=-1.64D-01 OVMax= 6.82D-02
Cycle 3 Pass 0 IDiag 1:
RMSU= 2.41D-04 CP: 9.12D-01 8.39D-01
E= -79.2625522652891 Delta-E= -0.036861292494 Rises=F Damp=F
DIIS: error= 5.12D-03 at cycle 3 NSaved= 3.
NSaved= 3 IEnMin= 3 EnMin= -79.2625522652891 IErMin= 3 ErrMin= 5.12D-03
ErrMax= 5.12D-03 0.00D+00 EMaxC= 1.00D-01 BMatC= 2.26D-03 BMatP= 4.15D-02
IDIUse=3 WtCom= 9.49D-01 WtEn= 5.12D-02
Coeff-Com: -0.277D-01 0.143D+00 0.885D+00
Coeff-En: 0.000D+00 0.000D+00 0.100D+01
Coeff: -0.263D-01 0.135D+00 0.891D+00
Gap= 0.514 Goal= None Shift= 0.000
RMSDP=6.32D-05 MaxDP=3.50D-03 DE=-3.69D-02 OVMax= 1.31D-02
Cycle 4 Pass 0 IDiag 1:
RMSU= 2.89D-05 CP: 9.05D-01 8.96D-01 8.84D-01
E= -79.2648435549553 Delta-E= -0.002291289666 Rises=F Damp=F
DIIS: error= 7.33D-04 at cycle 4 NSaved= 4.
NSaved= 4 IEnMin= 4 EnMin= -79.2648435549553 IErMin= 4 ErrMin= 7.33D-04
ErrMax= 7.33D-04 0.00D+00 EMaxC= 1.00D-01 BMatC= 2.12D-05 BMatP= 2.26D-03
IDIUse=3 WtCom= 9.93D-01 WtEn= 7.33D-03
Coeff-Com: 0.127D-02-0.322D-01-0.112D+00 0.114D+01
Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.100D+01
Coeff: 0.126D-02-0.320D-01-0.111D+00 0.114D+01
Gap= 0.514 Goal= None Shift= 0.000
RMSDP=1.25D-05 MaxDP=6.26D-04 DE=-2.29D-03 OVMax= 3.63D-03
Cycle 5 Pass 0 IDiag 1:
RMSU= 4.91D-06 CP: 9.05D-01 9.00D-01 8.86D-01 1.38D+00
E= -79.2648938057630 Delta-E= -0.000050250808 Rises=F Damp=F
DIIS: error= 1.75D-04 at cycle 5 NSaved= 5.
NSaved= 5 IEnMin= 5 EnMin= -79.2648938057630 IErMin= 5 ErrMin= 1.75D-04
ErrMax= 1.75D-04 0.00D+00 EMaxC= 1.00D-01 BMatC= 1.37D-06 BMatP= 2.12D-05
IDIUse=3 WtCom= 9.98D-01 WtEn= 1.75D-03
Coeff-Com: 0.142D-02-0.538D-02-0.375D-01-0.177D+00 0.122D+01
Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.100D+01
Coeff: 0.141D-02-0.537D-02-0.375D-01-0.177D+00 0.122D+01
Gap= 0.515 Goal= None Shift= 0.000
RMSDP=4.77D-06 MaxDP=2.36D-04 DE=-5.03D-05 OVMax= 1.12D-03
Initial convergence to 1.0D-05 achieved. Increase integral accuracy.
Cycle 6 Pass 1 IDiag 1:
E= -79.2648974464584 Delta-E= -0.000003640695 Rises=F Damp=F
DIIS: error= 1.61D-05 at cycle 1 NSaved= 1.
NSaved= 1 IEnMin= 1 EnMin= -79.2648974464584 IErMin= 1 ErrMin= 1.61D-05
ErrMax= 1.61D-05 0.00D+00 EMaxC= 1.00D-01 BMatC= 9.57D-09 BMatP= 9.57D-09
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
Coeff-Com: 0.100D+01
Coeff: 0.100D+01
Gap= 0.515 Goal= None Shift= 0.000
RMSDP=4.77D-06 MaxDP=2.36D-04 DE=-3.64D-06 OVMax= 6.54D-05
Cycle 7 Pass 1 IDiag 1:
RMSU= 2.95D-07 CP: 1.00D+00
E= -79.2648974674965 Delta-E= -0.000000021038 Rises=F Damp=F
DIIS: error= 4.48D-06 at cycle 2 NSaved= 2.
NSaved= 2 IEnMin= 2 EnMin= -79.2648974674965 IErMin= 2 ErrMin= 4.48D-06
ErrMax= 4.48D-06 0.00D+00 EMaxC= 1.00D-01 BMatC= 1.11D-09 BMatP= 9.57D-09
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
Coeff-Com: -0.101D+00 0.110D+01
Coeff: -0.101D+00 0.110D+01
Gap= 0.515 Goal= None Shift= 0.000
RMSDP=1.11D-07 MaxDP=8.58D-06 DE=-2.10D-08 OVMax= 1.88D-05
Cycle 8 Pass 1 IDiag 1:
RMSU= 5.68D-08 CP: 1.00D+00 1.32D+00
E= -79.2648974702771 Delta-E= -0.000000002781 Rises=F Damp=F
DIIS: error= 2.57D-06 at cycle 3 NSaved= 3.
NSaved= 3 IEnMin= 3 EnMin= -79.2648974702771 IErMin= 3 ErrMin= 2.57D-06
ErrMax= 2.57D-06 0.00D+00 EMaxC= 1.00D-01 BMatC= 2.13D-10 BMatP= 1.11D-09
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
Coeff-Com: -0.153D+00 0.204D+00 0.949D+00
Coeff: -0.153D+00 0.204D+00 0.949D+00
Gap= 0.515 Goal= None Shift= 0.000
RMSDP=3.87D-08 MaxDP=3.83D-06 DE=-2.78D-09 OVMax= 1.05D-05
Cycle 9 Pass 1 IDiag 1:
RMSU= 1.37D-08 CP: 1.00D+00 1.45D+00 1.04D+00
E= -79.2648974706495 Delta-E= -0.000000000372 Rises=F Damp=F
DIIS: error= 2.16D-07 at cycle 4 NSaved= 4.
NSaved= 4 IEnMin= 4 EnMin= -79.2648974706495 IErMin= 4 ErrMin= 2.16D-07
ErrMax= 2.16D-07 0.00D+00 EMaxC= 1.00D-01 BMatC= 2.57D-12 BMatP= 2.13D-10
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
Coeff-Com: 0.385D-01-0.772D-01-0.216D+00 0.125D+01
Coeff: 0.385D-01-0.772D-01-0.216D+00 0.125D+01
Gap= 0.515 Goal= None Shift= 0.000
RMSDP=4.70D-09 MaxDP=2.43D-07 DE=-3.72D-10 OVMax= 1.01D-06
SCF Done: E(ROHF) = -79.2648974706 A.U. after 9 cycles
NFock= 9 Conv=0.47D-08 -V/T= 2.0015
<Sx>= 0.0000 <Sy>= 0.0000 <Sz>= 0.0000 <S**2>= 0.0000 S= 0.0000
<L.S>= 0.000000000000E+00
KE= 7.914870197142D+01 PE=-2.680607357460D+02 EE= 6.750491220092D+01
Annihilation of the first spin contaminant:
S**2 before annihilation 0.0000, after 0.0000
Leave Link 502 at Fri Apr 5 20:36:39 2019, MaxMem= 33554432 cpu: 339.2
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l801.exe)
Windowed orbitals will be sorted by symmetry type.
GenMOA: NOpAll= 12 NOp2=4 NOpUse= 12 JSym2X=1
FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F
IRaf= 0 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 1.
FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0
NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T
wScrn= 0.000000 ICntrl= 0 IOpCl= 1 I1Cent= 0 NGrid= 0
NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0
Petite list used in FoFCou.
<Sx>= 0.0000 <Sy>= 0.0000 <Sz>= 0.0000 <S**2>= 0.0000 S= 0.0000
Range of M.O.s used for correlation: 1 436
NBasis= 436 NAE= 9 NBE= 9 NFC= 0 NFV= 0
NROrb= 436 NOA= 9 NOB= 9 NVA= 427 NVB= 427
**** Warning!!: The largest alpha MO coefficient is 0.96786678D+02
**** Warning!!: The largest beta MO coefficient is 0.96786678D+02
Singles contribution to E2= -0.3855515989D-13
Leave Link 801 at Fri Apr 5 20:37:17 2019, MaxMem= 33554432 cpu: 38.2
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l804.exe)
Open-shell transformation, MDV= 33554432 ITran=4 ISComp=2.
Semi-Direct transformation.
ModeAB= 4 MOrb= 9 LenV= 28203611
LASXX= 92095653 LTotXX= 92095653 LenRXX= 184904631
LTotAB= 92808978 MaxLAS= 200775384 LenRXY= 0
NonZer= 277000284 LenScr= 421003264 LnRSAI= 200775384
LnScr1= 306380800 LExtra= 0 Total= 1113064079
MaxDsk= -1 SrtSym= T ITran= 4
DoSDTr: NPSUse= 1
JobTyp=1 Pass 1: I= 1 to 9.
Complete sort for first half transformation.
First half transformation complete.
Complete sort for second half transformation.
Second half transformation complete.
ModeAB= 4 MOrb= 9 LenV= 28203611
LASXX= 92095653 LTotXX= 92095653 LenRXX= 181097931
LTotAB= 89002278 MaxLAS= 200775384 LenRXY= 0
NonZer= 273193584 LenScr= 414515200 LnRSAI= 200775384
LnScr1= 306380800 LExtra= 0 Total= 1102769315
MaxDsk= -1 SrtSym= T ITran= 4
DoSDTr: NPSUse= 1
JobTyp=2 Pass 1: I= 1 to 9.
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 = 0.1292658332D-01 E2= -0.4245542392D-01
alpha-beta T2 = 0.9362042968D-01 E2= -0.3676983519D+00
beta-beta T2 = 0.1292658332D-01 E2= -0.4245542392D-01
ANorm= 0.1058051793D+01
E2 = -0.4526091998D+00 EUMP2 = -0.79717506670411D+02
(S**2,0)= 0.00000D+00 (S**2,1)= 0.00000D+00
E(PUHF)= -0.79264897471D+02 E(PMP2)= -0.79717506670D+02
Leave Link 804 at Fri Apr 5 20:51:28 2019, MaxMem= 33554432 cpu: 762.1
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l913.exe)
CIDS: MDV= 33554432.
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.
Would need an additional 5639811847 words for in-memory AO integral storage.
CCSD(T)
=======
Iterations= 50 Convergence= 0.100D-06
Iteration Nr. 1
**********************
DD1Dir will call FoFJK 3 times, MxPair= 78
NAB= 81 NAA= 36 NBB= 36 NumPrc= 1.
DD1Dir: Pass 1 NRAB= 39 NRAA= 0 NRBB= 0 NR= 78.
FoFJK: IHMeth= 1 ICntrl= 200 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F
IRaf= 990000000 NMat= 78 IRICut= 97 DoRegI=T DoRafI=T 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= 200 IOpCl= 0 I1Cent= 0 NGrid= 0
NMat0= 78 NMatS0= 0 NMatT0= 39 NMatD0= 78 NMtDS0= 0 NMtDT0= 0
Petite list used in FoFCou.
DD1Dir: Pass 2 NRAB= 39 NRAA= 0 NRBB= 0 NR= 78.
DD1Dir: Pass 3 NRAB= 3 NRAA= 36 NRBB= 36 NR= 78.
DD1Dir will call FoFJK 3 times, MxPair= 78
NAB= 81 NAA= 36 NBB= 36 NumPrc= 1.
DD1Dir: Pass 1 NRAB= 39 NRAA= 0 NRBB= 0 NR= 78.
DD1Dir: Pass 2 NRAB= 39 NRAA= 0 NRBB= 0 NR= 78.
DD1Dir: Pass 3 NRAB= 3 NRAA= 36 NRBB= 36 NR= 78.
MP4(R+Q)= 0.36322196D-01
Maximum subspace dimension= 5
Norm of the A-vectors is 9.4772312D-02 conv= 1.00D-05.
RLE energy= -0.4433177380
E3= -0.26835996D-01 EROMP3= -0.79744342666D+02
E4(SDQ)= -0.19178698D-02 ROMP4(SDQ)= -0.79746260536D+02
VARIATIONAL ENERGIES WITH THE FIRST-ORDER WAVEFUNCTION:
DE(Corr)= -0.44312300 E(Corr)= -79.708020470
NORM(A)= 0.10549371D+01
Iteration Nr. 2
**********************
DD1Dir will call FoFJK 3 times, MxPair= 78
NAB= 81 NAA= 36 NBB= 36 NumPrc= 1.
DD1Dir: Pass 1 NRAB= 39 NRAA= 0 NRBB= 0 NR= 78.
DD1Dir: Pass 2 NRAB= 39 NRAA= 0 NRBB= 0 NR= 78.
DD1Dir: Pass 3 NRAB= 3 NRAA= 36 NRBB= 36 NR= 78.
Norm of the A-vectors is 4.4029832D-01 conv= 1.00D-05.
RLE energy= -0.4497300928
DE(Corr)= -0.46940158 E(CORR)= -79.734299053 Delta=-2.63D-02
NORM(A)= 0.10570059D+01
Iteration Nr. 3
**********************
DD1Dir will call FoFJK 3 times, MxPair= 78
NAB= 81 NAA= 36 NBB= 36 NumPrc= 1.
DD1Dir: Pass 1 NRAB= 39 NRAA= 0 NRBB= 0 NR= 78.
DD1Dir: Pass 2 NRAB= 39 NRAA= 0 NRBB= 0 NR= 78.
DD1Dir: Pass 3 NRAB= 3 NRAA= 36 NRBB= 36 NR= 78.
Norm of the A-vectors is 3.5963040D-01 conv= 1.00D-05.
RLE energy= -0.4660374619
DE(Corr)= -0.47168539 E(CORR)= -79.736582865 Delta=-2.28D-03
NORM(A)= 0.10631441D+01
Iteration Nr. 4
**********************
DD1Dir will call FoFJK 3 times, MxPair= 78
NAB= 81 NAA= 36 NBB= 36 NumPrc= 1.
DD1Dir: Pass 1 NRAB= 39 NRAA= 0 NRBB= 0 NR= 78.
DD1Dir: Pass 2 NRAB= 39 NRAA= 0 NRBB= 0 NR= 78.
DD1Dir: Pass 3 NRAB= 3 NRAA= 36 NRBB= 36 NR= 78.
Norm of the A-vectors is 1.8728094D-01 conv= 1.00D-05.
RLE energy= -0.4813398821
DE(Corr)= -0.47619643 E(CORR)= -79.741093899 Delta=-4.51D-03
NORM(A)= 0.10705031D+01
Iteration Nr. 5
**********************
DD1Dir will call FoFJK 3 times, MxPair= 78
NAB= 81 NAA= 36 NBB= 36 NumPrc= 1.
DD1Dir: Pass 1 NRAB= 39 NRAA= 0 NRBB= 0 NR= 78.
DD1Dir: Pass 2 NRAB= 39 NRAA= 0 NRBB= 0 NR= 78.
DD1Dir: Pass 3 NRAB= 3 NRAA= 36 NRBB= 36 NR= 78.
Norm of the A-vectors is 9.3975930D-03 conv= 1.00D-05.
RLE energy= -0.4822345211
DE(Corr)= -0.48124174 E(CORR)= -79.746139212 Delta=-5.05D-03
NORM(A)= 0.10710210D+01
Iteration Nr. 6
**********************
DD1Dir will call FoFJK 3 times, MxPair= 78
NAB= 81 NAA= 36 NBB= 36 NumPrc= 1.
DD1Dir: Pass 1 NRAB= 39 NRAA= 0 NRBB= 0 NR= 78.
DD1Dir: Pass 2 NRAB= 39 NRAA= 0 NRBB= 0 NR= 78.
DD1Dir: Pass 3 NRAB= 3 NRAA= 36 NRBB= 36 NR= 78.
Norm of the A-vectors is 1.2119305D-02 conv= 1.00D-05.
RLE energy= -0.4812072001
DE(Corr)= -0.48152515 E(CORR)= -79.746422618 Delta=-2.83D-04
NORM(A)= 0.10705112D+01
Iteration Nr. 7
**********************
DD1Dir will call FoFJK 3 times, MxPair= 78
NAB= 81 NAA= 36 NBB= 36 NumPrc= 1.
DD1Dir: Pass 1 NRAB= 39 NRAA= 0 NRBB= 0 NR= 78.
DD1Dir: Pass 2 NRAB= 39 NRAA= 0 NRBB= 0 NR= 78.
DD1Dir: Pass 3 NRAB= 3 NRAA= 36 NRBB= 36 NR= 78.
Norm of the A-vectors is 7.3477406D-04 conv= 1.00D-05.
RLE energy= -0.4812082784
DE(Corr)= -0.48120673 E(CORR)= -79.746104202 Delta= 3.18D-04
NORM(A)= 0.10705140D+01
Iteration Nr. 8
**********************
DD1Dir will call FoFJK 3 times, MxPair= 78
NAB= 81 NAA= 36 NBB= 36 NumPrc= 1.
DD1Dir: Pass 1 NRAB= 39 NRAA= 0 NRBB= 0 NR= 78.
DD1Dir: Pass 2 NRAB= 39 NRAA= 0 NRBB= 0 NR= 78.
DD1Dir: Pass 3 NRAB= 3 NRAA= 36 NRBB= 36 NR= 78.
Norm of the A-vectors is 2.5986978D-04 conv= 1.00D-05.
RLE energy= -0.4812087670
DE(Corr)= -0.48120944 E(CORR)= -79.746106915 Delta=-2.71D-06
NORM(A)= 0.10705130D+01
Iteration Nr. 9
**********************
DD1Dir will call FoFJK 3 times, MxPair= 78
NAB= 81 NAA= 36 NBB= 36 NumPrc= 1.
DD1Dir: Pass 1 NRAB= 39 NRAA= 0 NRBB= 0 NR= 78.
DD1Dir: Pass 2 NRAB= 39 NRAA= 0 NRBB= 0 NR= 78.
DD1Dir: Pass 3 NRAB= 3 NRAA= 36 NRBB= 36 NR= 78.
Norm of the A-vectors is 8.1249556D-05 conv= 1.00D-05.
RLE energy= -0.4812085274
DE(Corr)= -0.48120853 E(CORR)= -79.746106003 Delta= 9.12D-07
NORM(A)= 0.10705129D+01
Iteration Nr. 10
**********************
DD1Dir will call FoFJK 3 times, MxPair= 78
NAB= 81 NAA= 36 NBB= 36 NumPrc= 1.
DD1Dir: Pass 1 NRAB= 39 NRAA= 0 NRBB= 0 NR= 78.
DD1Dir: Pass 2 NRAB= 39 NRAA= 0 NRBB= 0 NR= 78.
DD1Dir: Pass 3 NRAB= 3 NRAA= 36 NRBB= 36 NR= 78.
Norm of the A-vectors is 1.8962779D-05 conv= 1.00D-05.
RLE energy= -0.4812085569
DE(Corr)= -0.48120851 E(CORR)= -79.746105979 Delta= 2.44D-08
NORM(A)= 0.10705129D+01
Iteration Nr. 11
**********************
DD1Dir will call FoFJK 3 times, MxPair= 78
NAB= 81 NAA= 36 NBB= 36 NumPrc= 1.
DD1Dir: Pass 1 NRAB= 39 NRAA= 0 NRBB= 0 NR= 78.
DD1Dir: Pass 2 NRAB= 39 NRAA= 0 NRBB= 0 NR= 78.
DD1Dir: Pass 3 NRAB= 3 NRAA= 36 NRBB= 36 NR= 78.
Norm of the A-vectors is 6.7304430D-06 conv= 1.00D-05.
RLE energy= -0.4812085250
DE(Corr)= -0.48120854 E(CORR)= -79.746106008 Delta=-2.91D-08
NORM(A)= 0.10705129D+01
CI/CC converged in 11 iterations to DelEn=-2.91D-08 Conv= 1.00D-07 ErrA1= 6.73D-06 Conv= 1.00D-05
Largest amplitude= 2.56D-02
Time for triples= 17181.48 seconds.
T4(CCSD)= -0.16035247D-01
T5(CCSD)= 0.45409365D-03
CCSD(T)= -0.79761687161D+02
Discarding MO integrals.
Leave Link 913 at Sat Apr 6 09:45:18 2019, MaxMem= 33554432 cpu: 30022.0
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l601.exe)
Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=1.
**********************************************************************
Population analysis using the SCF density.
**********************************************************************
Orbital symmetries:
Occupied (A1G) (A2U) (A1G) (A2U) (EU) (EU) (A1G) (EG) (EG)
Virtual (A1G) (A2U) (EU) (EU) (EG) (EG) (A1G) (EG) (EG)
(A2U) (EU) (EU) (A1G) (A2U) (EG) (EG) (EU) (EU)
(EU) (EU) (A1G) (A2U) (A1U) (A2U) (EG) (EG) (EU)
(EU) (A1G) (EG) (EG) (A2G) (A1G) (EG) (EG) (A1G)
(A2U) (EG) (EG) (EU) (EU) (EG) (EG) (A2U) (EU)
(EU) (EU) (EU) (A2U) (EU) (EU) (A1G) (EG) (EG)
(EU) (EU) (A2U) (A1U) (A1G) (EU) (EU) (EG) (EG)
(A2U) (A2G) (A1G) (A2U) (EG) (EG) (A1U) (A1G)
(EG) (EG) (EU) (EU) (EU) (EU) (A2U) (EG) (EG)
(EU) (EU) (A1G) (EG) (EG) (A2U) (A2G) (EG) (EG)
(EU) (EU) (EU) (EU) (EG) (EG) (A1G) (A2U) (A1G)
(A1U) (EG) (EG) (A2U) (A1G) (EG) (EG) (EU) (EU)
(A2U) (EU) (EU) (A2G) (A2U) (A1G) (EG) (EG) (EU)
(EU) (A1U) (EG) (EG) (A1G) (A2G) (EU) (EU) (A2U)
(EU) (EU) (EG) (EG) (A1G) (EU) (EU) (A2U) (EG)
(EG) (EU) (EU) (EG) (EG) (A1G) (EU) (EU) (EG)
(EG) (A1G) (A1U) (EU) (EU) (A2G) (A2U) (EU) (EU)
(EG) (EG) (EU) (EU) (A1U) (EG) (EG) (A2U) (EG)
(EG) (A2G) (EG) (EG) (A1G) (A2U) (A1G) (EU) (EU)
(A1U) (A2U) (A2U) (A1G) (EG) (EG) (A2G) (EU) (EU)
(A1G) (EU) (EU) (A2U) (EU) (EU) (A1U) (EG) (EG)
(A1G) (EG) (EG) (EU) (EU) (A2U) (EG) (EG) (EG)
(EG) (A2G) (EU) (EU) (EG) (EG) (A2U) (A1U) (A1G)
(EU) (EU) (A2G) (EG) (EG) (EU) (EU) (A1G) (EG)
(EG) (A1G) (EU) (EU) (A2U) (EG) (EG) (A1G) (A2U)
(EU) (EU) (A2U) (EG) (EG) (EU) (EU) (A1U) (EG)
(EG) (EU) (EU) (A2G) (A1G) (A1U) (EU) (EU) (A2U)
(EG) (EG) (EU) (EU) (A2U) (A2U) (EG) (EG) (A1G)
(A1G) (EG) (EG) (EU) (EU) (A1G) (EU) (EU) (EG)
(EG) (A2U) (EU) (EU) (EG) (EG) (A2G) (EU) (EU)
(EG) (EG) (A1G) (A2U) (A1U) (EG) (EG) (A1G) (A2U)
(EU) (EU) (A2G) (EG) (EG) (EU) (EU) (A1U) (A2U)
(EG) (EG) (A2G) (EU) (EU) (A1G) (A1G) (EG) (EG)
(A2U) (EU) (EU) (EG) (EG) (A1G) (A1U) (A1U) (A2G)
(EU) (EU) (EU) (EU) (EG) (EG) (A2U) (EG) (EG)
(A2G) (EU) (EU) (A2U) (A1G) (EU) (EU) (A1U) (A1G)
(EG) (EG) (EU) (EU) (A1G) (EG) (EG) (EG) (EG)
(EU) (EU) (A2U) (A2U) (EG) (EG) (A1G) (A2G) (EU)
(EU) (EU) (EU) (A2U) (EG) (EG) (A1G) (EU) (EU)
(A2U) (EG) (EG) (EU) (EU) (A2U) (EG) (EG) (EU)
(EU) (A1G) (EG) (EG) (A1U) (EG) (EG) (A2G) (EU)
(EU) (A1U) (A2U) (A1G) (EG) (EG) (EU) (EU) (A1G)
(EG) (EG) (EU) (EU) (A2U) (A2G) (A1G) (EU) (EU)
(EG) (EG) (A2U) (A1G) (EG) (EG) (A1U) (EU) (EU)
(EU) (EU) (EG) (EG) (A2G) (A2U) (EU) (EU) (EG)
(EG) (A2U) (A1G) (EG) (EG) (EU) (EU) (A2U) (A1G)
(EG) (EG) (A1U) (EU) (EU) (A2G) (EG) (EG) (EU)
(EU) (A1G) (A2U) (A2U) (A1G)
The electronic state is 1-A1G.
Alpha occ. eigenvalues -- -11.21243 -11.21183 -1.01547 -0.84044 -0.59474
Alpha occ. eigenvalues -- -0.59474 -0.50968 -0.48589 -0.48589
Alpha virt. eigenvalues -- 0.02870 0.03797 0.03886 0.03886 0.06178
Alpha virt. eigenvalues -- 0.06178 0.08743 0.09982 0.09982 0.10792
Alpha virt. eigenvalues -- 0.12522 0.12522 0.12609 0.15851 0.19209
Alpha virt. eigenvalues -- 0.19209 0.20695 0.20695 0.24384 0.24384
Alpha virt. eigenvalues -- 0.24447 0.26136 0.26216 0.26875 0.26904
Alpha virt. eigenvalues -- 0.26904 0.30344 0.30344 0.31093 0.32431
Alpha virt. eigenvalues -- 0.32431 0.32735 0.33854 0.33984 0.33984
Alpha virt. eigenvalues -- 0.34365 0.35569 0.37542 0.37542 0.37986
Alpha virt. eigenvalues -- 0.37986 0.40734 0.40734 0.41236 0.42991
Alpha virt. eigenvalues -- 0.42991 0.46203 0.46203 0.46551 0.54255
Alpha virt. eigenvalues -- 0.54255 0.54974 0.59718 0.59718 0.61614
Alpha virt. eigenvalues -- 0.61614 0.63188 0.64250 0.64868 0.66528
Alpha virt. eigenvalues -- 0.66528 0.70760 0.70760 0.72274 0.73124
Alpha virt. eigenvalues -- 0.74373 0.74577 0.75857 0.75857 0.76853
Alpha virt. eigenvalues -- 0.78135 0.78425 0.78425 0.78768 0.78768
Alpha virt. eigenvalues -- 0.85283 0.85283 0.85840 0.86510 0.86510
Alpha virt. eigenvalues -- 0.90140 0.90140 0.90348 0.92014 0.92014
Alpha virt. eigenvalues -- 0.92342 0.96358 0.97514 0.97514 0.98271
Alpha virt. eigenvalues -- 0.98271 0.98951 0.98951 1.05803 1.05803
Alpha virt. eigenvalues -- 1.07243 1.11769 1.13797 1.16556 1.17276
Alpha virt. eigenvalues -- 1.17276 1.18218 1.21104 1.21533 1.21533
Alpha virt. eigenvalues -- 1.22627 1.22627 1.26078 1.26245 1.26245
Alpha virt. eigenvalues -- 1.27468 1.31405 1.31828 1.36041 1.36041
Alpha virt. eigenvalues -- 1.41058 1.41058 1.44419 1.51124 1.51124
Alpha virt. eigenvalues -- 1.51892 1.55025 1.55160 1.55160 1.58162
Alpha virt. eigenvalues -- 1.60174 1.60174 1.66565 1.66565 1.66920
Alpha virt. eigenvalues -- 1.68974 1.68974 1.77004 1.78514 1.78514
Alpha virt. eigenvalues -- 1.84303 1.84303 1.85536 1.85536 1.92400
Alpha virt. eigenvalues -- 1.93643 1.93643 1.96958 1.96958 1.98130
Alpha virt. eigenvalues -- 1.99869 2.00488 2.00488 2.01320 2.02230
Alpha virt. eigenvalues -- 2.03047 2.03047 2.04405 2.04405 2.06566
Alpha virt. eigenvalues -- 2.06566 2.07073 2.07656 2.07656 2.09811
Alpha virt. eigenvalues -- 2.14032 2.14032 2.15748 2.18367 2.18367
Alpha virt. eigenvalues -- 2.21003 2.22130 2.24106 2.26159 2.26159
Alpha virt. eigenvalues -- 2.26715 2.30384 2.32841 2.34423 2.35091
Alpha virt. eigenvalues -- 2.35091 2.35503 2.36571 2.36571 2.42443
Alpha virt. eigenvalues -- 2.43179 2.43179 2.44129 2.49536 2.49536
Alpha virt. eigenvalues -- 2.52142 2.52286 2.52286 2.55394 2.62058
Alpha virt. eigenvalues -- 2.62058 2.72324 2.72324 2.75663 2.81421
Alpha virt. eigenvalues -- 2.81421 2.82581 2.82581 2.84251 2.85662
Alpha virt. eigenvalues -- 2.85662 2.89322 2.89322 2.90149 2.93170
Alpha virt. eigenvalues -- 2.94631 2.99210 2.99210 3.01863 3.03984
Alpha virt. eigenvalues -- 3.03984 3.07391 3.07391 3.09519 3.20055
Alpha virt. eigenvalues -- 3.20055 3.27115 3.28995 3.28995 3.29364
Alpha virt. eigenvalues -- 3.30333 3.30333 3.33770 3.34001 3.39358
Alpha virt. eigenvalues -- 3.39358 3.51676 3.54198 3.54198 3.61324
Alpha virt. eigenvalues -- 3.61324 3.67494 3.72317 3.72317 3.76028
Alpha virt. eigenvalues -- 3.76028 3.77466 3.86043 3.86846 3.97770
Alpha virt. eigenvalues -- 3.97770 3.99054 3.99225 3.99225 4.01703
Alpha virt. eigenvalues -- 4.01703 4.06732 4.08723 4.09508 4.09508
Alpha virt. eigenvalues -- 4.13137 4.18090 4.24737 4.24737 4.25854
Alpha virt. eigenvalues -- 4.25854 4.33988 4.40148 4.40148 4.44163
Alpha virt. eigenvalues -- 4.44163 4.51142 4.51298 4.51298 4.51671
Alpha virt. eigenvalues -- 4.51671 4.59045 4.69332 4.69332 4.73485
Alpha virt. eigenvalues -- 4.73485 4.79586 4.87561 4.94920 4.95948
Alpha virt. eigenvalues -- 4.95948 5.08948 5.09146 5.17156 5.17156
Alpha virt. eigenvalues -- 5.29743 6.11226 6.11226 6.16195 6.16195
Alpha virt. eigenvalues -- 6.23152 6.23200 6.30712 6.30712 6.35202
Alpha virt. eigenvalues -- 6.44460 6.44460 6.49859 6.62189 6.68055
Alpha virt. eigenvalues -- 6.68055 6.76864 6.79572 6.79572 6.80317
Alpha virt. eigenvalues -- 6.80317 6.81214 6.86631 6.89843 6.90449
Alpha virt. eigenvalues -- 6.92794 6.92794 6.95906 6.95906 6.97155
Alpha virt. eigenvalues -- 6.97155 7.02455 7.03153 7.03153 7.08111
Alpha virt. eigenvalues -- 7.19702 7.19702 7.19739 7.27981 7.31451
Alpha virt. eigenvalues -- 7.31451 7.35105 7.36779 7.37223 7.37223
Alpha virt. eigenvalues -- 7.49286 7.49286 7.51433 7.56217 7.56217
Alpha virt. eigenvalues -- 7.69019 7.69019 7.82373 7.82373 7.82790
Alpha virt. eigenvalues -- 7.84630 7.92582 7.92582 7.94302 7.95844
Alpha virt. eigenvalues -- 7.96813 7.96813 8.18516 8.18516 8.21879
Alpha virt. eigenvalues -- 8.28096 8.28096 8.36208 8.43420 8.43420
Alpha virt. eigenvalues -- 8.46237 8.49840 8.49840 8.56498 8.56498
Alpha virt. eigenvalues -- 8.67531 8.69230 8.69230 8.77256 8.77256
Alpha virt. eigenvalues -- 8.79782 8.84682 8.84682 9.11129 9.18847
Alpha virt. eigenvalues -- 9.18847 9.22997 9.26616 9.26616 9.29085
Alpha virt. eigenvalues -- 9.30677 9.34154 9.35328 9.35328 9.38639
Alpha virt. eigenvalues -- 9.38639 9.43152 9.54339 9.54339 9.57355
Alpha virt. eigenvalues -- 9.57355 9.57500 9.65661 9.66874 9.76949
Alpha virt. eigenvalues -- 9.76949 9.83279 9.83279 9.89047 9.89845
Alpha virt. eigenvalues -- 9.94837 9.94837 9.99735 10.08820 10.08820
Alpha virt. eigenvalues -- 10.22219 10.22219 10.26761 10.26761 10.28885
Alpha virt. eigenvalues -- 10.33180 10.45530 10.45530 10.46974 10.46974
Alpha virt. eigenvalues -- 10.54753 10.77186 10.87805 10.87805 10.97425
Alpha virt. eigenvalues -- 10.97425 10.99787 11.00446 11.24159 11.24159
Alpha virt. eigenvalues -- 11.34524 11.42604 11.42604 11.48382 13.30178
Alpha virt. eigenvalues -- 13.30178 13.33576 13.33576 13.34508 13.67270
Alpha virt. eigenvalues -- 28.66189 28.90438
Molecular Orbital Coefficients:
1 2 3 4 5
(A1G)--O (A2U)--O (A1G)--O (A2U)--O (EU)--O
Eigenvalues -- -11.21243 -11.21183 -1.01547 -0.84044 -0.59474
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208 2S -0.05340 0.05139 -0.06231 -0.10792 0.01396
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212 6PX -0.00154 0.00130 -0.00165 -0.00146 0.00255
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229 11D 0 -0.00017 -0.00113 0.00038 0.00066 0.00445
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232 11D+2 -0.00130 0.00052 -0.00122 -0.00006 -0.00636
233 11D-2 -0.00016 0.00091 -0.00006 -0.00130 -0.01102
234 12D 0 -0.00107 -0.00037 0.00044 0.00076 -0.00933
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237 12D+2 -0.00079 -0.00032 -0.00098 0.00007 0.00808
238 12D-2 -0.00011 -0.00056 0.00007 -0.00089 0.01400
239 13F 0 -0.00014 0.00013 -0.00017 -0.00030 -0.00081
240 13F+1 0.00001 -0.00019 0.00003 -0.00006 0.00008
241 13F-1 0.00001 -0.00011 -0.00010 0.00003 0.00004
242 13F+2 0.00012 -0.00002 0.00011 0.00014 0.00053
243 13F-2 0.00013 -0.00004 0.00014 0.00027 0.00092
244 13F+3 -0.00019 0.00000 -0.00021 0.00012 0.00000
245 13F-3 -0.00020 0.00015 -0.00017 -0.00029 -0.00075
246 14F 0 -0.00010 -0.00008 -0.00004 -0.00007 0.00831
247 14F+1 -0.00025 -0.00008 -0.00011 -0.00017 0.00094
248 14F-1 0.00027 -0.00005 -0.00004 -0.00011 0.00054
249 14F+2 0.00019 0.00011 0.00020 0.00033 -0.00097
250 14F-2 0.00044 0.00019 0.00033 0.00059 -0.00168
251 14F+3 0.00023 0.00000 0.00020 -0.00012 0.00000
252 14F-3 -0.00013 0.00019 0.00000 0.00000 0.00583
253 5 H 1S -0.02044 0.01850 -0.02363 0.04093 0.00147
254 2S -0.05340 0.05139 -0.06231 0.10792 0.01396
255 3S -0.04865 0.06097 -0.07088 0.12276 -0.85678
256 4S 0.02472 0.02035 -0.02191 0.03795 -1.91009
257 5S 0.00274 0.00033 0.00139 -0.00241 -0.74444
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260 6PZ 0.00068 0.00117 0.00065 -0.00112 -0.00039
261 7PX 0.00524 -0.00524 0.00518 -0.00552 0.01850
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278 11D+2 -0.00130 0.00052 -0.00122 0.00006 -0.00636
279 11D-2 0.00016 -0.00091 0.00006 -0.00130 0.01102
280 12D 0 -0.00107 -0.00037 0.00044 -0.00076 -0.00933
281 12D+1 -0.00220 -0.00106 0.00058 -0.00009 -0.00595
282 12D-1 0.00098 0.00061 0.00057 0.00058 0.00343
283 12D+2 -0.00079 -0.00032 -0.00098 -0.00007 0.00808
284 12D-2 0.00011 0.00056 -0.00007 -0.00089 -0.01400
285 13F 0 -0.00014 0.00013 -0.00017 0.00030 -0.00081
286 13F+1 -0.00001 0.00019 -0.00003 -0.00006 -0.00008
287 13F-1 0.00001 -0.00011 -0.00010 -0.00003 0.00004
288 13F+2 0.00012 -0.00002 0.00011 -0.00014 0.00053
289 13F-2 -0.00013 0.00004 -0.00014 0.00027 -0.00092
290 13F+3 0.00019 0.00000 0.00021 0.00012 0.00000
291 13F-3 -0.00020 0.00015 -0.00017 0.00029 -0.00075
292 14F 0 -0.00010 -0.00008 -0.00004 0.00007 0.00831
293 14F+1 0.00025 0.00008 0.00011 -0.00017 -0.00094
294 14F-1 0.00027 -0.00005 -0.00004 0.00011 0.00054
295 14F+2 0.00019 0.00011 0.00020 -0.00033 -0.00097
296 14F-2 -0.00044 -0.00019 -0.00033 0.00059 0.00168
297 14F+3 -0.00023 0.00000 -0.00020 -0.00012 0.00000
298 14F-3 -0.00013 0.00019 0.00000 0.00000 0.00583
299 6 H 1S -0.04087 0.01850 0.04726 0.00000 0.00147
300 2S -0.10680 0.05139 0.12461 0.00000 0.01396
301 3S -0.09729 0.06097 0.14175 0.00000 -0.85678
302 4S 0.04944 0.02035 0.04382 0.00000 -1.91009
303 5S 0.00548 0.00033 -0.00278 0.00000 -0.74444
304 6PX 0.00000 0.00000 0.00000 -0.00140 0.00000
305 6PY -0.00223 0.00151 0.00241 0.00000 0.00294
306 6PZ -0.00136 -0.00117 0.00130 0.00000 0.00039
307 7PX 0.00000 0.00000 0.00000 -0.00345 0.00000
308 7PY -0.00809 0.00605 0.00851 0.00000 -0.02136
309 7PZ -0.00670 -0.00231 0.00429 0.00000 -0.00684
310 8PX 0.00000 0.00000 0.00000 -0.01005 0.00000
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312 8PZ -0.00742 -0.00821 -0.00098 0.00000 -0.10938
313 9PX 0.00000 0.00000 0.00000 -0.01068 0.00000
314 9PY 0.01204 -0.00190 0.00417 0.00000 -0.29591
315 9PZ -0.01006 0.00294 -0.01170 0.00000 -0.20665
316 10D 0 0.00014 -0.00053 -0.00019 0.00000 0.00013
317 10D+1 0.00000 0.00000 0.00000 -0.00008 0.00000
318 10D-1 -0.00063 -0.00017 0.00070 0.00000 -0.00032
319 10D+2 0.00064 -0.00046 -0.00073 0.00000 0.00007
320 10D-2 0.00000 0.00000 0.00000 -0.00048 0.00000
321 11D 0 -0.00033 -0.00113 -0.00076 0.00000 0.00445
322 11D+1 0.00000 0.00000 0.00000 -0.00005 0.00000
323 11D-1 -0.00286 -0.00033 0.00183 0.00000 -0.01035
324 11D+2 0.00157 -0.00105 -0.00134 0.00000 0.01273
325 11D-2 0.00000 0.00000 0.00000 -0.00119 0.00000
326 12D 0 -0.00213 -0.00037 -0.00088 0.00000 -0.00933
327 12D+1 0.00000 0.00000 0.00000 0.00091 0.00000
328 12D-1 -0.00478 -0.00122 -0.00043 0.00000 -0.00687
329 12D+2 0.00098 0.00064 -0.00085 0.00000 -0.01616
330 12D-2 0.00000 0.00000 0.00000 -0.00102 0.00000
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332 13F+1 0.00000 0.00000 0.00000 0.00012 0.00000
333 13F-1 0.00002 -0.00022 0.00004 0.00000 0.00009
334 13F+2 0.00034 -0.00004 -0.00035 0.00000 0.00107
335 13F-2 0.00000 0.00000 0.00000 -0.00004 0.00000
336 13F+3 0.00000 0.00000 0.00000 0.00024 0.00000
337 13F-3 0.00040 -0.00015 -0.00034 0.00000 0.00075
338 14F 0 0.00019 0.00008 -0.00008 0.00000 -0.00831
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340 14F-1 -0.00017 -0.00010 0.00024 0.00000 0.00108
341 14F+2 0.00096 0.00022 -0.00078 0.00000 -0.00194
342 14F-2 0.00000 0.00000 0.00000 -0.00001 0.00000
343 14F+3 0.00000 0.00000 0.00000 -0.00024 0.00000
344 14F-3 0.00026 -0.00019 0.00000 0.00000 -0.00583
345 7 H 1S 0.02044 0.01850 -0.02363 0.04093 0.00147
346 2S 0.05340 0.05139 -0.06231 0.10792 0.01396
347 3S 0.04865 0.06097 -0.07088 0.12276 -0.85678
348 4S -0.02472 0.02035 -0.02191 0.03795 -1.91009
349 5S -0.00274 0.00033 0.00139 -0.00241 -0.74444
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351 6PY 0.00043 -0.00075 -0.00045 -0.00165 -0.00147
352 6PZ 0.00068 -0.00117 -0.00065 0.00112 0.00039
353 7PX 0.00524 0.00524 -0.00518 0.00552 -0.01850
354 7PY 0.00099 -0.00302 -0.00046 -0.00518 0.01068
355 7PZ 0.00335 -0.00231 -0.00214 0.00371 -0.00684
356 8PX 0.00327 0.00344 -0.00418 -0.00281 -0.18280
357 8PY 0.00876 -0.00199 -0.00763 -0.00418 0.10554
358 8PZ 0.00371 -0.00821 0.00049 -0.00085 -0.10938
359 9PX -0.00610 -0.00165 -0.00643 0.00046 -0.25627
360 9PY 0.00147 0.00095 -0.00697 -0.00643 0.14796
361 9PZ 0.00503 0.00294 0.00585 -0.01013 -0.20665
362 10D 0 -0.00007 -0.00053 0.00010 -0.00017 0.00013
363 10D+1 0.00032 -0.00015 -0.00034 0.00050 -0.00028
364 10D-1 -0.00008 0.00009 0.00011 -0.00034 0.00016
365 10D+2 0.00052 0.00023 -0.00054 0.00011 -0.00004
366 10D-2 -0.00007 -0.00040 0.00011 -0.00067 0.00006
367 11D 0 0.00017 -0.00113 0.00038 -0.00066 0.00445
368 11D+1 0.00157 -0.00029 -0.00081 0.00136 -0.00897
369 11D-1 -0.00013 0.00017 0.00042 -0.00081 0.00518
370 11D+2 0.00130 0.00052 -0.00122 0.00006 -0.00636
371 11D-2 -0.00016 -0.00091 0.00006 -0.00130 0.01102
372 12D 0 0.00107 -0.00037 0.00044 -0.00076 -0.00933
373 12D+1 0.00220 -0.00106 0.00058 -0.00009 -0.00595
374 12D-1 -0.00098 0.00061 0.00057 0.00058 0.00343
375 12D+2 0.00079 -0.00032 -0.00098 -0.00007 0.00808
376 12D-2 -0.00011 0.00056 -0.00007 -0.00089 -0.01400
377 13F 0 -0.00014 -0.00013 0.00017 -0.00030 0.00081
378 13F+1 -0.00001 -0.00019 0.00003 0.00006 0.00008
379 13F-1 0.00001 0.00011 0.00010 0.00003 -0.00004
380 13F+2 0.00012 0.00002 -0.00011 0.00014 -0.00053
381 13F-2 -0.00013 -0.00004 0.00014 -0.00027 0.00092
382 13F+3 0.00019 0.00000 -0.00021 -0.00012 0.00000
383 13F-3 -0.00020 -0.00015 0.00017 -0.00029 0.00075
384 14F 0 -0.00010 0.00008 0.00004 -0.00007 -0.00831
385 14F+1 0.00025 -0.00008 -0.00011 0.00017 0.00094
386 14F-1 0.00027 0.00005 0.00004 -0.00011 -0.00054
387 14F+2 0.00019 -0.00011 -0.00020 0.00033 0.00097
388 14F-2 -0.00044 0.00019 0.00033 -0.00059 -0.00168
389 14F+3 -0.00023 0.00000 0.00020 0.00012 0.00000
390 14F-3 -0.00013 -0.00019 0.00000 0.00000 -0.00583
391 8 H 1S 0.02044 0.01850 -0.02363 -0.04093 0.00147
392 2S 0.05340 0.05139 -0.06231 -0.10792 0.01396
393 3S 0.04865 0.06097 -0.07088 -0.12276 -0.85678
394 4S -0.02472 0.02035 -0.02191 -0.03795 -1.91009
395 5S -0.00274 0.00033 0.00139 0.00241 -0.74444
396 6PX -0.00154 -0.00130 0.00165 0.00146 -0.00255
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398 6PZ 0.00068 -0.00117 -0.00065 -0.00112 0.00039
399 7PX -0.00524 -0.00524 0.00518 0.00552 0.01850
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401 7PZ 0.00335 -0.00231 -0.00214 -0.00371 -0.00684
402 8PX -0.00327 -0.00344 0.00418 -0.00281 0.18280
403 8PY 0.00876 -0.00199 -0.00763 0.00418 0.10554
404 8PZ 0.00371 -0.00821 0.00049 0.00085 -0.10938
405 9PX 0.00610 0.00165 0.00643 0.00046 0.25627
406 9PY 0.00147 0.00095 -0.00697 0.00643 0.14796
407 9PZ 0.00503 0.00294 0.00585 0.01013 -0.20665
408 10D 0 -0.00007 -0.00053 0.00010 0.00017 0.00013
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410 10D-1 -0.00008 0.00009 0.00011 0.00034 0.00016
411 10D+2 0.00052 0.00023 -0.00054 -0.00011 -0.00004
412 10D-2 0.00007 0.00040 -0.00011 -0.00067 -0.00006
413 11D 0 0.00017 -0.00113 0.00038 0.00066 0.00445
414 11D+1 -0.00157 0.00029 0.00081 0.00136 0.00897
415 11D-1 -0.00013 0.00017 0.00042 0.00081 0.00518
416 11D+2 0.00130 0.00052 -0.00122 -0.00006 -0.00636
417 11D-2 0.00016 0.00091 -0.00006 -0.00130 -0.01102
418 12D 0 0.00107 -0.00037 0.00044 0.00076 -0.00933
419 12D+1 -0.00220 0.00106 -0.00058 -0.00009 0.00595
420 12D-1 -0.00098 0.00061 0.00057 -0.00058 0.00343
421 12D+2 0.00079 -0.00032 -0.00098 0.00007 0.00808
422 12D-2 0.00011 -0.00056 0.00007 -0.00089 0.01400
423 13F 0 -0.00014 -0.00013 0.00017 0.00030 0.00081
424 13F+1 0.00001 0.00019 -0.00003 0.00006 -0.00008
425 13F-1 0.00001 0.00011 0.00010 -0.00003 -0.00004
426 13F+2 0.00012 0.00002 -0.00011 -0.00014 -0.00053
427 13F-2 0.00013 0.00004 -0.00014 -0.00027 -0.00092
428 13F+3 -0.00019 0.00000 0.00021 -0.00012 0.00000
429 13F-3 -0.00020 -0.00015 0.00017 0.00029 0.00075
430 14F 0 -0.00010 0.00008 0.00004 0.00007 -0.00831
431 14F+1 -0.00025 0.00008 0.00011 0.00017 -0.00094
432 14F-1 0.00027 0.00005 0.00004 0.00011 -0.00054
433 14F+2 0.00019 -0.00011 -0.00020 -0.00033 0.00097
434 14F-2 0.00044 -0.00019 -0.00033 -0.00059 0.00168
435 14F+3 0.00023 0.00000 -0.00020 0.00012 0.00000
436 14F-3 -0.00013 -0.00019 0.00000 0.00000 -0.00583
11 12 13 14 15
(A2U)--V (EU)--V (EU)--V (EG)--V (EG)--V
Eigenvalues -- 0.03797 0.03886 0.03886 0.06178 0.06178
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2 2S 0.01360 0.00000 0.00000 0.00000 0.00000
3 3S -0.01006 0.00000 0.00000 0.00000 0.00000
4 4S 0.10953 0.00000 0.00000 0.00000 0.00000
5 5S 2.74378 0.00000 0.00000 0.00000 0.00000
6 6S -0.27664 0.00000 0.00000 0.00000 0.00000
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12 8PZ -0.01204 0.00000 0.00000 0.00000 0.00000
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14 9PY 0.00000 0.00000 -0.36344 -0.52591 0.00000
15 9PZ 0.52523 0.00000 0.00000 0.00000 0.00000
16 10PX 0.00000 2.28575 0.00000 0.00000 3.13033
17 10PY 0.00000 0.00000 -2.28575 -3.13033 0.00000
18 10PZ 2.28408 0.00000 0.00000 0.00000 0.00000
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21 11PZ 2.71089 0.00000 0.00000 0.00000 0.00000
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25 12D+2 0.00000 0.00000 -0.00036 -0.00067 0.00000
26 12D-2 0.00000 0.00036 0.00000 0.00000 0.00067
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28 13D+1 0.00000 0.00490 0.00000 0.00000 0.01877
29 13D-1 0.00000 0.00000 -0.00490 -0.01877 0.00000
30 13D+2 0.00000 0.00000 0.00771 0.01710 0.00000
31 13D-2 0.00000 -0.00771 0.00000 0.00000 -0.01710
32 14D 0 -0.28279 0.00000 0.00000 0.00000 0.00000
33 14D+1 0.00000 0.17091 0.00000 0.00000 0.10272
34 14D-1 0.00000 0.00000 -0.17091 -0.10272 0.00000
35 14D+2 0.00000 0.00000 0.19872 0.10997 0.00000
36 14D-2 0.00000 -0.19872 0.00000 0.00000 -0.10997
37 15D 0 -0.36335 0.00000 0.00000 0.00000 0.00000
38 15D+1 0.00000 0.03901 0.00000 0.00000 0.38858
39 15D-1 0.00000 0.00000 -0.03901 -0.38858 0.00000
40 15D+2 0.00000 0.00000 0.49524 0.41070 0.00000
41 15D-2 0.00000 -0.49524 0.00000 0.00000 -0.41070
42 16F 0 -0.00125 0.00000 0.00000 0.00000 0.00000
43 16F+1 0.00000 0.00054 0.00000 0.00000 -0.00171
44 16F-1 0.00000 0.00000 -0.00054 0.00171 0.00000
45 16F+2 0.00000 0.00000 0.00038 0.00087 0.00000
46 16F-2 0.00000 -0.00038 0.00000 0.00000 -0.00087
47 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000
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380 13F+2 0.00005 0.00010 0.00058 -0.00045 -0.00012
381 13F-2 -0.00009 -0.00069 -0.00010 0.00012 0.00059
382 13F+3 0.00000 -0.00017 0.00029 -0.00068 0.00039
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420 12D-1 0.01388 0.01490 0.05363 0.01442 0.01279
421 12D+2 0.00178 0.02416 0.02016 -0.04363 -0.01319
422 12D-2 0.00308 0.00774 -0.02416 0.01319 0.02840
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424 13F+1 0.00022 0.00039 -0.00006 -0.00035 0.00052
425 13F-1 0.00013 0.00006 -0.00033 -0.00011 0.00035
426 13F+2 0.00005 -0.00010 0.00058 -0.00045 0.00012
427 13F-2 0.00009 -0.00069 0.00010 -0.00012 0.00059
428 13F+3 0.00000 -0.00017 -0.00029 0.00068 0.00039
429 13F-3 -0.00063 -0.00033 0.00019 0.00037 -0.00063
430 14F 0 0.00353 -0.00734 0.00424 -0.00188 0.00325
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432 14F-1 0.00393 0.00856 0.00314 0.00268 0.00218
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434 14F-2 -0.00158 0.00286 -0.00503 0.00123 -0.00238
435 14F+3 0.00000 -0.00593 -0.01027 0.00142 0.00082
436 14F-3 0.00123 0.00026 -0.00015 -0.00223 0.00386
16 17 18 19 20
(A1G)--V (EG)--V (EG)--V (A2U)--V (EU)--V
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239 13F 0 0.00089 -0.00065 -0.00112 -0.00077 0.00001
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242 13F+2 -0.00051 -0.00031 0.00104 0.00037 0.00044
243 13F-2 -0.00088 0.00104 0.00089 0.00064 -0.00086
244 13F+3 0.00000 0.00019 -0.00011 0.00000 -0.00055
245 13F-3 -0.00062 -0.00052 -0.00090 0.00006 -0.00140
246 14F 0 -0.00298 -0.00219 -0.00379 -0.00363 -0.02477
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248 14F-1 0.00488 -0.00093 0.00512 -0.00016 0.01610
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250 14F-2 -0.00291 0.00485 0.00636 -0.00086 0.01591
251 14F+3 0.00000 0.00763 -0.00441 0.00000 -0.01177
252 14F-3 -0.00089 -0.00330 -0.00571 -0.00087 -0.00716
253 5 H 1S -0.00019 0.00133 -0.00231 0.00186 -0.00210
254 2S -0.02725 0.02360 -0.04087 -0.01595 -0.04480
255 3S -0.28041 -0.02283 0.03955 -0.44352 -0.96036
256 4S -0.54883 -0.68787 1.19142 0.06596 -4.98136
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283 12D+2 -0.00567 0.01700 0.07824 0.00720 0.10927
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287 13F-1 0.00072 -0.00006 0.00074 -0.00037 -0.00044
288 13F+2 -0.00051 -0.00031 -0.00104 0.00037 -0.00044
289 13F-2 0.00088 -0.00104 0.00089 -0.00064 -0.00086
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291 13F-3 -0.00062 -0.00052 0.00090 0.00006 0.00140
292 14F 0 -0.00298 -0.00219 0.00379 -0.00363 0.02477
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295 14F+2 -0.00168 0.00076 -0.00485 -0.00049 -0.01366
296 14F-2 0.00291 -0.00485 0.00636 0.00086 0.01591
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298 14F-3 -0.00089 -0.00330 0.00571 -0.00087 0.00716
299 6 H 1S -0.00019 -0.00266 0.00000 -0.00186 0.00000
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320 10D-2 0.00000 0.00000 -0.00046 0.00000 0.00075
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325 11D-2 0.00000 0.00000 0.00379 0.00000 -0.01944
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328 12D-1 0.05830 0.13349 0.00000 -0.02701 0.00000
329 12D+2 0.01135 -0.11852 0.00000 0.01441 0.00000
330 12D-2 0.00000 0.00000 0.06217 0.00000 -0.10387
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335 13F-2 0.00000 0.00000 0.00092 0.00000 -0.00163
336 13F+3 0.00000 0.00000 -0.00022 0.00000 0.00110
337 13F-3 0.00062 -0.00103 0.00000 0.00006 0.00000
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340 14F-1 0.00977 -0.00793 0.00000 0.00031 0.00000
341 14F+2 -0.00336 -0.00916 0.00000 0.00099 0.00000
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343 14F+3 0.00000 0.00000 -0.00881 0.00000 0.02354
344 14F-3 0.00089 -0.00660 0.00000 -0.00087 0.00000
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346 2S -0.02725 0.02360 -0.04087 0.01595 0.04480
347 3S -0.28041 -0.02283 0.03955 0.44352 0.96036
348 4S -0.54883 -0.68787 1.19142 -0.06596 4.98136
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366 10D-2 0.00014 -0.00105 0.00137 -0.00023 -0.00086
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368 11D+1 0.00743 -0.00698 0.01613 0.01030 -0.00140
369 11D-1 -0.00429 0.00807 -0.00698 -0.00594 -0.00479
370 11D+2 -0.00370 -0.00006 0.00667 0.00036 -0.01210
371 11D-2 0.00641 0.00667 -0.00776 -0.00063 0.00151
372 12D 0 0.07916 0.04057 -0.07027 0.00270 0.20757
373 12D+1 0.05049 -0.05990 0.09890 -0.02339 -0.16138
374 12D-1 -0.02915 0.02973 -0.05990 0.01350 0.03242
375 12D+2 -0.00567 0.01700 0.07824 -0.00720 -0.10927
376 12D-2 0.00983 0.07824 -0.07335 0.01248 0.08539
377 13F 0 -0.00089 0.00065 -0.00112 -0.00077 -0.00001
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379 13F-1 -0.00072 0.00006 -0.00074 -0.00037 -0.00044
380 13F+2 0.00051 0.00031 0.00104 0.00037 -0.00044
381 13F-2 -0.00088 0.00104 -0.00089 -0.00064 -0.00086
382 13F+3 0.00000 0.00019 0.00011 0.00000 -0.00055
383 13F-3 0.00062 0.00052 -0.00090 0.00006 0.00140
384 14F 0 0.00298 0.00219 -0.00379 -0.00363 0.02477
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386 14F-1 -0.00488 0.00093 0.00512 -0.00016 -0.01610
387 14F+2 0.00168 -0.00076 0.00485 -0.00049 -0.01366
388 14F-2 -0.00291 0.00485 -0.00636 0.00086 0.01591
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390 14F-3 0.00089 0.00330 -0.00571 -0.00087 0.00716
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393 3S -0.28041 -0.02283 -0.03955 0.44352 -0.96036
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420 12D-1 -0.02915 0.02973 0.05990 0.01350 -0.03242
421 12D+2 -0.00567 0.01700 -0.07824 -0.00720 0.10927
422 12D-2 -0.00983 -0.07824 -0.07335 -0.01248 0.08539
423 13F 0 -0.00089 0.00065 0.00112 -0.00077 0.00001
424 13F+1 -0.00125 0.00074 0.00091 -0.00064 0.00096
425 13F-1 -0.00072 0.00006 0.00074 -0.00037 0.00044
426 13F+2 0.00051 0.00031 -0.00104 0.00037 0.00044
427 13F-2 0.00088 -0.00104 -0.00089 0.00064 -0.00086
428 13F+3 0.00000 -0.00019 0.00011 0.00000 -0.00055
429 13F-3 0.00062 0.00052 0.00090 0.00006 -0.00140
430 14F 0 0.00298 0.00219 0.00379 -0.00363 -0.02477
431 14F+1 -0.00846 -0.00512 -0.00498 -0.00027 0.01356
432 14F-1 -0.00488 0.00093 -0.00512 -0.00016 0.01610
433 14F+2 0.00168 -0.00076 -0.00485 -0.00049 0.01366
434 14F-2 0.00291 -0.00485 -0.00636 -0.00086 0.01591
435 14F+3 0.00000 -0.00763 0.00441 0.00000 -0.01177
436 14F-3 0.00089 0.00330 0.00571 -0.00087 -0.00716
21 22 23 24 25
(EU)--V (A1G)--V (A2U)--V (EG)--V (EG)--V
Eigenvalues -- 0.12522 0.12609 0.15851 0.19209 0.19209
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34 14D-1 -0.35007 0.00000 0.00000 -0.42326 0.00000
35 14D+2 0.27517 0.00000 0.00000 0.32267 0.00000
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54 17F+3 0.00000 0.00000 0.00000 0.00000 0.00000
55 17F-3 0.00000 -0.08259 -0.10500 0.00000 0.00000
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60 18F-2 0.00000 0.00000 0.00000 0.00000 0.05627
61 18F+3 0.00000 0.00000 0.00000 0.00000 0.00000
62 18F-3 0.00000 -0.36175 -0.57537 0.00000 0.00000
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67 19G-2 0.00000 0.00000 0.00000 0.00000 -0.00058
68 19G+3 0.00000 0.00000 0.00000 0.00000 0.00000
69 19G-3 0.00000 -0.01227 -0.00905 0.00000 0.00000
70 19G+4 -0.00496 0.00000 0.00000 -0.00439 0.00000
71 19G-4 0.00000 0.00000 0.00000 0.00000 -0.00439
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74 20G-1 -0.00485 0.00000 0.00000 0.03195 0.00000
75 20G+2 -0.00969 0.00000 0.00000 0.00346 0.00000
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77 20G+3 0.00000 0.00000 0.00000 0.00000 0.00000
78 20G-3 0.00000 0.02557 -0.03712 0.00000 0.00000
79 20G+4 -0.02853 0.00000 0.00000 -0.00511 0.00000
80 20G-4 0.00000 0.00000 0.00000 0.00000 -0.00511
81 2 C 1S 0.00000 0.02004 -0.01798 0.00000 0.00000
82 2S 0.00000 -0.03652 0.03748 0.00000 0.00000
83 3S 0.00000 -0.24950 0.31746 0.00000 0.00000
84 4S 0.00000 0.25903 -0.34874 0.00000 0.00000
85 5S 0.00000 13.63195 -24.32366 0.00000 0.00000
86 6S 0.00000 8.11902 -39.82270 0.00000 0.00000
87 7PX 0.00000 0.00000 0.00000 0.00000 0.02678
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91 8PY 0.08603 0.00000 0.00000 -0.07857 0.00000
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283 12D+2 -0.14592 -0.04338 0.36343 0.03243 -0.02896
284 12D-2 0.21188 0.14592 0.03243 0.32598 0.05017
285 13F 0 -0.00244 -0.00141 -0.00063 0.00110 0.00246
286 13F+1 0.00022 -0.00073 0.00199 -0.00221 -0.00235
287 13F-1 0.00073 -0.00106 0.00009 0.00199 0.00136
288 13F+2 0.00225 0.00047 -0.00010 -0.00057 -0.00136
289 13F-2 -0.00307 -0.00225 -0.00057 0.00056 0.00236
290 13F+3 0.00026 -0.00045 -0.00093 -0.00054 0.00000
291 13F-3 -0.00215 -0.00124 0.00184 -0.00319 -0.00077
292 14F 0 -0.02104 -0.01215 0.00242 -0.00420 -0.01544
293 14F+1 0.01151 0.01722 0.01810 -0.05393 -0.01636
294 14F-1 -0.01722 0.00838 -0.03303 0.01810 0.00945
295 14F+2 0.00420 0.02598 -0.04189 -0.02837 -0.00100
296 14F-2 -0.03083 -0.00420 -0.02837 -0.00913 0.00173
297 14F+3 -0.00920 0.01594 -0.01397 -0.00807 0.00000
298 14F-3 -0.02497 -0.01441 0.01467 -0.02542 -0.00834
299 6 H 1S 0.00000 0.00712 0.00202 0.00000 0.00706
300 2S 0.00000 0.06536 -0.01116 0.00000 -0.03663
301 3S 0.00000 -2.32259 -0.17843 0.00000 0.10647
302 4S 0.00000 -9.62244 -2.75401 0.00000 0.38480
303 5S 0.00000 0.40005 -0.40849 0.00000 -0.02016
304 6PX 0.00083 0.00000 0.00000 -0.00267 0.00000
305 6PY 0.00000 0.00238 0.00006 0.00000 0.00007
306 6PZ 0.00000 -0.00015 -0.00178 0.00000 0.00331
307 7PX -0.01227 0.00000 0.00000 0.01176 0.00000
308 7PY 0.00000 -0.02981 0.00262 0.00000 -0.01579
309 7PZ 0.00000 -0.01278 -0.00351 0.00000 -0.01083
310 8PX 0.19754 0.00000 0.00000 -0.49963 0.00000
311 8PY 0.00000 -0.94225 0.35084 0.00000 -0.02633
312 8PZ 0.00000 -0.46543 -0.48757 0.00000 0.26011
313 9PX -0.03918 0.00000 0.00000 -4.19913 0.00000
314 9PY 0.00000 -4.34376 2.43687 0.00000 -0.40829
315 9PZ 0.00000 -2.97301 -2.56890 0.00000 1.16457
316 10D 0 0.00000 0.00001 0.00239 0.00000 -0.00079
317 10D+1 -0.00009 0.00000 0.00000 0.00232 0.00000
318 10D-1 0.00000 0.00297 0.00186 0.00000 -0.00055
319 10D+2 0.00000 -0.00247 0.00291 0.00000 0.00005
320 10D-2 0.00017 0.00000 0.00000 0.00289 0.00000
321 11D 0 0.00000 0.01065 -0.04171 0.00000 0.01565
322 11D+1 0.00025 0.00000 0.00000 -0.02776 0.00000
323 11D-1 0.00000 -0.06591 -0.03626 0.00000 0.02142
324 11D+2 0.00000 0.05546 -0.04677 0.00000 0.00738
325 11D-2 -0.00386 0.00000 0.00000 -0.03178 0.00000
326 12D 0 0.00000 -0.04756 -0.46404 0.00000 0.17616
327 12D+1 -0.17534 0.00000 0.00000 -0.38711 0.00000
328 12D-1 0.00000 -0.38693 -0.26632 0.00000 0.10050
329 12D+2 0.00000 0.29613 -0.30725 0.00000 0.05793
330 12D-2 0.04086 0.00000 0.00000 -0.38215 0.00000
331 13F 0 0.00000 0.00282 0.00127 0.00000 -0.00246
332 13F+1 0.00148 0.00000 0.00000 0.00124 0.00000
333 13F-1 0.00000 0.00021 -0.00336 0.00000 0.00271
334 13F+2 0.00000 0.00436 0.00089 0.00000 -0.00273
335 13F-2 0.00082 0.00000 0.00000 -0.00044 0.00000
336 13F+3 -0.00052 0.00000 0.00000 0.00108 0.00000
337 13F-3 0.00000 0.00248 -0.00369 0.00000 0.00077
338 14F 0 0.00000 0.02430 -0.00485 0.00000 0.01544
339 14F+1 -0.01832 0.00000 0.00000 -0.02258 0.00000
340 14F-1 0.00000 -0.02145 -0.06437 0.00000 0.01889
341 14F+2 0.00000 0.03325 0.00725 0.00000 -0.00200
342 14F-2 -0.02355 0.00000 0.00000 -0.05827 0.00000
343 14F+3 0.01841 0.00000 0.00000 0.01613 0.00000
344 14F-3 0.00000 0.02883 -0.02935 0.00000 0.00834
345 7 H 1S -0.00616 -0.00356 -0.00101 0.00175 0.00706
346 2S -0.05660 -0.03268 0.00558 -0.00966 -0.03663
347 3S 2.01142 1.16130 0.08921 -0.15452 0.10647
348 4S 8.33328 4.81122 1.37700 -2.38504 0.38480
349 5S -0.34646 -0.20003 0.20424 -0.35376 -0.02016
350 6PX -0.00158 -0.00139 -0.00118 -0.00062 0.00006
351 6PY 0.00139 -0.00003 -0.00199 -0.00118 -0.00003
352 6PZ 0.00013 0.00008 0.00089 -0.00154 0.00331
353 7PX 0.01929 0.01822 0.00396 0.00491 -0.01368
354 7PY -0.01822 0.00175 0.00947 0.00396 0.00790
355 7PZ 0.01107 0.00639 0.00176 -0.00304 -0.01083
356 8PX 0.75607 0.32247 -0.36827 0.13822 -0.02280
357 8PY -0.32247 -0.38372 -0.28701 -0.36827 0.01316
358 8PZ 0.40307 0.23271 0.24378 -0.42225 0.26011
359 9PX 3.24803 1.89787 -2.87348 0.77787 -0.35359
360 9PY -1.89787 -1.05655 -2.54013 -2.87348 0.20415
361 9PZ 2.57470 1.48650 1.28445 -2.22473 1.16457
362 10D 0 -0.00001 0.00000 -0.00120 0.00207 -0.00079
363 10D+1 -0.00225 -0.00125 0.00020 0.00197 -0.00048
364 10D-1 0.00125 0.00081 0.00220 0.00020 0.00028
365 10D+2 -0.00099 -0.00074 0.00290 -0.00001 -0.00002
366 10D-2 0.00189 0.00099 -0.00001 0.00291 0.00004
367 11D 0 -0.00923 -0.00533 0.02085 -0.03612 0.01565
368 11D+1 0.04949 0.02843 0.00368 -0.03413 0.01855
369 11D-1 -0.02843 -0.01666 -0.02988 0.00368 -0.01071
370 11D+2 0.02235 0.01676 -0.03553 0.00649 -0.00369
371 11D-2 -0.04256 -0.02235 0.00649 -0.04302 0.00639
372 12D 0 0.04119 0.02378 0.23202 -0.40187 0.17616
373 12D+1 0.24636 0.24347 -0.05230 -0.29652 0.08703
374 12D-1 -0.24347 0.03478 -0.35691 -0.05230 -0.05025
375 12D+2 0.14592 0.04338 -0.36343 -0.03243 -0.02896
376 12D-2 -0.21188 -0.14592 -0.03243 -0.32598 0.05017
377 13F 0 -0.00244 -0.00141 -0.00063 0.00110 -0.00246
378 13F+1 0.00022 -0.00073 0.00199 -0.00221 0.00235
379 13F-1 0.00073 -0.00106 0.00009 0.00199 -0.00136
380 13F+2 0.00225 0.00047 -0.00010 -0.00057 0.00136
381 13F-2 -0.00307 -0.00225 -0.00057 0.00056 -0.00236
382 13F+3 0.00026 -0.00045 -0.00093 -0.00054 0.00000
383 13F-3 -0.00215 -0.00124 0.00184 -0.00319 0.00077
384 14F 0 -0.02104 -0.01215 0.00242 -0.00420 0.01544
385 14F+1 0.01151 0.01722 0.01810 -0.05393 0.01636
386 14F-1 -0.01722 0.00838 -0.03303 0.01810 -0.00945
387 14F+2 0.00420 0.02598 -0.04189 -0.02837 0.00100
388 14F-2 -0.03083 -0.00420 -0.02837 -0.00913 -0.00173
389 14F+3 -0.00920 0.01594 -0.01397 -0.00807 0.00000
390 14F-3 -0.02497 -0.01441 0.01467 -0.02542 0.00834
391 8 H 1S 0.00616 -0.00356 -0.00101 -0.00175 0.00706
392 2S 0.05660 -0.03268 0.00558 0.00966 -0.03663
393 3S -2.01142 1.16130 0.08921 0.15452 0.10647
394 4S -8.33328 4.81122 1.37700 2.38504 0.38480
395 5S 0.34646 -0.20003 0.20424 0.35376 -0.02016
396 6PX -0.00158 0.00139 0.00118 -0.00062 -0.00006
397 6PY -0.00139 -0.00003 -0.00199 0.00118 -0.00003
398 6PZ -0.00013 0.00008 0.00089 0.00154 0.00331
399 7PX 0.01929 -0.01822 -0.00396 0.00491 0.01368
400 7PY 0.01822 0.00175 0.00947 -0.00396 0.00790
401 7PZ -0.01107 0.00639 0.00176 0.00304 -0.01083
402 8PX 0.75607 -0.32247 0.36827 0.13822 0.02280
403 8PY 0.32247 -0.38372 -0.28701 0.36827 0.01316
404 8PZ -0.40307 0.23271 0.24378 0.42225 0.26011
405 9PX 3.24803 -1.89787 2.87348 0.77787 0.35359
406 9PY 1.89787 -1.05655 -2.54013 2.87348 0.20415
407 9PZ -2.57470 1.48650 1.28445 2.22473 1.16457
408 10D 0 0.00001 0.00000 -0.00120 -0.00207 -0.00079
409 10D+1 -0.00225 0.00125 -0.00020 0.00197 0.00048
410 10D-1 -0.00125 0.00081 0.00220 -0.00020 0.00028
411 10D+2 0.00099 -0.00074 0.00290 0.00001 -0.00002
412 10D-2 0.00189 -0.00099 0.00001 0.00291 -0.00004
413 11D 0 0.00923 -0.00533 0.02085 0.03612 0.01565
414 11D+1 0.04949 -0.02843 -0.00368 -0.03413 -0.01855
415 11D-1 0.02843 -0.01666 -0.02988 -0.00368 -0.01071
416 11D+2 -0.02235 0.01676 -0.03553 -0.00649 -0.00369
417 11D-2 -0.04256 0.02235 -0.00649 -0.04302 -0.00639
418 12D 0 -0.04119 0.02378 0.23202 0.40187 0.17616
419 12D+1 0.24636 -0.24347 0.05230 -0.29652 -0.08703
420 12D-1 0.24347 0.03478 -0.35691 0.05230 -0.05025
421 12D+2 -0.14592 0.04338 -0.36343 0.03243 -0.02896
422 12D-2 -0.21188 0.14592 0.03243 -0.32598 -0.05017
423 13F 0 0.00244 -0.00141 -0.00063 -0.00110 -0.00246
424 13F+1 0.00022 0.00073 -0.00199 -0.00221 -0.00235
425 13F-1 -0.00073 -0.00106 0.00009 -0.00199 -0.00136
426 13F+2 -0.00225 0.00047 -0.00010 0.00057 0.00136
427 13F-2 -0.00307 0.00225 0.00057 0.00056 0.00236
428 13F+3 0.00026 0.00045 0.00093 -0.00054 0.00000
429 13F-3 0.00215 -0.00124 0.00184 0.00319 0.00077
430 14F 0 0.02104 -0.01215 0.00242 0.00420 0.01544
431 14F+1 0.01151 -0.01722 -0.01810 -0.05393 -0.01636
432 14F-1 0.01722 0.00838 -0.03303 -0.01810 -0.00945
433 14F+2 -0.00420 0.02598 -0.04189 0.02837 0.00100
434 14F-2 -0.03083 0.00420 0.02837 -0.00913 0.00173
435 14F+3 -0.00920 -0.01594 0.01397 -0.00807 0.00000
436 14F-3 0.02497 -0.01441 0.01467 0.02542 0.00834
31 32 33 34 35
(A2U)--V (A1U)--V (A2U)--V (EG)--V (EG)--V
Eigenvalues -- 0.26136 0.26216 0.26875 0.26904 0.26904
1 1 C 1S -0.00271 0.00000 0.01778 0.00000 0.00000
2 2S 0.00010 0.00000 -0.03881 0.00000 0.00000
3 3S 0.05923 0.00000 -0.21472 0.00000 0.00000
4 4S -2.59600 0.00000 0.80656 0.00000 0.00000
5 5S 1.30650 0.00000 9.02346 0.00000 0.00000
6 6S 22.29276 0.00000 17.51044 0.00000 0.00000
7 7PX 0.00000 0.00000 0.00000 0.01852 0.00000
8 7PY 0.00000 0.00000 0.00000 0.00000 0.01852
9 7PZ 0.01013 0.00000 0.01394 0.00000 0.00000
10 8PX 0.00000 0.00000 0.00000 -0.03946 0.00000
11 8PY 0.00000 0.00000 0.00000 0.00000 -0.03946
12 8PZ -0.01236 0.00000 0.12323 0.00000 0.00000
13 9PX 0.00000 0.00000 0.00000 -0.03315 0.00000
14 9PY 0.00000 0.00000 0.00000 0.00000 -0.03315
15 9PZ -1.23075 0.00000 -1.58624 0.00000 0.00000
16 10PX 0.00000 0.00000 0.00000 5.44679 0.00000
17 10PY 0.00000 0.00000 0.00000 0.00000 5.44679
18 10PZ -1.92439 0.00000 -14.36352 0.00000 0.00000
19 11PX 0.00000 0.00000 0.00000 5.65112 0.00000
20 11PY 0.00000 0.00000 0.00000 0.00000 5.65112
21 11PZ -4.95934 0.00000 -9.14179 0.00000 0.00000
22 12D 0 0.00065 0.00000 -0.00636 0.00000 0.00000
23 12D+1 0.00000 0.00000 0.00000 -0.00203 0.00000
24 12D-1 0.00000 0.00000 0.00000 0.00000 -0.00203
25 12D+2 0.00000 0.00000 0.00000 0.00000 -0.00402
26 12D-2 0.00000 0.00000 0.00000 -0.00402 0.00000
27 13D 0 0.03934 0.00000 0.08613 0.00000 0.00000
28 13D+1 0.00000 0.00000 0.00000 -0.00182 0.00000
29 13D-1 0.00000 0.00000 0.00000 0.00000 -0.00182
30 13D+2 0.00000 0.00000 0.00000 0.00000 0.03282
31 13D-2 0.00000 0.00000 0.00000 0.03282 0.00000
32 14D 0 -0.13722 0.00000 1.30704 0.00000 0.00000
33 14D+1 0.00000 0.00000 0.00000 -0.15971 0.00000
34 14D-1 0.00000 0.00000 0.00000 0.00000 -0.15971
35 14D+2 0.00000 0.00000 0.00000 0.00000 0.25871
36 14D-2 0.00000 0.00000 0.00000 0.25871 0.00000
37 15D 0 -1.31713 0.00000 3.87802 0.00000 0.00000
38 15D+1 0.00000 0.00000 0.00000 -1.87727 0.00000
39 15D-1 0.00000 0.00000 0.00000 0.00000 -1.87727
40 15D+2 0.00000 0.00000 0.00000 0.00000 -0.93734
41 15D-2 0.00000 0.00000 0.00000 -0.93734 0.00000
42 16F 0 0.00565 0.00000 0.00196 0.00000 0.00000
43 16F+1 0.00000 0.00000 0.00000 -0.00401 0.00000
44 16F-1 0.00000 0.00000 0.00000 0.00000 -0.00401
45 16F+2 0.00000 0.00000 0.00000 0.00000 0.00194
46 16F-2 0.00000 0.00000 0.00000 0.00194 0.00000
47 16F+3 0.00000 -0.00308 0.00000 0.00000 0.00000
48 16F-3 0.00379 0.00000 0.00046 0.00000 0.00000
49 17F 0 -0.04432 0.00000 -0.12004 0.00000 0.00000
50 17F+1 0.00000 0.00000 0.00000 0.11665 0.00000
51 17F-1 0.00000 0.00000 0.00000 0.00000 0.11665
52 17F+2 0.00000 0.00000 0.00000 0.00000 -0.04223
53 17F-2 0.00000 0.00000 0.00000 -0.04223 0.00000
54 17F+3 0.00000 0.27960 0.00000 0.00000 0.00000
55 17F-3 0.01503 0.00000 -0.03958 0.00000 0.00000
56 18F 0 -0.87404 0.00000 0.17958 0.00000 0.00000
57 18F+1 0.00000 0.00000 0.00000 0.49121 0.00000
58 18F-1 0.00000 0.00000 0.00000 0.00000 0.49121
59 18F+2 0.00000 0.00000 0.00000 0.00000 -0.03312
60 18F-2 0.00000 0.00000 0.00000 -0.03312 0.00000
61 18F+3 0.00000 0.06715 0.00000 0.00000 0.00000
62 18F-3 0.17912 0.00000 -0.05279 0.00000 0.00000
63 19G 0 -0.00154 0.00000 0.01249 0.00000 0.00000
64 19G+1 0.00000 0.00000 0.00000 -0.00481 0.00000
65 19G-1 0.00000 0.00000 0.00000 0.00000 -0.00481
66 19G+2 0.00000 0.00000 0.00000 0.00000 -0.00466
67 19G-2 0.00000 0.00000 0.00000 -0.00466 0.00000
68 19G+3 0.00000 0.01670 0.00000 0.00000 0.00000
69 19G-3 0.00244 0.00000 0.00190 0.00000 0.00000
70 19G+4 0.00000 0.00000 0.00000 0.00000 0.00275
71 19G-4 0.00000 0.00000 0.00000 -0.00275 0.00000
72 20G 0 0.03904 0.00000 0.04976 0.00000 0.00000
73 20G+1 0.00000 0.00000 0.00000 -0.06350 0.00000
74 20G-1 0.00000 0.00000 0.00000 0.00000 -0.06350
75 20G+2 0.00000 0.00000 0.00000 0.00000 -0.02476
76 20G-2 0.00000 0.00000 0.00000 -0.02476 0.00000
77 20G+3 0.00000 0.09971 0.00000 0.00000 0.00000
78 20G-3 -0.01703 0.00000 -0.01379 0.00000 0.00000
79 20G+4 0.00000 0.00000 0.00000 0.00000 -0.00148
80 20G-4 0.00000 0.00000 0.00000 0.00148 0.00000
81 2 C 1S 0.00271 0.00000 -0.01778 0.00000 0.00000
82 2S -0.00010 0.00000 0.03881 0.00000 0.00000
83 3S -0.05923 0.00000 0.21472 0.00000 0.00000
84 4S 2.59600 0.00000 -0.80656 0.00000 0.00000
85 5S -1.30650 0.00000 -9.02346 0.00000 0.00000
86 6S -22.29276 0.00000 -17.51044 0.00000 0.00000
87 7PX 0.00000 0.00000 0.00000 -0.01852 0.00000
88 7PY 0.00000 0.00000 0.00000 0.00000 -0.01852
89 7PZ 0.01013 0.00000 0.01394 0.00000 0.00000
90 8PX 0.00000 0.00000 0.00000 0.03946 0.00000
91 8PY 0.00000 0.00000 0.00000 0.00000 0.03946
92 8PZ -0.01236 0.00000 0.12323 0.00000 0.00000
93 9PX 0.00000 0.00000 0.00000 0.03315 0.00000
94 9PY 0.00000 0.00000 0.00000 0.00000 0.03315
95 9PZ -1.23075 0.00000 -1.58624 0.00000 0.00000
96 10PX 0.00000 0.00000 0.00000 -5.44679 0.00000
97 10PY 0.00000 0.00000 0.00000 0.00000 -5.44679
98 10PZ -1.92439 0.00000 -14.36352 0.00000 0.00000
99 11PX 0.00000 0.00000 0.00000 -5.65112 0.00000
100 11PY 0.00000 0.00000 0.00000 0.00000 -5.65112
101 11PZ -4.95934 0.00000 -9.14179 0.00000 0.00000
102 12D 0 -0.00065 0.00000 0.00636 0.00000 0.00000
103 12D+1 0.00000 0.00000 0.00000 -0.00203 0.00000
104 12D-1 0.00000 0.00000 0.00000 0.00000 -0.00203
105 12D+2 0.00000 0.00000 0.00000 0.00000 -0.00402
106 12D-2 0.00000 0.00000 0.00000 -0.00402 0.00000
107 13D 0 -0.03934 0.00000 -0.08613 0.00000 0.00000
108 13D+1 0.00000 0.00000 0.00000 -0.00182 0.00000
109 13D-1 0.00000 0.00000 0.00000 0.00000 -0.00182
110 13D+2 0.00000 0.00000 0.00000 0.00000 0.03282
111 13D-2 0.00000 0.00000 0.00000 0.03282 0.00000
112 14D 0 0.13722 0.00000 -1.30704 0.00000 0.00000
113 14D+1 0.00000 0.00000 0.00000 -0.15971 0.00000
114 14D-1 0.00000 0.00000 0.00000 0.00000 -0.15971
115 14D+2 0.00000 0.00000 0.00000 0.00000 0.25871
116 14D-2 0.00000 0.00000 0.00000 0.25871 0.00000
117 15D 0 1.31713 0.00000 -3.87802 0.00000 0.00000
118 15D+1 0.00000 0.00000 0.00000 -1.87727 0.00000
119 15D-1 0.00000 0.00000 0.00000 0.00000 -1.87727
120 15D+2 0.00000 0.00000 0.00000 0.00000 -0.93734
121 15D-2 0.00000 0.00000 0.00000 -0.93734 0.00000
122 16F 0 0.00565 0.00000 0.00196 0.00000 0.00000
123 16F+1 0.00000 0.00000 0.00000 0.00401 0.00000
124 16F-1 0.00000 0.00000 0.00000 0.00000 0.00401
125 16F+2 0.00000 0.00000 0.00000 0.00000 -0.00194
126 16F-2 0.00000 0.00000 0.00000 -0.00194 0.00000
127 16F+3 0.00000 -0.00308 0.00000 0.00000 0.00000
128 16F-3 0.00379 0.00000 0.00046 0.00000 0.00000
129 17F 0 -0.04432 0.00000 -0.12004 0.00000 0.00000
130 17F+1 0.00000 0.00000 0.00000 -0.11665 0.00000
131 17F-1 0.00000 0.00000 0.00000 0.00000 -0.11665
132 17F+2 0.00000 0.00000 0.00000 0.00000 0.04223
133 17F-2 0.00000 0.00000 0.00000 0.04223 0.00000
134 17F+3 0.00000 0.27960 0.00000 0.00000 0.00000
135 17F-3 0.01503 0.00000 -0.03958 0.00000 0.00000
136 18F 0 -0.87404 0.00000 0.17958 0.00000 0.00000
137 18F+1 0.00000 0.00000 0.00000 -0.49121 0.00000
138 18F-1 0.00000 0.00000 0.00000 0.00000 -0.49121
139 18F+2 0.00000 0.00000 0.00000 0.00000 0.03312
140 18F-2 0.00000 0.00000 0.00000 0.03312 0.00000
141 18F+3 0.00000 0.06715 0.00000 0.00000 0.00000
142 18F-3 0.17912 0.00000 -0.05279 0.00000 0.00000
143 19G 0 0.00154 0.00000 -0.01249 0.00000 0.00000
144 19G+1 0.00000 0.00000 0.00000 -0.00481 0.00000
145 19G-1 0.00000 0.00000 0.00000 0.00000 -0.00481
146 19G+2 0.00000 0.00000 0.00000 0.00000 -0.00466
147 19G-2 0.00000 0.00000 0.00000 -0.00466 0.00000
148 19G+3 0.00000 -0.01670 0.00000 0.00000 0.00000
149 19G-3 -0.00244 0.00000 -0.00190 0.00000 0.00000
150 19G+4 0.00000 0.00000 0.00000 0.00000 0.00275
151 19G-4 0.00000 0.00000 0.00000 -0.00275 0.00000
152 20G 0 -0.03904 0.00000 -0.04976 0.00000 0.00000
153 20G+1 0.00000 0.00000 0.00000 -0.06350 0.00000
154 20G-1 0.00000 0.00000 0.00000 0.00000 -0.06350
155 20G+2 0.00000 0.00000 0.00000 0.00000 -0.02476
156 20G-2 0.00000 0.00000 0.00000 -0.02476 0.00000
157 20G+3 0.00000 -0.09971 0.00000 0.00000 0.00000
158 20G-3 0.01703 0.00000 0.01379 0.00000 0.00000
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160 20G-4 0.00000 0.00000 0.00000 0.00148 0.00000
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285 13F 0 0.00078 0.00000 -0.00121 0.00236 -0.00136
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297 14F+3 0.00000 -0.08802 0.00000 -0.01411 -0.02444
298 14F-3 0.07268 0.00000 -0.02776 0.01155 -0.00667
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301 3S 0.04997 0.00000 -0.47074 0.00000 0.18980
302 4S 1.56629 0.00000 -5.65040 0.00000 1.58501
303 5S -1.26907 0.00000 -3.53201 0.00000 -2.58755
304 6PX 0.00000 -0.00415 0.00000 0.00466 0.00000
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335 13F-2 0.00000 0.00558 0.00000 0.00206 0.00000
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337 13F-3 -0.00003 0.00000 0.00139 0.00000 -0.00216
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341 14F+2 0.00498 0.00000 -0.00129 0.00000 -0.02556
342 14F-2 0.00000 0.02754 0.00000 0.00445 0.00000
343 14F+3 0.00000 -0.08802 0.00000 -0.02822 0.00000
344 14F-3 0.07268 0.00000 -0.02776 0.00000 -0.01334
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346 2S 0.04648 0.00000 0.03452 -0.03828 0.02210
347 3S 0.04997 0.00000 -0.47074 0.16437 -0.09490
348 4S 1.56629 0.00000 -5.65040 1.37266 -0.79250
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371 11D-2 0.04210 -0.05328 0.00079 -0.01288 0.01660
372 12D 0 -0.07423 0.00000 0.05960 -0.05541 0.03199
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374 12D-1 0.00687 -0.02382 0.00812 -0.18175 0.07925
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376 12D-2 0.57006 -0.33764 -0.15149 -0.10522 0.20626
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379 13F-1 -0.00030 -0.00068 -0.00073 -0.00165 0.00029
380 13F+2 -0.00127 -0.00483 0.00084 0.00251 0.00061
381 13F-2 0.00220 -0.00279 -0.00145 -0.00229 0.00251
382 13F+3 0.00000 -0.00537 0.00000 0.00050 0.00086
383 13F-3 -0.00003 0.00000 0.00139 -0.00187 0.00108
384 14F 0 -0.00915 0.00000 -0.00716 -0.01063 0.00614
385 14F+1 0.00481 0.01829 0.01121 -0.00105 -0.00027
386 14F-1 -0.00277 0.03168 -0.00647 -0.00027 -0.00137
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390 14F-3 0.07268 0.00000 -0.02776 -0.01155 0.00667
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394 4S 1.56629 0.00000 -5.65040 -1.37266 -0.79250
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421 12D+2 -0.32912 0.58481 0.08746 -0.20626 0.13294
422 12D-2 -0.57006 -0.33764 0.15149 -0.10522 -0.20626
423 13F 0 0.00078 0.00000 -0.00121 0.00236 0.00136
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426 13F+2 -0.00127 0.00483 0.00084 -0.00251 0.00061
427 13F-2 -0.00220 -0.00279 0.00145 -0.00229 -0.00251
428 13F+3 0.00000 -0.00537 0.00000 0.00050 -0.00086
429 13F-3 -0.00003 0.00000 0.00139 0.00187 0.00108
430 14F 0 -0.00915 0.00000 -0.00716 0.01063 0.00614
431 14F+1 -0.00481 0.01829 -0.01121 -0.00105 0.00027
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433 14F+2 -0.00249 0.02385 0.00064 -0.01299 -0.00306
434 14F-2 -0.00431 -0.01377 0.00112 -0.01806 -0.01299
435 14F+3 0.00000 -0.08802 0.00000 0.01411 -0.02444
436 14F-3 0.07268 0.00000 -0.02776 0.01155 0.00667
36 37 38 39 40
(EU)--V (EU)--V (A1G)--V (EG)--V (EG)--V
Eigenvalues -- 0.30344 0.30344 0.31093 0.32431 0.32431
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12 8PZ 0.00000 0.00000 0.00459 0.00000 0.00000
13 9PX 1.06928 0.00000 0.00000 -0.23381 0.00000
14 9PY 0.00000 1.06928 0.00000 0.00000 0.23381
15 9PZ 0.00000 0.00000 1.36714 0.00000 0.00000
16 10PX 8.31393 0.00000 0.00000 -1.94043 0.00000
17 10PY 0.00000 8.31393 0.00000 0.00000 1.94043
18 10PZ 0.00000 0.00000 3.53535 0.00000 0.00000
19 11PX 5.23108 0.00000 0.00000 -0.25382 0.00000
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21 11PZ 0.00000 0.00000 0.55085 0.00000 0.00000
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339 14F+1 -0.02666 0.00000 0.00000 -0.00422 0.00000
340 14F-1 0.00000 0.04961 0.00304 0.00000 -0.10787
341 14F+2 0.00000 0.02950 -0.05090 0.00000 0.03707
342 14F-2 -0.03164 0.00000 0.00000 -0.00446 0.00000
343 14F+3 0.05753 0.00000 0.00000 0.04586 0.00000
344 14F-3 0.00000 0.01272 -0.03559 0.00000 -0.01287
345 7 H 1S -0.00976 0.00564 -0.00082 -0.00183 -0.00105
346 2S 0.04837 -0.02793 -0.07103 -0.00648 -0.00374
347 3S 1.55925 -0.90024 -2.55172 -0.29479 -0.17020
348 4S 5.77952 -3.33681 -5.93762 -0.06287 -0.03630
349 5S 5.19283 -2.99808 -0.61449 0.28657 0.16545
350 6PX -0.00410 0.00259 0.00490 0.00068 -0.00040
351 6PY 0.00259 -0.00111 -0.00283 0.00040 -0.00115
352 6PZ -0.00399 0.00230 0.00101 -0.00467 -0.00269
353 7PX 0.03697 -0.02999 -0.06458 -0.02007 0.00196
354 7PY -0.02999 0.00234 0.03729 -0.00196 0.02234
355 7PZ 0.04277 -0.02469 -0.02644 0.05840 0.03372
356 8PX -0.10563 -0.15302 -0.07915 -0.50233 -0.12093
357 8PY -0.15302 -0.28232 0.04570 0.12093 0.36270
358 8PZ 0.07313 -0.04222 0.03260 0.80842 0.46674
359 9PX -1.92338 -0.44647 0.77805 -1.91907 -0.68809
360 9PY -0.44647 -2.43892 -0.44921 0.68809 1.12453
361 9PZ 1.16233 -0.67107 0.93823 3.56403 2.05769
362 10D 0 -0.00273 0.00158 0.00222 -0.00378 -0.00218
363 10D+1 0.00204 -0.00041 -0.00380 -0.00240 -0.00149
364 10D-1 -0.00041 0.00157 0.00219 0.00149 0.00068
365 10D+2 0.00238 0.00191 -0.00178 0.00167 -0.00042
366 10D-2 -0.00084 0.00238 0.00309 -0.00151 -0.00167
367 11D 0 0.03882 -0.02242 -0.00142 0.09632 0.05561
368 11D+1 0.00487 -0.01953 0.01634 0.07949 0.05358
369 11D-1 -0.01953 -0.01768 -0.00943 -0.05358 -0.01762
370 11D+2 -0.03227 -0.03784 0.00117 -0.04776 0.02416
371 11D-2 -0.00058 -0.03227 -0.00202 0.03098 0.04776
372 12D 0 0.40062 -0.23130 -0.16168 0.62239 0.35933
373 12D+1 -0.23928 -0.03305 0.38388 0.40568 0.24884
374 12D-1 -0.03305 -0.27744 -0.22163 -0.24884 -0.11834
375 12D+2 -0.28704 -0.22369 0.18397 -0.24988 0.13456
376 12D-2 0.10775 -0.28704 -0.31865 0.15398 0.24988
377 13F 0 0.00049 -0.00028 0.00108 -0.00200 -0.00116
378 13F+1 0.00266 -0.00132 0.00083 0.00667 0.00392
379 13F-1 -0.00132 0.00114 -0.00048 -0.00392 -0.00215
380 13F+2 -0.00081 -0.00308 -0.00005 0.00102 0.00292
381 13F-2 -0.00215 -0.00081 0.00008 -0.00409 -0.00102
382 13F+3 -0.00142 -0.00246 0.00000 -0.00190 0.00330
383 13F-3 0.00327 -0.00189 0.00079 0.00463 0.00267
384 14F 0 0.03888 -0.02245 -0.05696 0.00603 0.00348
385 14F+1 0.03054 -0.03303 0.00263 0.07985 0.04854
386 14F-1 -0.03303 -0.00760 -0.00152 -0.04854 -0.02380
387 14F+2 -0.02648 -0.01636 0.02545 0.01412 0.01262
388 14F-2 0.01422 -0.02648 -0.04408 -0.02892 -0.01412
389 14F+3 -0.02877 -0.04982 0.00000 -0.02293 0.03972
390 14F-3 0.01101 -0.00636 -0.03559 0.01115 0.00644
391 8 H 1S 0.00976 0.00564 -0.00082 0.00183 -0.00105
392 2S -0.04837 -0.02793 -0.07103 0.00648 -0.00374
393 3S -1.55925 -0.90024 -2.55172 0.29479 -0.17020
394 4S -5.77952 -3.33681 -5.93762 0.06287 -0.03630
395 5S -5.19283 -2.99808 -0.61449 -0.28657 0.16545
396 6PX -0.00410 -0.00259 -0.00490 0.00068 0.00040
397 6PY -0.00259 -0.00111 -0.00283 -0.00040 -0.00115
398 6PZ 0.00399 0.00230 0.00101 0.00467 -0.00269
399 7PX 0.03697 0.02999 0.06458 -0.02007 -0.00196
400 7PY 0.02999 0.00234 0.03729 0.00196 0.02234
401 7PZ -0.04277 -0.02469 -0.02644 -0.05840 0.03372
402 8PX -0.10563 0.15302 0.07915 -0.50233 0.12093
403 8PY 0.15302 -0.28232 0.04570 -0.12093 0.36270
404 8PZ -0.07313 -0.04222 0.03260 -0.80842 0.46674
405 9PX -1.92338 0.44647 -0.77805 -1.91907 0.68809
406 9PY 0.44647 -2.43892 -0.44921 -0.68809 1.12453
407 9PZ -1.16233 -0.67107 0.93823 -3.56403 2.05769
408 10D 0 0.00273 0.00158 0.00222 0.00378 -0.00218
409 10D+1 0.00204 0.00041 0.00380 -0.00240 0.00149
410 10D-1 0.00041 0.00157 0.00219 -0.00149 0.00068
411 10D+2 -0.00238 0.00191 -0.00178 -0.00167 -0.00042
412 10D-2 -0.00084 -0.00238 -0.00309 -0.00151 0.00167
413 11D 0 -0.03882 -0.02242 -0.00142 -0.09632 0.05561
414 11D+1 0.00487 0.01953 -0.01634 0.07949 -0.05358
415 11D-1 0.01953 -0.01768 -0.00943 0.05358 -0.01762
416 11D+2 0.03227 -0.03784 0.00117 0.04776 0.02416
417 11D-2 -0.00058 0.03227 0.00202 0.03098 -0.04776
418 12D 0 -0.40062 -0.23130 -0.16168 -0.62239 0.35933
419 12D+1 -0.23928 0.03305 -0.38388 0.40568 -0.24884
420 12D-1 0.03305 -0.27744 -0.22163 0.24884 -0.11834
421 12D+2 0.28704 -0.22369 0.18397 0.24988 0.13456
422 12D-2 0.10775 0.28704 0.31865 0.15398 -0.24988
423 13F 0 -0.00049 -0.00028 0.00108 0.00200 -0.00116
424 13F+1 0.00266 0.00132 -0.00083 0.00667 -0.00392
425 13F-1 0.00132 0.00114 -0.00048 0.00392 -0.00215
426 13F+2 0.00081 -0.00308 -0.00005 -0.00102 0.00292
427 13F-2 -0.00215 0.00081 -0.00008 -0.00409 0.00102
428 13F+3 -0.00142 0.00246 0.00000 -0.00190 -0.00330
429 13F-3 -0.00327 -0.00189 0.00079 -0.00463 0.00267
430 14F 0 -0.03888 -0.02245 -0.05696 -0.00603 0.00348
431 14F+1 0.03054 0.03303 -0.00263 0.07985 -0.04854
432 14F-1 0.03303 -0.00760 -0.00152 0.04854 -0.02380
433 14F+2 0.02648 -0.01636 0.02545 -0.01412 0.01262
434 14F-2 0.01422 0.02648 0.04408 -0.02892 0.01412
435 14F+3 -0.02877 0.04982 0.00000 -0.02293 -0.03972
436 14F-3 -0.01101 -0.00636 -0.03559 -0.01115 0.00644
41 42 43 44 45
(A2G)--V (A1G)--V (EG)--V (EG)--V (A1G)--V
Eigenvalues -- 0.32735 0.33854 0.33984 0.33984 0.34365
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2 2S 0.00000 0.05037 0.00000 0.00000 -0.00340
3 3S 0.00000 -0.40978 0.00000 0.00000 0.05727
4 4S 0.00000 4.08982 0.00000 0.00000 0.10020
5 5S 0.00000 27.85616 0.00000 0.00000 -4.71281
6 6S 0.00000 5.85306 0.00000 0.00000 -1.12852
7 7PX 0.00000 0.00000 0.00000 -0.00401 0.00000
8 7PY 0.00000 0.00000 -0.00401 0.00000 0.00000
9 7PZ 0.00000 0.01671 0.00000 0.00000 -0.00234
10 8PX 0.00000 0.00000 0.00000 -0.02773 0.00000
11 8PY 0.00000 0.00000 -0.02773 0.00000 0.00000
12 8PZ 0.00000 0.04318 0.00000 0.00000 -0.00674
13 9PX 0.00000 0.00000 0.00000 -1.16249 0.00000
14 9PY 0.00000 0.00000 -1.16249 0.00000 0.00000
15 9PZ 0.00000 2.17656 0.00000 0.00000 1.39966
16 10PX 0.00000 0.00000 0.00000 -2.33878 0.00000
17 10PY 0.00000 0.00000 -2.33878 0.00000 0.00000
18 10PZ 0.00000 4.30589 0.00000 0.00000 2.94381
19 11PX 0.00000 0.00000 0.00000 -1.33900 0.00000
20 11PY 0.00000 0.00000 -1.33900 0.00000 0.00000
21 11PZ 0.00000 1.16892 0.00000 0.00000 -0.27767
22 12D 0 0.00000 0.00727 0.00000 0.00000 -0.00105
23 12D+1 0.00000 0.00000 0.00000 0.00079 0.00000
24 12D-1 0.00000 0.00000 0.00079 0.00000 0.00000
25 12D+2 0.00000 0.00000 -0.00075 0.00000 0.00000
26 12D-2 0.00000 0.00000 0.00000 -0.00075 0.00000
27 13D 0 0.00000 -0.11928 0.00000 0.00000 0.01056
28 13D+1 0.00000 0.00000 0.00000 -0.03730 0.00000
29 13D-1 0.00000 0.00000 -0.03730 0.00000 0.00000
30 13D+2 0.00000 0.00000 0.04271 0.00000 0.00000
31 13D-2 0.00000 0.00000 0.00000 0.04271 0.00000
32 14D 0 0.00000 -0.72359 0.00000 0.00000 1.71474
33 14D+1 0.00000 0.00000 0.00000 1.62428 0.00000
34 14D-1 0.00000 0.00000 1.62428 0.00000 0.00000
35 14D+2 0.00000 0.00000 0.21193 0.00000 0.00000
36 14D-2 0.00000 0.00000 0.00000 0.21193 0.00000
37 15D 0 0.00000 -0.64677 0.00000 0.00000 7.63634
38 15D+1 0.00000 0.00000 0.00000 11.03480 0.00000
39 15D-1 0.00000 0.00000 11.03480 0.00000 0.00000
40 15D+2 0.00000 0.00000 -0.18540 0.00000 0.00000
41 15D-2 0.00000 0.00000 0.00000 -0.18540 0.00000
42 16F 0 0.00000 -0.01049 0.00000 0.00000 0.00305
43 16F+1 0.00000 0.00000 0.00000 0.00637 0.00000
44 16F-1 0.00000 0.00000 0.00637 0.00000 0.00000
45 16F+2 0.00000 0.00000 0.00154 0.00000 0.00000
46 16F-2 0.00000 0.00000 0.00000 0.00154 0.00000
47 16F+3 -0.00441 0.00000 0.00000 0.00000 0.00000
48 16F-3 0.00000 -0.01708 0.00000 0.00000 0.00165
49 17F 0 0.00000 -0.10710 0.00000 0.00000 -0.03773
50 17F+1 0.00000 0.00000 0.00000 -0.08151 0.00000
51 17F-1 0.00000 0.00000 -0.08151 0.00000 0.00000
52 17F+2 0.00000 0.00000 0.05036 0.00000 0.00000
53 17F-2 0.00000 0.00000 0.00000 0.05036 0.00000
54 17F+3 0.35580 0.00000 0.00000 0.00000 0.00000
55 17F-3 0.00000 -0.12968 0.00000 0.00000 0.01149
56 18F 0 0.00000 -0.47786 0.00000 0.00000 0.08064
57 18F+1 0.00000 0.00000 0.00000 -0.04269 0.00000
58 18F-1 0.00000 0.00000 -0.04269 0.00000 0.00000
59 18F+2 0.00000 0.00000 0.48321 0.00000 0.00000
60 18F-2 0.00000 0.00000 0.00000 0.48321 0.00000
61 18F+3 0.41118 0.00000 0.00000 0.00000 0.00000
62 18F-3 0.00000 -0.44643 0.00000 0.00000 -0.32937
63 19G 0 0.00000 0.00073 0.00000 0.00000 -0.00443
64 19G+1 0.00000 0.00000 0.00000 -0.00057 0.00000
65 19G-1 0.00000 0.00000 -0.00057 0.00000 0.00000
66 19G+2 0.00000 0.00000 -0.00116 0.00000 0.00000
67 19G-2 0.00000 0.00000 0.00000 -0.00116 0.00000
68 19G+3 0.02008 0.00000 0.00000 0.00000 0.00000
69 19G-3 0.00000 -0.02114 0.00000 0.00000 0.00616
70 19G+4 0.00000 0.00000 0.00428 0.00000 0.00000
71 19G-4 0.00000 0.00000 0.00000 -0.00428 0.00000
72 20G 0 0.00000 -0.01790 0.00000 0.00000 -0.02717
73 20G+1 0.00000 0.00000 0.00000 0.07181 0.00000
74 20G-1 0.00000 0.00000 0.07181 0.00000 0.00000
75 20G+2 0.00000 0.00000 0.04009 0.00000 0.00000
76 20G-2 0.00000 0.00000 0.00000 0.04009 0.00000
77 20G+3 0.18105 0.00000 0.00000 0.00000 0.00000
78 20G-3 0.00000 0.05517 0.00000 0.00000 -0.10607
79 20G+4 0.00000 0.00000 -0.03086 0.00000 0.00000
80 20G-4 0.00000 0.00000 0.00000 0.03086 0.00000
81 2 C 1S 0.00000 -0.02994 0.00000 0.00000 0.00310
82 2S 0.00000 0.05037 0.00000 0.00000 -0.00340
83 3S 0.00000 -0.40978 0.00000 0.00000 0.05727
84 4S 0.00000 4.08982 0.00000 0.00000 0.10020
85 5S 0.00000 27.85616 0.00000 0.00000 -4.71281
86 6S 0.00000 5.85306 0.00000 0.00000 -1.12852
87 7PX 0.00000 0.00000 0.00000 0.00401 0.00000
88 7PY 0.00000 0.00000 0.00401 0.00000 0.00000
89 7PZ 0.00000 -0.01671 0.00000 0.00000 0.00234
90 8PX 0.00000 0.00000 0.00000 0.02773 0.00000
91 8PY 0.00000 0.00000 0.02773 0.00000 0.00000
92 8PZ 0.00000 -0.04318 0.00000 0.00000 0.00674
93 9PX 0.00000 0.00000 0.00000 1.16249 0.00000
94 9PY 0.00000 0.00000 1.16249 0.00000 0.00000
95 9PZ 0.00000 -2.17656 0.00000 0.00000 -1.39966
96 10PX 0.00000 0.00000 0.00000 2.33878 0.00000
97 10PY 0.00000 0.00000 2.33878 0.00000 0.00000
98 10PZ 0.00000 -4.30589 0.00000 0.00000 -2.94381
99 11PX 0.00000 0.00000 0.00000 1.33900 0.00000
100 11PY 0.00000 0.00000 1.33900 0.00000 0.00000
101 11PZ 0.00000 -1.16892 0.00000 0.00000 0.27767
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105 12D+2 0.00000 0.00000 -0.00075 0.00000 0.00000
106 12D-2 0.00000 0.00000 0.00000 -0.00075 0.00000
107 13D 0 0.00000 -0.11928 0.00000 0.00000 0.01056
108 13D+1 0.00000 0.00000 0.00000 -0.03730 0.00000
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110 13D+2 0.00000 0.00000 0.04271 0.00000 0.00000
111 13D-2 0.00000 0.00000 0.00000 0.04271 0.00000
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113 14D+1 0.00000 0.00000 0.00000 1.62428 0.00000
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116 14D-2 0.00000 0.00000 0.00000 0.21193 0.00000
117 15D 0 0.00000 -0.64677 0.00000 0.00000 7.63634
118 15D+1 0.00000 0.00000 0.00000 11.03480 0.00000
119 15D-1 0.00000 0.00000 11.03480 0.00000 0.00000
120 15D+2 0.00000 0.00000 -0.18540 0.00000 0.00000
121 15D-2 0.00000 0.00000 0.00000 -0.18540 0.00000
122 16F 0 0.00000 0.01049 0.00000 0.00000 -0.00305
123 16F+1 0.00000 0.00000 0.00000 -0.00637 0.00000
124 16F-1 0.00000 0.00000 -0.00637 0.00000 0.00000
125 16F+2 0.00000 0.00000 -0.00154 0.00000 0.00000
126 16F-2 0.00000 0.00000 0.00000 -0.00154 0.00000
127 16F+3 0.00441 0.00000 0.00000 0.00000 0.00000
128 16F-3 0.00000 0.01708 0.00000 0.00000 -0.00165
129 17F 0 0.00000 0.10710 0.00000 0.00000 0.03773
130 17F+1 0.00000 0.00000 0.00000 0.08151 0.00000
131 17F-1 0.00000 0.00000 0.08151 0.00000 0.00000
132 17F+2 0.00000 0.00000 -0.05036 0.00000 0.00000
133 17F-2 0.00000 0.00000 0.00000 -0.05036 0.00000
134 17F+3 -0.35580 0.00000 0.00000 0.00000 0.00000
135 17F-3 0.00000 0.12968 0.00000 0.00000 -0.01149
136 18F 0 0.00000 0.47786 0.00000 0.00000 -0.08064
137 18F+1 0.00000 0.00000 0.00000 0.04269 0.00000
138 18F-1 0.00000 0.00000 0.04269 0.00000 0.00000
139 18F+2 0.00000 0.00000 -0.48321 0.00000 0.00000
140 18F-2 0.00000 0.00000 0.00000 -0.48321 0.00000
141 18F+3 -0.41118 0.00000 0.00000 0.00000 0.00000
142 18F-3 0.00000 0.44643 0.00000 0.00000 0.32937
143 19G 0 0.00000 0.00073 0.00000 0.00000 -0.00443
144 19G+1 0.00000 0.00000 0.00000 -0.00057 0.00000
145 19G-1 0.00000 0.00000 -0.00057 0.00000 0.00000
146 19G+2 0.00000 0.00000 -0.00116 0.00000 0.00000
147 19G-2 0.00000 0.00000 0.00000 -0.00116 0.00000
148 19G+3 0.02008 0.00000 0.00000 0.00000 0.00000
149 19G-3 0.00000 -0.02114 0.00000 0.00000 0.00616
150 19G+4 0.00000 0.00000 0.00428 0.00000 0.00000
151 19G-4 0.00000 0.00000 0.00000 -0.00428 0.00000
152 20G 0 0.00000 -0.01790 0.00000 0.00000 -0.02717
153 20G+1 0.00000 0.00000 0.00000 0.07181 0.00000
154 20G-1 0.00000 0.00000 0.07181 0.00000 0.00000
155 20G+2 0.00000 0.00000 0.04009 0.00000 0.00000
156 20G-2 0.00000 0.00000 0.00000 0.04009 0.00000
157 20G+3 0.18105 0.00000 0.00000 0.00000 0.00000
158 20G-3 0.00000 0.05517 0.00000 0.00000 -0.10607
159 20G+4 0.00000 0.00000 -0.03086 0.00000 0.00000
160 20G-4 0.00000 0.00000 0.00000 0.03086 0.00000
161 3 H 1S 0.00000 0.00114 -0.00252 0.00000 0.00087
162 2S 0.00000 0.07135 0.00329 0.00000 -0.05085
163 3S 0.00000 -4.06586 0.54693 0.00000 0.41121
164 4S 0.00000 -8.27667 -9.05509 0.00000 1.57881
165 5S 0.00000 -0.73205 1.15217 0.00000 0.09322
166 6PX -0.00622 0.00000 0.00000 -0.00142 0.00000
167 6PY 0.00000 -0.01392 0.00404 0.00000 0.00030
168 6PZ 0.00000 -0.00305 -0.00055 0.00000 0.00249
169 7PX 0.07572 0.00000 0.00000 0.01176 0.00000
170 7PY 0.00000 0.10298 -0.03552 0.00000 0.00517
171 7PZ 0.00000 0.03323 0.01438 0.00000 -0.01662
172 8PX 0.86770 0.00000 0.00000 -0.24435 0.00000
173 8PY 0.00000 1.39562 -0.25913 0.00000 0.13563
174 8PZ 0.00000 0.55210 -0.40471 0.00000 -0.47295
175 9PX 3.53909 0.00000 0.00000 -2.62520 0.00000
176 9PY 0.00000 2.82846 -0.88533 0.00000 2.80245
177 9PZ 0.00000 0.83322 -4.75422 0.00000 -3.45130
178 10D 0 0.00000 -0.00100 -0.00160 0.00000 -0.00163
179 10D+1 0.00016 0.00000 0.00000 0.00307 0.00000
180 10D-1 0.00000 0.00017 -0.00418 0.00000 -0.00283
181 10D+2 0.00000 -0.00200 0.00156 0.00000 -0.00417
182 10D-2 0.00414 0.00000 0.00000 -0.00051 0.00000
183 11D 0 0.00000 0.04257 -0.00681 0.00000 0.02683
184 11D+1 -0.03660 0.00000 0.00000 -0.02529 0.00000
185 11D-1 0.00000 -0.06241 0.03406 0.00000 0.04269
186 11D+2 0.00000 0.09277 -0.04058 0.00000 0.03493
187 11D-2 -0.13920 0.00000 0.00000 0.01485 0.00000
188 12D 0 0.00000 0.14804 -0.08638 0.00000 0.02520
189 12D+1 -0.21789 0.00000 0.00000 -0.62649 0.00000
190 12D-1 0.00000 -0.22909 0.61977 0.00000 0.41609
191 12D+2 0.00000 0.21608 -0.24534 0.00000 0.63126
192 12D-2 -0.72806 0.00000 0.00000 0.20578 0.00000
193 13F 0 0.00000 -0.00332 -0.00304 0.00000 -0.00159
194 13F+1 -0.00173 0.00000 0.00000 -0.00172 0.00000
195 13F-1 0.00000 -0.00185 0.00313 0.00000 -0.00165
196 13F+2 0.00000 -0.00518 0.00285 0.00000 0.00061
197 13F-2 0.00606 0.00000 0.00000 -0.00220 0.00000
198 13F+3 -0.00752 0.00000 0.00000 0.00273 0.00000
199 13F-3 0.00000 -0.00467 0.00230 0.00000 0.00171
200 14F 0 0.00000 0.01378 0.07364 0.00000 0.03544
201 14F+1 -0.02117 0.00000 0.00000 0.06252 0.00000
202 14F-1 0.00000 -0.01731 -0.01156 0.00000 -0.02194
203 14F+2 0.00000 -0.01584 0.03461 0.00000 0.01451
204 14F-2 0.03801 0.00000 0.00000 0.07645 0.00000
205 14F+3 -0.08569 0.00000 0.00000 0.00552 0.00000
206 14F-3 0.00000 0.00239 0.03404 0.00000 -0.09116
207 4 H 1S 0.00000 0.00114 0.00126 0.00219 0.00087
208 2S 0.00000 0.07135 -0.00164 -0.00285 -0.05085
209 3S 0.00000 -4.06586 -0.27346 -0.47365 0.41121
210 4S 0.00000 -8.27667 4.52754 7.84194 1.57881
211 5S 0.00000 -0.73205 -0.57609 -0.99781 0.09322
212 6PX 0.00311 0.01206 0.00236 0.00267 -0.00026
213 6PY -0.00538 0.00696 -0.00006 0.00236 -0.00015
214 6PZ 0.00000 -0.00305 0.00027 0.00047 0.00249
215 7PX -0.03786 -0.08918 -0.02047 -0.02370 -0.00448
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232 11D+2 -0.12055 -0.04638 0.00099 -0.02400 -0.01747
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237 12D+2 -0.63052 -0.10804 0.09300 -0.19534 -0.31563
238 12D-2 0.36403 -0.18713 -0.19534 -0.13256 -0.54669
239 13F 0 0.00000 -0.00332 0.00152 0.00263 -0.00159
240 13F+1 0.00086 0.00161 0.00210 0.00192 0.00143
241 13F-1 -0.00150 0.00093 -0.00051 0.00210 0.00083
242 13F+2 0.00525 0.00259 -0.00094 0.00219 -0.00031
243 13F-2 -0.00303 0.00448 0.00219 0.00159 -0.00053
244 13F+3 -0.00752 0.00000 0.00236 -0.00136 0.00000
245 13F-3 0.00000 -0.00467 -0.00115 -0.00199 0.00171
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251 14F+3 -0.08569 0.00000 0.00478 -0.00276 0.00000
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282 12D-1 0.18870 0.11455 -0.31493 -0.53965 -0.20804
283 12D+2 0.63052 -0.10804 0.09300 0.19534 -0.31563
284 12D-2 0.36403 0.18713 0.19534 -0.13256 0.54669
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287 13F-1 0.00150 0.00093 -0.00051 -0.00210 0.00083
288 13F+2 -0.00525 0.00259 -0.00094 -0.00219 -0.00031
289 13F-2 -0.00303 -0.00448 -0.00219 0.00159 0.00053
290 13F+3 -0.00752 0.00000 -0.00236 -0.00136 0.00000
291 13F-3 0.00000 -0.00467 -0.00115 0.00199 0.00171
292 14F 0 0.00000 0.01378 -0.03682 0.06377 0.03544
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294 14F-1 0.01834 0.00865 0.04400 0.03207 0.01097
295 14F+2 -0.03291 0.00792 0.06599 0.01812 -0.00726
296 14F-2 -0.01900 -0.01372 0.01812 0.04507 0.01257
297 14F+3 -0.08569 0.00000 -0.00478 -0.00276 0.00000
298 14F-3 0.00000 0.00239 -0.01702 0.02948 -0.09116
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301 3S 0.00000 -4.06586 0.54693 0.00000 0.41121
302 4S 0.00000 -8.27667 -9.05509 0.00000 1.57881
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312 8PZ 0.00000 -0.55210 0.40471 0.00000 0.47295
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315 9PZ 0.00000 -0.83322 4.75422 0.00000 3.45130
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320 10D-2 0.00414 0.00000 0.00000 -0.00051 0.00000
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322 11D+1 -0.03660 0.00000 0.00000 -0.02529 0.00000
323 11D-1 0.00000 -0.06241 0.03406 0.00000 0.04269
324 11D+2 0.00000 0.09277 -0.04058 0.00000 0.03493
325 11D-2 -0.13920 0.00000 0.00000 0.01485 0.00000
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330 12D-2 -0.72806 0.00000 0.00000 0.20578 0.00000
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334 13F+2 0.00000 0.00518 -0.00285 0.00000 -0.00061
335 13F-2 -0.00606 0.00000 0.00000 0.00220 0.00000
336 13F+3 0.00752 0.00000 0.00000 -0.00273 0.00000
337 13F-3 0.00000 0.00467 -0.00230 0.00000 -0.00171
338 14F 0 0.00000 -0.01378 -0.07364 0.00000 -0.03544
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341 14F+2 0.00000 0.01584 -0.03461 0.00000 -0.01451
342 14F-2 -0.03801 0.00000 0.00000 -0.07645 0.00000
343 14F+3 0.08569 0.00000 0.00000 -0.00552 0.00000
344 14F-3 0.00000 -0.00239 -0.03404 0.00000 0.09116
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346 2S 0.00000 0.07135 -0.00164 0.00285 -0.05085
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354 7PY 0.06558 0.05149 0.00006 -0.02047 0.00259
355 7PZ 0.00000 -0.03323 0.00719 -0.01246 0.01662
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357 8PY 0.75145 0.69781 0.24804 -0.00640 0.06782
358 8PZ 0.00000 -0.55210 -0.20235 0.35049 0.47295
359 9PX 1.76955 -2.44952 0.75339 1.32030 -2.42700
360 9PY 3.06494 1.41423 2.19024 0.75339 1.40123
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364 10D-1 -0.00014 -0.00008 0.00126 0.00314 0.00142
365 10D+2 -0.00359 0.00100 0.00001 -0.00090 0.00208
366 10D-2 -0.00207 -0.00173 -0.00090 0.00104 -0.00361
367 11D 0 0.00000 0.04257 0.00340 -0.00589 0.02683
368 11D+1 0.01830 -0.05405 -0.02570 0.01922 0.03697
369 11D-1 0.03170 0.03120 -0.01045 -0.02570 -0.02135
370 11D+2 0.12055 -0.04638 0.00099 0.02400 -0.01747
371 11D-2 0.06960 0.08034 0.02400 -0.02672 0.03025
372 12D 0 0.00000 0.14804 0.04319 -0.07480 0.02520
373 12D+1 0.10895 -0.19840 -0.53965 0.30820 0.36034
374 12D-1 0.18870 0.11455 -0.31493 -0.53965 -0.20804
375 12D+2 0.63052 -0.10804 0.09300 0.19534 -0.31563
376 12D-2 0.36403 0.18713 0.19534 -0.13256 0.54669
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379 13F-1 -0.00150 -0.00093 0.00051 0.00210 -0.00083
380 13F+2 0.00525 -0.00259 0.00094 0.00219 0.00031
381 13F-2 0.00303 0.00448 0.00219 -0.00159 -0.00053
382 13F+3 0.00752 0.00000 0.00236 0.00136 0.00000
383 13F-3 0.00000 0.00467 0.00115 -0.00199 -0.00171
384 14F 0 0.00000 -0.01378 0.03682 -0.06377 -0.03544
385 14F+1 -0.01059 0.01499 -0.03207 -0.00696 0.01900
386 14F-1 -0.01834 -0.00865 -0.04400 -0.03207 -0.01097
387 14F+2 0.03291 -0.00792 -0.06599 -0.01812 0.00726
388 14F-2 0.01900 0.01372 -0.01812 -0.04507 -0.01257
389 14F+3 0.08569 0.00000 0.00478 0.00276 0.00000
390 14F-3 0.00000 -0.00239 0.01702 -0.02948 0.09116
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392 2S 0.00000 0.07135 -0.00164 -0.00285 -0.05085
393 3S 0.00000 -4.06586 -0.27346 -0.47365 0.41121
394 4S 0.00000 -8.27667 4.52754 7.84194 1.57881
395 5S 0.00000 -0.73205 -0.57609 -0.99781 0.09322
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398 6PZ 0.00000 0.00305 -0.00027 -0.00047 -0.00249
399 7PX 0.03786 0.08918 0.02047 0.02370 0.00448
400 7PY -0.06558 0.05149 0.00006 0.02047 0.00259
401 7PZ 0.00000 -0.03323 0.00719 0.01246 0.01662
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403 8PY -0.75145 0.69781 0.24804 0.00640 0.06782
404 8PZ 0.00000 -0.55210 -0.20235 -0.35049 0.47295
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406 9PY -3.06494 1.41423 2.19024 -0.75339 1.40123
407 9PZ 0.00000 -0.83322 -2.37711 -4.11728 3.45130
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410 10D-1 0.00014 -0.00008 0.00126 -0.00314 0.00142
411 10D+2 0.00359 0.00100 0.00001 0.00090 0.00208
412 10D-2 -0.00207 0.00173 0.00090 0.00104 0.00361
413 11D 0 0.00000 0.04257 0.00340 0.00589 0.02683
414 11D+1 0.01830 0.05405 0.02570 0.01922 -0.03697
415 11D-1 -0.03170 0.03120 -0.01045 0.02570 -0.02135
416 11D+2 -0.12055 -0.04638 0.00099 -0.02400 -0.01747
417 11D-2 0.06960 -0.08034 -0.02400 -0.02672 -0.03025
418 12D 0 0.00000 0.14804 0.04319 0.07480 0.02520
419 12D+1 0.10895 0.19840 0.53965 0.30820 -0.36034
420 12D-1 -0.18870 0.11455 -0.31493 0.53965 -0.20804
421 12D+2 -0.63052 -0.10804 0.09300 -0.19534 -0.31563
422 12D-2 0.36403 -0.18713 -0.19534 -0.13256 -0.54669
423 13F 0 0.00000 0.00332 -0.00152 -0.00263 0.00159
424 13F+1 -0.00086 -0.00161 -0.00210 -0.00192 -0.00143
425 13F-1 0.00150 -0.00093 0.00051 -0.00210 -0.00083
426 13F+2 -0.00525 -0.00259 0.00094 -0.00219 0.00031
427 13F-2 0.00303 -0.00448 -0.00219 -0.00159 0.00053
428 13F+3 0.00752 0.00000 -0.00236 0.00136 0.00000
429 13F-3 0.00000 0.00467 0.00115 0.00199 -0.00171
430 14F 0 0.00000 -0.01378 0.03682 0.06377 -0.03544
431 14F+1 -0.01059 -0.01499 0.03207 -0.00696 -0.01900
432 14F-1 0.01834 -0.00865 -0.04400 0.03207 -0.01097
433 14F+2 -0.03291 -0.00792 -0.06599 0.01812 0.00726
434 14F-2 0.01900 -0.01372 0.01812 -0.04507 0.01257
435 14F+3 0.08569 0.00000 -0.00478 0.00276 0.00000
436 14F-3 0.00000 -0.00239 0.01702 0.02948 0.09116
46 47 48 49 50
(A2U)--V (EG)--V (EG)--V (EU)--V (EU)--V
Eigenvalues -- 0.35569 0.37542 0.37542 0.37986 0.37986
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2 2S 0.04807 0.00000 0.00000 0.00000 0.00000
3 3S -0.31226 0.00000 0.00000 0.00000 0.00000
4 4S 0.28759 0.00000 0.00000 0.00000 0.00000
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6 6S 48.52013 0.00000 0.00000 0.00000 0.00000
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9 7PZ 0.01535 0.00000 0.00000 0.00000 0.00000
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12 8PZ 0.00936 0.00000 0.00000 0.00000 0.00000
13 9PX 0.00000 0.00000 0.44074 1.71146 0.00000
14 9PY 0.00000 -0.44074 0.00000 0.00000 -1.71146
15 9PZ 1.90034 0.00000 0.00000 0.00000 0.00000
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18 10PZ 0.77004 0.00000 0.00000 0.00000 0.00000
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26 12D-2 0.00000 0.00000 0.00927 0.00770 0.00000
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28 13D+1 0.00000 0.00000 0.01834 0.03344 0.00000
29 13D-1 0.00000 -0.01834 0.00000 0.00000 -0.03344
30 13D+2 0.00000 0.13831 0.00000 0.00000 0.07988
31 13D-2 0.00000 0.00000 -0.13831 -0.07988 0.00000
32 14D 0 0.01119 0.00000 0.00000 0.00000 0.00000
33 14D+1 0.00000 0.00000 0.05595 0.42353 0.00000
34 14D-1 0.00000 -0.05595 0.00000 0.00000 -0.42353
35 14D+2 0.00000 2.61184 0.00000 0.00000 1.30343
36 14D-2 0.00000 0.00000 -2.61184 -1.30343 0.00000
37 15D 0 3.65767 0.00000 0.00000 0.00000 0.00000
38 15D+1 0.00000 0.00000 -12.99619 -3.60593 0.00000
39 15D-1 0.00000 12.99619 0.00000 0.00000 3.60593
40 15D+2 0.00000 12.65325 0.00000 0.00000 2.53591
41 15D-2 0.00000 0.00000 -12.65325 -2.53591 0.00000
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43 16F+1 0.00000 0.00000 -0.00228 0.00042 0.00000
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45 16F+2 0.00000 0.00029 0.00000 0.00000 0.00358
46 16F-2 0.00000 0.00000 -0.00029 -0.00358 0.00000
47 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000
48 16F-3 -0.00569 0.00000 0.00000 0.00000 0.00000
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51 17F-1 0.00000 -0.00589 0.00000 0.00000 0.03464
52 17F+2 0.00000 0.13707 0.00000 0.00000 0.02264
53 17F-2 0.00000 0.00000 -0.13707 -0.02264 0.00000
54 17F+3 0.00000 0.00000 0.00000 0.00000 0.00000
55 17F-3 -0.14114 0.00000 0.00000 0.00000 0.00000
56 18F 0 -0.33027 0.00000 0.00000 0.00000 0.00000
57 18F+1 0.00000 0.00000 0.25648 0.40993 0.00000
58 18F-1 0.00000 -0.25648 0.00000 0.00000 -0.40993
59 18F+2 0.00000 0.51661 0.00000 0.00000 1.46908
60 18F-2 0.00000 0.00000 -0.51661 -1.46908 0.00000
61 18F+3 0.00000 0.00000 0.00000 0.00000 0.00000
62 18F-3 -0.91608 0.00000 0.00000 0.00000 0.00000
63 19G 0 -0.00003 0.00000 0.00000 0.00000 0.00000
64 19G+1 0.00000 0.00000 -0.00587 -0.00302 0.00000
65 19G-1 0.00000 0.00587 0.00000 0.00000 0.00302
66 19G+2 0.00000 0.00223 0.00000 0.00000 -0.00271
67 19G-2 0.00000 0.00000 -0.00223 0.00271 0.00000
68 19G+3 0.00000 0.00000 0.00000 0.00000 0.00000
69 19G-3 -0.01315 0.00000 0.00000 0.00000 0.00000
70 19G+4 0.00000 0.00388 0.00000 0.00000 -0.00520
71 19G-4 0.00000 0.00000 0.00388 -0.00520 0.00000
72 20G 0 -0.02962 0.00000 0.00000 0.00000 0.00000
73 20G+1 0.00000 0.00000 0.01993 0.01646 0.00000
74 20G-1 0.00000 -0.01993 0.00000 0.00000 -0.01646
75 20G+2 0.00000 0.00412 0.00000 0.00000 0.01266
76 20G-2 0.00000 0.00000 -0.00412 -0.01266 0.00000
77 20G+3 0.00000 0.00000 0.00000 0.00000 0.00000
78 20G-3 -0.06799 0.00000 0.00000 0.00000 0.00000
79 20G+4 0.00000 -0.00161 0.00000 0.00000 0.02098
80 20G-4 0.00000 0.00000 -0.00161 0.02098 0.00000
81 2 C 1S 0.03337 0.00000 0.00000 0.00000 0.00000
82 2S -0.04807 0.00000 0.00000 0.00000 0.00000
83 3S 0.31226 0.00000 0.00000 0.00000 0.00000
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436 14F-3 -0.00077 -0.00134 0.00364 0.05481 -0.03165
61 62 63 64 65
(A1G)--V (EG)--V (EG)--V (EU)--V (EU)--V
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195 13F-1 0.00090 0.00000 -0.00185 0.00000 -0.00303
196 13F+2 0.00050 0.00000 -0.00261 0.00000 0.00518
197 13F-2 0.00000 0.01033 0.00000 -0.00407 0.00000
198 13F+3 0.00000 -0.00720 0.00000 0.00155 0.00000
199 13F-3 -0.00485 0.00000 -0.00313 0.00000 -0.00520
200 14F 0 -0.00201 0.00000 0.10985 0.00000 -0.12003
201 14F+1 0.00000 -0.12106 0.00000 -0.08704 0.00000
202 14F-1 -0.00623 0.00000 0.00347 0.00000 -0.18192
203 14F+2 0.02501 0.00000 0.08943 0.00000 -0.07434
204 14F-2 0.00000 0.02914 0.00000 -0.04257 0.00000
205 14F+3 0.00000 -0.21660 0.00000 0.11731 0.00000
206 14F-3 0.16265 0.00000 0.06403 0.00000 -0.00661
207 4 H 1S 0.01705 0.00000 0.02185 -0.01785 0.01030
208 2S -0.03290 0.00000 -0.03784 0.05629 -0.03250
209 3S -5.40200 0.00000 -5.82846 7.20810 -4.16160
210 4S -11.67418 0.00000 -8.92506 28.35779 -16.37238
211 5S 0.29714 0.00000 -0.49446 3.09504 -1.78692
212 6PX 0.00580 0.00482 0.00706 -0.00189 0.00349
213 6PY 0.00335 -0.00835 0.00408 -0.00349 -0.00215
214 6PZ -0.00155 0.00000 -0.00143 0.00622 -0.00359
215 7PX -0.11813 -0.03838 -0.16044 0.08943 -0.07424
216 7PY -0.06820 0.06648 -0.09263 0.07424 -0.00371
217 7PZ 0.04603 0.00000 0.05939 -0.08260 0.04769
218 8PX -0.24012 -0.44256 -0.62247 1.12114 -0.28020
219 8PY -0.13863 0.76653 -0.35938 0.28020 -0.79760
220 8PZ 0.32883 0.00000 0.23384 -0.06765 0.03906
221 9PX -0.26743 -1.09120 -0.02130 3.22596 -2.80194
222 9PY -0.15440 1.89002 -0.01230 2.80194 0.00944
223 9PZ 1.45568 0.00000 -0.36171 -4.02943 2.32639
224 10D 0 0.00153 0.00000 0.00414 -0.00594 0.00343
225 10D+1 0.00240 -0.00072 0.00574 -0.00313 0.00154
226 10D-1 0.00138 0.00125 0.00331 -0.00154 0.00135
227 10D+2 -0.00420 0.00640 -0.00305 0.00126 -0.00097
228 10D-2 -0.00728 -0.00369 -0.00529 0.00242 -0.00126
229 11D 0 0.00393 0.00000 0.00750 0.06028 -0.03480
230 11D+1 0.01134 0.03129 -0.00493 -0.03917 0.03558
231 11D-1 0.00655 -0.05420 -0.00285 -0.03558 -0.00191
232 11D+2 0.01560 -0.16726 -0.01391 -0.01306 -0.02992
233 11D-2 0.02703 0.09657 -0.02410 0.01484 0.01306
234 12D 0 0.06903 0.00000 -0.34690 1.38382 -0.79895
235 12D+1 -0.07906 -0.14780 -0.62630 0.51052 0.09719
236 12D-1 -0.04564 0.25600 -0.36159 -0.09719 -0.62275
237 12D+2 0.71368 -1.43501 0.31183 -0.22479 0.08484
238 12D-2 1.23614 0.82850 0.54010 -0.34441 0.22479
239 13F 0 -0.00076 0.00000 -0.00315 0.00340 -0.00196
240 13F+1 -0.00078 -0.00169 0.00160 0.00285 -0.00031
241 13F-1 -0.00045 0.00292 0.00093 0.00031 -0.00249
242 13F+2 -0.00025 0.00895 0.00131 -0.00048 0.00435
243 13F-2 -0.00043 -0.00517 0.00226 -0.00490 0.00048
244 13F+3 0.00000 -0.00720 0.00000 -0.00077 -0.00134
245 13F-3 -0.00485 0.00000 -0.00313 -0.00450 0.00260
246 14F 0 -0.00201 0.00000 0.10985 -0.10395 0.06001
247 14F+1 0.00539 0.06053 -0.00301 0.11468 -0.11646
248 14F-1 0.00311 -0.10484 -0.00174 0.11646 0.01980
249 14F+2 -0.01250 0.02524 -0.04472 0.05062 0.01334
250 14F-2 -0.02166 -0.01457 -0.07745 0.04511 -0.05062
251 14F+3 0.00000 -0.21660 0.00000 -0.05865 -0.10159
252 14F-3 0.16265 0.00000 0.06403 -0.00573 0.00331
253 5 H 1S 0.01705 0.00000 0.02185 0.01785 0.01030
254 2S -0.03290 0.00000 -0.03784 -0.05629 -0.03250
255 3S -5.40200 0.00000 -5.82846 -7.20810 -4.16160
256 4S -11.67418 0.00000 -8.92506 -28.35779 -16.37238
257 5S 0.29714 0.00000 -0.49446 -3.09504 -1.78692
258 6PX -0.00580 0.00482 -0.00706 -0.00189 -0.00349
259 6PY 0.00335 0.00835 0.00408 0.00349 -0.00215
260 6PZ -0.00155 0.00000 -0.00143 -0.00622 -0.00359
261 7PX 0.11813 -0.03838 0.16044 0.08943 0.07424
262 7PY -0.06820 -0.06648 -0.09263 -0.07424 -0.00371
263 7PZ 0.04603 0.00000 0.05939 0.08260 0.04769
264 8PX 0.24012 -0.44256 0.62247 1.12114 0.28020
265 8PY -0.13863 -0.76653 -0.35938 -0.28020 -0.79760
266 8PZ 0.32883 0.00000 0.23384 0.06765 0.03906
267 9PX 0.26743 -1.09120 0.02130 3.22596 2.80194
268 9PY -0.15440 -1.89002 -0.01230 -2.80194 0.00944
269 9PZ 1.45568 0.00000 -0.36171 4.02943 2.32639
270 10D 0 0.00153 0.00000 0.00414 0.00594 0.00343
271 10D+1 -0.00240 -0.00072 -0.00574 -0.00313 -0.00154
272 10D-1 0.00138 -0.00125 0.00331 0.00154 0.00135
273 10D+2 -0.00420 -0.00640 -0.00305 -0.00126 -0.00097
274 10D-2 0.00728 -0.00369 0.00529 0.00242 0.00126
275 11D 0 0.00393 0.00000 0.00750 -0.06028 -0.03480
276 11D+1 -0.01134 0.03129 0.00493 -0.03917 -0.03558
277 11D-1 0.00655 0.05420 -0.00285 0.03558 -0.00191
278 11D+2 0.01560 0.16726 -0.01391 0.01306 -0.02992
279 11D-2 -0.02703 0.09657 0.02410 0.01484 -0.01306
280 12D 0 0.06903 0.00000 -0.34690 -1.38382 -0.79895
281 12D+1 0.07906 -0.14780 0.62630 0.51052 -0.09719
282 12D-1 -0.04564 -0.25600 -0.36159 0.09719 -0.62275
283 12D+2 0.71368 1.43501 0.31183 0.22479 0.08484
284 12D-2 -1.23614 0.82850 -0.54010 -0.34441 -0.22479
285 13F 0 -0.00076 0.00000 -0.00315 -0.00340 -0.00196
286 13F+1 0.00078 -0.00169 -0.00160 0.00285 0.00031
287 13F-1 -0.00045 -0.00292 0.00093 -0.00031 -0.00249
288 13F+2 -0.00025 -0.00895 0.00131 0.00048 0.00435
289 13F-2 0.00043 -0.00517 -0.00226 -0.00490 -0.00048
290 13F+3 0.00000 -0.00720 0.00000 -0.00077 0.00134
291 13F-3 -0.00485 0.00000 -0.00313 0.00450 0.00260
292 14F 0 -0.00201 0.00000 0.10985 0.10395 0.06001
293 14F+1 -0.00539 0.06053 0.00301 0.11468 0.11646
294 14F-1 0.00311 0.10484 -0.00174 -0.11646 0.01980
295 14F+2 -0.01250 -0.02524 -0.04472 -0.05062 0.01334
296 14F-2 0.02166 -0.01457 0.07745 0.04511 0.05062
297 14F+3 0.00000 -0.21660 0.00000 -0.05865 0.10159
298 14F-3 0.16265 0.00000 0.06403 0.00573 0.00331
299 6 H 1S -0.01705 0.00000 0.02185 0.00000 0.02061
300 2S 0.03290 0.00000 -0.03784 0.00000 -0.06500
301 3S 5.40200 0.00000 -5.82846 0.00000 -8.32320
302 4S 11.67418 0.00000 -8.92506 0.00000 -32.74476
303 5S -0.29714 0.00000 -0.49446 0.00000 -3.57384
304 6PX 0.00000 -0.00964 0.00000 0.00416 0.00000
305 6PY -0.00670 0.00000 0.00816 0.00000 0.00390
306 6PZ -0.00155 0.00000 0.00143 0.00000 0.00719
307 7PX 0.00000 0.07676 0.00000 -0.03915 0.00000
308 7PY 0.13640 0.00000 -0.18525 0.00000 -0.13230
309 7PZ 0.04603 0.00000 -0.05939 0.00000 -0.09538
310 8PX 0.00000 0.88512 0.00000 0.63583 0.00000
311 8PY 0.27727 0.00000 -0.71876 0.00000 -1.28291
312 8PZ 0.32883 0.00000 -0.23384 0.00000 -0.07812
313 9PX 0.00000 2.18240 0.00000 -1.62714 0.00000
314 9PY 0.30880 0.00000 -0.02460 0.00000 -4.84366
315 9PZ 1.45568 0.00000 0.36171 0.00000 -4.65278
316 10D 0 -0.00153 0.00000 0.00414 0.00000 0.00686
317 10D+1 0.00000 -0.00144 0.00000 0.00047 0.00000
318 10D-1 0.00277 0.00000 -0.00662 0.00000 -0.00402
319 10D+2 -0.00841 0.00000 0.00610 0.00000 0.00315
320 10D-2 0.00000 -0.00739 0.00000 -0.00025 0.00000
321 11D 0 -0.00393 0.00000 0.00750 0.00000 -0.06960
322 11D+1 0.00000 0.06258 0.00000 -0.02246 0.00000
323 11D-1 0.01310 0.00000 0.00569 0.00000 -0.05971
324 11D+2 0.03121 0.00000 0.02783 0.00000 0.00730
325 11D-2 0.00000 0.19314 0.00000 -0.03746 0.00000
326 12D 0 -0.06903 0.00000 -0.34690 0.00000 -1.59790
327 12D+1 0.00000 -0.29560 0.00000 -0.67886 0.00000
328 12D-1 -0.09129 0.00000 0.72319 0.00000 0.45441
329 12D+2 1.42737 0.00000 -0.62366 0.00000 -0.47419
330 12D-2 0.00000 1.65701 0.00000 -0.04495 0.00000
331 13F 0 -0.00076 0.00000 0.00315 0.00000 0.00393
332 13F+1 0.00000 0.00338 0.00000 0.00231 0.00000
333 13F-1 0.00090 0.00000 0.00185 0.00000 -0.00303
334 13F+2 0.00050 0.00000 0.00261 0.00000 0.00518
335 13F-2 0.00000 0.01033 0.00000 -0.00407 0.00000
336 13F+3 0.00000 -0.00720 0.00000 0.00155 0.00000
337 13F-3 -0.00485 0.00000 0.00313 0.00000 -0.00520
338 14F 0 -0.00201 0.00000 -0.10985 0.00000 -0.12003
339 14F+1 0.00000 -0.12106 0.00000 -0.08704 0.00000
340 14F-1 -0.00623 0.00000 -0.00347 0.00000 -0.18192
341 14F+2 0.02501 0.00000 -0.08943 0.00000 -0.07434
342 14F-2 0.00000 0.02914 0.00000 -0.04257 0.00000
343 14F+3 0.00000 -0.21660 0.00000 0.11731 0.00000
344 14F-3 0.16265 0.00000 -0.06403 0.00000 -0.00661
345 7 H 1S -0.01705 0.00000 0.02185 -0.01785 -0.01030
346 2S 0.03290 0.00000 -0.03784 0.05629 0.03250
347 3S 5.40200 0.00000 -5.82846 7.20810 4.16160
348 4S 11.67418 0.00000 -8.92506 28.35779 16.37238
349 5S -0.29714 0.00000 -0.49446 3.09504 1.78692
350 6PX -0.00580 0.00482 0.00706 -0.00189 -0.00349
351 6PY 0.00335 0.00835 -0.00408 0.00349 -0.00215
352 6PZ -0.00155 0.00000 0.00143 -0.00622 -0.00359
353 7PX 0.11813 -0.03838 -0.16044 0.08943 0.07424
354 7PY -0.06820 -0.06648 0.09263 -0.07424 -0.00371
355 7PZ 0.04603 0.00000 -0.05939 0.08260 0.04769
356 8PX 0.24012 -0.44256 -0.62247 1.12114 0.28020
357 8PY -0.13863 -0.76653 0.35938 -0.28020 -0.79760
358 8PZ 0.32883 0.00000 -0.23384 0.06765 0.03906
359 9PX 0.26743 -1.09120 -0.02130 3.22596 2.80194
360 9PY -0.15440 -1.89002 0.01230 -2.80194 0.00944
361 9PZ 1.45568 0.00000 0.36171 4.02943 2.32639
362 10D 0 -0.00153 0.00000 0.00414 -0.00594 -0.00343
363 10D+1 0.00240 0.00072 -0.00574 0.00313 0.00154
364 10D-1 -0.00138 0.00125 0.00331 -0.00154 -0.00135
365 10D+2 0.00420 0.00640 -0.00305 0.00126 0.00097
366 10D-2 -0.00728 0.00369 0.00529 -0.00242 -0.00126
367 11D 0 -0.00393 0.00000 0.00750 0.06028 0.03480
368 11D+1 0.01134 -0.03129 0.00493 0.03917 0.03558
369 11D-1 -0.00655 -0.05420 -0.00285 -0.03558 0.00191
370 11D+2 -0.01560 -0.16726 -0.01391 -0.01306 0.02992
371 11D-2 0.02703 -0.09657 0.02410 -0.01484 0.01306
372 12D 0 -0.06903 0.00000 -0.34690 1.38382 0.79895
373 12D+1 -0.07906 0.14780 0.62630 -0.51052 0.09719
374 12D-1 0.04564 0.25600 -0.36159 -0.09719 0.62275
375 12D+2 -0.71368 -1.43501 0.31183 -0.22479 -0.08484
376 12D-2 1.23614 -0.82850 -0.54010 0.34441 0.22479
377 13F 0 -0.00076 0.00000 0.00315 -0.00340 -0.00196
378 13F+1 0.00078 -0.00169 0.00160 0.00285 0.00031
379 13F-1 -0.00045 -0.00292 -0.00093 -0.00031 -0.00249
380 13F+2 -0.00025 -0.00895 -0.00131 0.00048 0.00435
381 13F-2 0.00043 -0.00517 0.00226 -0.00490 -0.00048
382 13F+3 0.00000 -0.00720 0.00000 -0.00077 0.00134
383 13F-3 -0.00485 0.00000 0.00313 0.00450 0.00260
384 14F 0 -0.00201 0.00000 -0.10985 0.10395 0.06001
385 14F+1 -0.00539 0.06053 -0.00301 0.11468 0.11646
386 14F-1 0.00311 0.10484 0.00174 -0.11646 0.01980
387 14F+2 -0.01250 -0.02524 0.04472 -0.05062 0.01334
388 14F-2 0.02166 -0.01457 -0.07745 0.04511 0.05062
389 14F+3 0.00000 -0.21660 0.00000 -0.05865 0.10159
390 14F-3 0.16265 0.00000 -0.06403 0.00573 0.00331
391 8 H 1S -0.01705 0.00000 0.02185 0.01785 -0.01030
392 2S 0.03290 0.00000 -0.03784 -0.05629 0.03250
393 3S 5.40200 0.00000 -5.82846 -7.20810 4.16160
394 4S 11.67418 0.00000 -8.92506 -28.35779 16.37238
395 5S -0.29714 0.00000 -0.49446 -3.09504 1.78692
396 6PX 0.00580 0.00482 -0.00706 -0.00189 0.00349
397 6PY 0.00335 -0.00835 -0.00408 -0.00349 -0.00215
398 6PZ -0.00155 0.00000 0.00143 0.00622 -0.00359
399 7PX -0.11813 -0.03838 0.16044 0.08943 -0.07424
400 7PY -0.06820 0.06648 0.09263 0.07424 -0.00371
401 7PZ 0.04603 0.00000 -0.05939 -0.08260 0.04769
402 8PX -0.24012 -0.44256 0.62247 1.12114 -0.28020
403 8PY -0.13863 0.76653 0.35938 0.28020 -0.79760
404 8PZ 0.32883 0.00000 -0.23384 -0.06765 0.03906
405 9PX -0.26743 -1.09120 0.02130 3.22596 -2.80194
406 9PY -0.15440 1.89002 0.01230 2.80194 0.00944
407 9PZ 1.45568 0.00000 0.36171 -4.02943 2.32639
408 10D 0 -0.00153 0.00000 0.00414 0.00594 -0.00343
409 10D+1 -0.00240 0.00072 0.00574 0.00313 -0.00154
410 10D-1 -0.00138 -0.00125 0.00331 0.00154 -0.00135
411 10D+2 0.00420 -0.00640 -0.00305 -0.00126 0.00097
412 10D-2 0.00728 0.00369 -0.00529 -0.00242 0.00126
413 11D 0 -0.00393 0.00000 0.00750 -0.06028 0.03480
414 11D+1 -0.01134 -0.03129 -0.00493 0.03917 -0.03558
415 11D-1 -0.00655 0.05420 -0.00285 0.03558 0.00191
416 11D+2 -0.01560 0.16726 -0.01391 0.01306 0.02992
417 11D-2 -0.02703 -0.09657 -0.02410 -0.01484 -0.01306
418 12D 0 -0.06903 0.00000 -0.34690 -1.38382 0.79895
419 12D+1 0.07906 0.14780 -0.62630 -0.51052 -0.09719
420 12D-1 0.04564 -0.25600 -0.36159 0.09719 0.62275
421 12D+2 -0.71368 1.43501 0.31183 0.22479 -0.08484
422 12D-2 -1.23614 -0.82850 0.54010 0.34441 -0.22479
423 13F 0 -0.00076 0.00000 0.00315 0.00340 -0.00196
424 13F+1 -0.00078 -0.00169 -0.00160 0.00285 -0.00031
425 13F-1 -0.00045 0.00292 -0.00093 0.00031 -0.00249
426 13F+2 -0.00025 0.00895 -0.00131 -0.00048 0.00435
427 13F-2 -0.00043 -0.00517 -0.00226 -0.00490 0.00048
428 13F+3 0.00000 -0.00720 0.00000 -0.00077 -0.00134
429 13F-3 -0.00485 0.00000 0.00313 -0.00450 0.00260
430 14F 0 -0.00201 0.00000 -0.10985 -0.10395 0.06001
431 14F+1 0.00539 0.06053 0.00301 0.11468 -0.11646
432 14F-1 0.00311 -0.10484 0.00174 0.11646 0.01980
433 14F+2 -0.01250 0.02524 0.04472 0.05062 0.01334
434 14F-2 -0.02166 -0.01457 0.07745 0.04511 -0.05062
435 14F+3 0.00000 -0.21660 0.00000 -0.05865 -0.10159
436 14F-3 0.16265 0.00000 -0.06403 -0.00573 0.00331
71 72 73 74 75
(EG)--V (EG)--V (A2U)--V (A2G)--V (A1G)--V
Eigenvalues -- 0.70760 0.70760 0.72274 0.73124 0.74373
1 1 C 1S 0.00000 0.00000 0.03217 0.00000 0.04174
2 2S 0.00000 0.00000 -0.06474 0.00000 -0.07726
3 3S 0.00000 0.00000 -0.66201 0.00000 -0.98169
4 4S 0.00000 0.00000 0.70478 0.00000 8.69558
5 5S 0.00000 0.00000 54.83389 0.00000 39.70127
6 6S 0.00000 0.00000 20.56404 0.00000 4.62254
7 7PX 0.00000 -0.00853 0.00000 0.00000 0.00000
8 7PY 0.00853 0.00000 0.00000 0.00000 0.00000
9 7PZ 0.00000 0.00000 -0.05554 0.00000 -0.02914
10 8PX 0.00000 -0.01846 0.00000 0.00000 0.00000
11 8PY 0.01846 0.00000 0.00000 0.00000 0.00000
12 8PZ 0.00000 0.00000 -0.21483 0.00000 -0.04048
13 9PX 0.00000 -0.13565 0.00000 0.00000 0.00000
14 9PY 0.13565 0.00000 0.00000 0.00000 0.00000
15 9PZ 0.00000 0.00000 6.39836 0.00000 3.62652
16 10PX 0.00000 0.61488 0.00000 0.00000 0.00000
17 10PY -0.61488 0.00000 0.00000 0.00000 0.00000
18 10PZ 0.00000 0.00000 8.90185 0.00000 6.23930
19 11PX 0.00000 -0.01705 0.00000 0.00000 0.00000
20 11PY 0.01705 0.00000 0.00000 0.00000 0.00000
21 11PZ 0.00000 0.00000 -1.28916 0.00000 0.92961
22 12D 0 0.00000 0.00000 0.00610 0.00000 0.00742
23 12D+1 0.00000 0.00230 0.00000 0.00000 0.00000
24 12D-1 -0.00230 0.00000 0.00000 0.00000 0.00000
25 12D+2 0.00082 0.00000 0.00000 0.00000 0.00000
26 12D-2 0.00000 -0.00082 0.00000 0.00000 0.00000
27 13D 0 0.00000 0.00000 -0.14577 0.00000 -0.21757
28 13D+1 0.00000 0.07073 0.00000 0.00000 0.00000
29 13D-1 -0.07073 0.00000 0.00000 0.00000 0.00000
30 13D+2 0.04600 0.00000 0.00000 0.00000 0.00000
31 13D-2 0.00000 -0.04600 0.00000 0.00000 0.00000
32 14D 0 0.00000 0.00000 -1.90839 0.00000 -1.77578
33 14D+1 0.00000 1.48976 0.00000 0.00000 0.00000
34 14D-1 -1.48976 0.00000 0.00000 0.00000 0.00000
35 14D+2 0.08241 0.00000 0.00000 0.00000 0.00000
36 14D-2 0.00000 -0.08241 0.00000 0.00000 0.00000
37 15D 0 0.00000 0.00000 1.84122 0.00000 -1.10317
38 15D+1 0.00000 2.06453 0.00000 0.00000 0.00000
39 15D-1 -2.06453 0.00000 0.00000 0.00000 0.00000
40 15D+2 -0.35418 0.00000 0.00000 0.00000 0.00000
41 15D-2 0.00000 0.35418 0.00000 0.00000 0.00000
42 16F 0 0.00000 0.00000 -0.01523 0.00000 -0.02016
43 16F+1 0.00000 -0.01234 0.00000 0.00000 0.00000
44 16F-1 0.01234 0.00000 0.00000 0.00000 0.00000
45 16F+2 -0.00261 0.00000 0.00000 0.00000 0.00000
46 16F-2 0.00000 0.00261 0.00000 0.00000 0.00000
47 16F+3 0.00000 0.00000 0.00000 -0.00712 0.00000
48 16F-3 0.00000 0.00000 -0.01136 0.00000 -0.03118
49 17F 0 0.00000 0.00000 -0.13085 0.00000 -0.15791
50 17F+1 0.00000 0.62595 0.00000 0.00000 0.00000
51 17F-1 -0.62595 0.00000 0.00000 0.00000 0.00000
52 17F+2 0.34281 0.00000 0.00000 0.00000 0.00000
53 17F-2 0.00000 -0.34281 0.00000 0.00000 0.00000
54 17F+3 0.00000 0.00000 0.00000 0.68423 0.00000
55 17F-3 0.00000 0.00000 -0.30293 0.00000 -0.21283
56 18F 0 0.00000 0.00000 1.03188 0.00000 -1.00656
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376 12D-2 0.45759 0.20968 -0.80754 0.82181 0.44655
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379 13F-1 -0.00456 -0.00631 0.00064 -0.00227 -0.00169
380 13F+2 0.00457 0.00130 0.00293 0.00974 -0.00421
381 13F-2 -0.00130 -0.00607 -0.00508 0.00562 0.00729
382 13F+3 0.00497 -0.00287 0.00000 0.01325 0.00000
383 13F-3 0.00539 0.00934 -0.00476 0.00000 0.00919
384 14F 0 -0.00708 -0.01226 0.08162 0.00000 0.00284
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386 14F-1 -0.02970 -0.10730 0.05696 -0.04646 -0.01926
387 14F+2 0.03885 0.03215 -0.04264 0.06492 -0.03348
388 14F-2 -0.03215 -0.07597 0.07385 0.03748 0.05798
389 14F+3 0.09327 -0.05385 0.00000 0.19228 0.00000
390 14F-3 -0.00102 -0.00176 -0.09843 0.00000 0.00366
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392 2S 0.01523 -0.02638 0.00768 0.00000 0.15170
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394 4S -3.52190 6.10012 13.75825 0.00000 -10.39667
395 5S -0.09771 0.16923 0.63618 0.00000 -0.50688
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406 9PY 1.22365 -1.03930 -1.72590 -2.65644 1.54735
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410 10D-1 0.00046 -0.00308 -0.00283 -0.00025 -0.00072
411 10D+2 -0.00039 -0.00270 -0.00072 0.00648 0.00167
412 10D-2 0.00270 -0.00272 -0.00125 -0.00374 0.00290
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417 11D-2 -0.09022 0.06802 0.12548 0.13287 -0.15682
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419 12D+1 -0.61632 0.87545 0.91772 0.17420 0.59302
420 12D-1 -0.16379 0.61632 0.52985 -0.30172 0.34238
421 12D+2 0.31870 0.45759 0.46623 -1.42341 -0.25782
422 12D-2 -0.45759 0.20968 0.80754 0.82181 -0.44655
423 13F 0 -0.00149 0.00258 -0.00240 0.00000 0.00557
424 13F+1 -0.00631 0.01184 0.00112 -0.00131 -0.00292
425 13F-1 -0.00456 0.00631 0.00064 0.00227 -0.00169
426 13F+2 0.00457 -0.00130 0.00293 -0.00974 -0.00421
427 13F-2 0.00130 -0.00607 0.00508 0.00562 -0.00729
428 13F+3 -0.00497 -0.00287 0.00000 0.01325 0.00000
429 13F-3 0.00539 -0.00934 -0.00476 0.00000 0.00919
430 14F 0 -0.00708 0.01226 0.08162 0.00000 0.00284
431 14F+1 -0.10730 0.15360 0.09867 -0.02683 -0.03337
432 14F-1 -0.02970 0.10730 0.05696 0.04646 -0.01926
433 14F+2 0.03885 -0.03215 -0.04264 -0.06492 -0.03348
434 14F-2 0.03215 -0.07597 -0.07385 0.03748 -0.05798
435 14F+3 -0.09327 -0.05385 0.00000 0.19228 0.00000
436 14F-3 -0.00102 0.00176 -0.09843 0.00000 0.00366
76 77 78 79 80
(A2U)--V (EG)--V (EG)--V (A1U)--V (A1G)--V
Eigenvalues -- 0.74577 0.75857 0.75857 0.76853 0.78135
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3 3S -0.62125 0.00000 0.00000 0.00000 0.00092
4 4S 0.42714 0.00000 0.00000 0.00000 2.60072
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26 12D-2 0.00000 0.00000 -0.00482 0.00000 0.00000
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28 13D+1 0.00000 0.00000 0.11119 0.00000 0.00000
29 13D-1 0.00000 0.11119 0.00000 0.00000 0.00000
30 13D+2 0.00000 -0.07819 0.00000 0.00000 0.00000
31 13D-2 0.00000 0.00000 -0.07819 0.00000 0.00000
32 14D 0 3.07065 0.00000 0.00000 0.00000 2.74253
33 14D+1 0.00000 0.00000 -0.80522 0.00000 0.00000
34 14D-1 0.00000 -0.80522 0.00000 0.00000 0.00000
35 14D+2 0.00000 -0.36230 0.00000 0.00000 0.00000
36 14D-2 0.00000 0.00000 -0.36230 0.00000 0.00000
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38 15D+1 0.00000 0.00000 -3.89480 0.00000 0.00000
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44 16F-1 0.00000 -0.00887 0.00000 0.00000 0.00000
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46 16F-2 0.00000 0.00000 -0.00091 0.00000 0.00000
47 16F+3 0.00000 0.00000 0.00000 -0.01105 0.00000
48 16F-3 -0.00010 0.00000 0.00000 0.00000 0.00539
49 17F 0 -0.36911 0.00000 0.00000 0.00000 0.00136
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52 17F+2 0.00000 -0.09792 0.00000 0.00000 0.00000
53 17F-2 0.00000 0.00000 -0.09792 0.00000 0.00000
54 17F+3 0.00000 0.00000 0.00000 0.56949 0.00000
55 17F-3 -0.17392 0.00000 0.00000 0.00000 -0.07309
56 18F 0 0.58633 0.00000 0.00000 0.00000 1.49837
57 18F+1 0.00000 0.00000 -0.63452 0.00000 0.00000
58 18F-1 0.00000 -0.63452 0.00000 0.00000 0.00000
59 18F+2 0.00000 -1.28989 0.00000 0.00000 0.00000
60 18F-2 0.00000 0.00000 -1.28989 0.00000 0.00000
61 18F+3 0.00000 0.00000 0.00000 2.72366 0.00000
62 18F-3 -0.98174 0.00000 0.00000 0.00000 -1.96850
63 19G 0 0.02811 0.00000 0.00000 0.00000 -0.00457
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65 19G-1 0.00000 -0.00311 0.00000 0.00000 0.00000
66 19G+2 0.00000 0.00453 0.00000 0.00000 0.00000
67 19G-2 0.00000 0.00000 0.00453 0.00000 0.00000
68 19G+3 0.00000 0.00000 0.00000 0.04422 0.00000
69 19G-3 -0.00308 0.00000 0.00000 0.00000 0.00976
70 19G+4 0.00000 0.00024 0.00000 0.00000 0.00000
71 19G-4 0.00000 0.00000 -0.00024 0.00000 0.00000
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73 20G+1 0.00000 0.00000 -0.16939 0.00000 0.00000
74 20G-1 0.00000 -0.16939 0.00000 0.00000 0.00000
75 20G+2 0.00000 -0.10141 0.00000 0.00000 0.00000
76 20G-2 0.00000 0.00000 -0.10141 0.00000 0.00000
77 20G+3 0.00000 0.00000 0.00000 0.11580 0.00000
78 20G-3 -0.08056 0.00000 0.00000 0.00000 -0.16379
79 20G+4 0.00000 0.07032 0.00000 0.00000 0.00000
80 20G-4 0.00000 0.00000 -0.07032 0.00000 0.00000
81 2 C 1S -0.03153 0.00000 0.00000 0.00000 -0.00238
82 2S 0.07973 0.00000 0.00000 0.00000 0.00536
83 3S 0.62125 0.00000 0.00000 0.00000 0.00092
84 4S -0.42714 0.00000 0.00000 0.00000 2.60072
85 5S -40.11772 0.00000 0.00000 0.00000 -5.20134
86 6S -25.50574 0.00000 0.00000 0.00000 -1.08372
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88 7PY 0.00000 0.03722 0.00000 0.00000 0.00000
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91 8PY 0.00000 0.09953 0.00000 0.00000 0.00000
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121 15D-2 0.00000 0.00000 2.39797 0.00000 0.00000
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123 16F+1 0.00000 0.00000 0.00887 0.00000 0.00000
124 16F-1 0.00000 0.00887 0.00000 0.00000 0.00000
125 16F+2 0.00000 0.00091 0.00000 0.00000 0.00000
126 16F-2 0.00000 0.00000 0.00091 0.00000 0.00000
127 16F+3 0.00000 0.00000 0.00000 -0.01105 0.00000
128 16F-3 -0.00010 0.00000 0.00000 0.00000 -0.00539
129 17F 0 -0.36911 0.00000 0.00000 0.00000 -0.00136
130 17F+1 0.00000 0.00000 -0.15247 0.00000 0.00000
131 17F-1 0.00000 -0.15247 0.00000 0.00000 0.00000
132 17F+2 0.00000 0.09792 0.00000 0.00000 0.00000
133 17F-2 0.00000 0.00000 0.09792 0.00000 0.00000
134 17F+3 0.00000 0.00000 0.00000 0.56949 0.00000
135 17F-3 -0.17392 0.00000 0.00000 0.00000 0.07309
136 18F 0 0.58633 0.00000 0.00000 0.00000 -1.49837
137 18F+1 0.00000 0.00000 0.63452 0.00000 0.00000
138 18F-1 0.00000 0.63452 0.00000 0.00000 0.00000
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140 18F-2 0.00000 0.00000 1.28989 0.00000 0.00000
141 18F+3 0.00000 0.00000 0.00000 2.72366 0.00000
142 18F-3 -0.98174 0.00000 0.00000 0.00000 1.96850
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144 19G+1 0.00000 0.00000 -0.00311 0.00000 0.00000
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148 19G+3 0.00000 0.00000 0.00000 -0.04422 0.00000
149 19G-3 0.00308 0.00000 0.00000 0.00000 0.00976
150 19G+4 0.00000 0.00024 0.00000 0.00000 0.00000
151 19G-4 0.00000 0.00000 -0.00024 0.00000 0.00000
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153 20G+1 0.00000 0.00000 -0.16939 0.00000 0.00000
154 20G-1 0.00000 -0.16939 0.00000 0.00000 0.00000
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156 20G-2 0.00000 0.00000 -0.10141 0.00000 0.00000
157 20G+3 0.00000 0.00000 0.00000 -0.11580 0.00000
158 20G-3 0.08056 0.00000 0.00000 0.00000 -0.16379
159 20G+4 0.00000 0.07032 0.00000 0.00000 0.00000
160 20G-4 0.00000 0.00000 -0.07032 0.00000 0.00000
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162 2S -0.08448 -0.05191 0.00000 0.00000 -0.10320
163 3S -1.36837 -3.82584 0.00000 0.00000 0.36242
164 4S 6.24740 -3.49228 0.00000 0.00000 1.45296
165 5S 2.12582 -1.92207 0.00000 0.00000 0.06467
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172 8PX 0.00000 0.00000 -0.25014 1.74188 0.00000
173 8PY 0.01631 1.55529 0.00000 0.00000 0.08081
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175 9PX 0.00000 0.00000 -1.97030 0.20328 0.00000
176 9PY -0.83444 3.44577 0.00000 0.00000 2.38463
177 9PZ -1.20262 2.25103 0.00000 0.00000 -2.79515
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182 10D-2 0.00000 0.00000 -0.00341 0.00007 0.00000
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184 11D+1 0.00000 0.00000 0.07103 -0.08735 0.00000
185 11D-1 -0.03365 -0.07227 0.00000 0.00000 0.04301
186 11D+2 0.01776 0.10823 0.00000 0.00000 0.07142
187 11D-2 0.00000 0.00000 0.03972 -0.16653 0.00000
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189 12D+1 0.00000 0.00000 1.78451 -1.72173 0.00000
190 12D-1 0.57087 -1.11654 0.00000 0.00000 0.94621
191 12D+2 0.52522 0.51448 0.00000 0.00000 1.78133
192 12D-2 0.00000 0.00000 0.20798 0.41189 0.00000
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195 13F-1 0.00357 -0.00563 0.00000 0.00000 -0.00033
196 13F+2 -0.00461 -0.00583 0.00000 0.00000 -0.00089
197 13F-2 0.00000 0.00000 0.00189 0.00642 0.00000
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204 14F-2 0.00000 0.00000 -0.20670 0.17608 0.00000
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206 14F-3 -0.08125 -0.02607 0.00000 0.00000 -0.24317
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209 3S -1.36837 1.91292 3.31327 0.00000 0.36242
210 4S 6.24740 1.74614 3.02441 0.00000 1.45296
211 5S 2.12582 0.96104 1.66456 0.00000 0.06467
212 6PX 0.00412 -0.00198 -0.00437 0.00282 0.00147
213 6PY 0.00238 -0.00208 -0.00198 -0.00489 0.00085
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215 7PX -0.06466 0.03593 0.06132 -0.03685 -0.01721
216 7PY -0.03733 0.01983 0.03593 0.06382 -0.00994
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219 8PY -0.00815 0.20121 0.78178 1.50851 -0.04041
220 8PZ 0.36532 -0.39981 -0.69250 0.00000 -0.31474
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228 10D-2 0.00078 -0.00035 -0.00402 -0.00004 0.00604
229 11D 0 -0.03951 -0.02556 -0.04426 0.00000 0.00554
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232 11D+2 -0.00888 0.05685 0.02966 -0.14422 -0.03571
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234 12D 0 -0.18490 -0.37330 -0.64657 0.00000 -0.71384
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237 12D+2 -0.26261 0.28461 0.13272 0.35671 -0.89067
238 12D-2 -0.45486 0.13272 0.43785 -0.20594 -1.54268
239 13F 0 -0.00288 -0.00287 -0.00497 0.00000 -0.00385
240 13F+1 -0.00310 -0.00416 -0.00322 0.00363 0.00029
241 13F-1 -0.00179 0.00158 -0.00416 -0.00629 0.00016
242 13F+2 0.00231 -0.00004 -0.00334 0.00556 0.00044
243 13F-2 0.00399 -0.00334 -0.00390 -0.00321 0.00077
244 13F+3 0.00000 -0.00004 0.00002 -0.02051 0.00000
245 13F-3 0.00276 0.00232 0.00401 0.00000 0.00433
246 14F 0 0.00888 0.07535 0.13051 0.00000 0.10678
247 14F+1 0.01042 0.04463 -0.03431 -0.09053 0.00380
248 14F-1 0.00602 -0.08584 0.04463 0.15681 0.00220
249 14F+2 -0.02087 -0.16647 0.06968 0.15249 -0.02130
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436 14F-3 -0.08125 -0.01303 -0.02258 0.00000 0.24317
81 82 83 84 85
(EG)--V (EG)--V (EU)--V (EU)--V (EU)--V
Eigenvalues -- 0.78425 0.78425 0.78768 0.78768 0.85283
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187 11D-2 0.00000 0.00000 0.00000 -0.19754 0.00000
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195 13F-1 0.01254 0.01118 -0.00279 0.00000 0.00466
196 13F+2 -0.00131 -0.00518 0.00075 0.00000 -0.01166
197 13F-2 0.00000 0.00000 0.00000 0.00375 0.00000
198 13F+3 0.00000 0.00000 0.00000 -0.00950 0.00000
199 13F-3 0.01325 -0.00003 0.00071 0.00000 -0.00306
200 14F 0 -0.02049 0.02262 -0.06665 0.00000 0.08615
201 14F+1 0.00000 0.00000 0.00000 -0.16141 0.00000
202 14F-1 0.18112 0.19673 -0.09743 0.00000 0.15204
203 14F+2 -0.15020 -0.04763 -0.07983 0.00000 0.10640
204 14F-2 0.00000 0.00000 0.00000 -0.02556 0.00000
205 14F+3 0.00000 0.00000 0.00000 -0.29631 0.00000
206 14F-3 0.07522 -0.06514 -0.13867 0.00000 0.04039
207 4 H 1S 0.00106 0.00046 0.00157 -0.00272 -0.00840
208 2S 0.02937 -0.08683 -0.09520 0.16489 0.00907
209 3S -4.90522 -3.67961 1.36290 -2.36061 -5.64661
210 4S -15.00576 -3.45427 -10.56078 18.29181 -11.88451
211 5S 0.40708 -0.02047 0.12477 -0.21611 -0.15231
212 6PX 0.00123 0.00632 -0.00226 0.00646 0.01070
213 6PY 0.00472 0.00365 -0.00385 0.00226 0.00618
214 6PZ -0.00364 -0.00523 0.00235 -0.00406 0.00239
215 7PX -0.04726 -0.07917 -0.02199 -0.00751 -0.12907
216 7PY -0.04445 -0.04571 0.03290 0.02199 -0.07452
217 7PZ 0.02636 0.04493 -0.01043 0.01806 -0.01192
218 8PX -1.14848 0.53862 1.62730 -1.05835 -0.39804
219 8PY -1.65029 0.31097 -0.82070 -1.62730 -0.22981
220 8PZ -0.40193 2.13545 0.35786 -0.61983 2.16755
221 9PX -1.36297 -0.16172 0.96214 3.35167 -1.56859
222 9PY -4.87402 -0.09337 -4.46265 -0.96214 -0.90563
223 9PZ -2.10211 1.33028 2.50930 -4.34624 4.30259
224 10D 0 -0.00282 0.00824 0.00472 -0.00817 0.00775
225 10D+1 0.00454 -0.00705 -0.00065 0.00214 -0.00023
226 10D-1 0.00049 -0.00407 -0.00139 0.00065 -0.00013
227 10D+2 -0.00316 -0.00295 -0.01254 -0.00341 -0.00392
228 10D-2 0.00460 -0.00512 0.00341 0.00860 -0.00679
229 11D 0 0.08759 -0.14009 -0.05697 0.09868 -0.07831
230 11D+1 -0.05318 0.13782 -0.00266 0.00091 0.07739
231 11D-1 0.00828 0.07957 0.00217 0.00266 0.04468
232 11D+2 0.01411 0.01854 0.17108 0.04583 -0.00191
233 11D-2 -0.12856 0.03211 -0.04583 -0.11816 -0.00331
234 12D 0 0.71632 -2.15863 -0.51894 0.89884 -2.09842
235 12D+1 -0.99147 0.46469 0.14229 0.26230 0.03110
236 12D-1 0.25435 0.26829 -0.42660 -0.14229 0.01796
237 12D+2 0.33069 -0.11433 2.27825 0.46086 0.09279
238 12D-2 -0.76089 -0.19803 -0.46086 -1.74609 0.16072
239 13F 0 -0.00113 -0.00106 0.00068 -0.00119 0.00043
240 13F+1 0.00459 -0.00968 -0.00185 0.00172 -0.00403
241 13F-1 0.00458 -0.00559 0.00041 0.00185 -0.00233
242 13F+2 0.00037 0.00259 -0.00263 -0.00195 0.00583
243 13F-2 -0.00097 0.00449 0.00195 0.00037 0.01010
244 13F+3 0.00233 0.00000 0.00823 0.00475 0.00000
245 13F-3 -0.00662 -0.00003 -0.00035 0.00061 -0.00306
246 14F 0 0.01024 0.02262 0.03332 -0.05772 0.08615
247 14F+1 0.08660 -0.17037 -0.11208 0.03272 -0.13167
248 14F-1 0.03113 -0.09837 0.09670 0.11208 -0.07602
249 14F+2 -0.10288 0.02381 -0.00079 0.04564 -0.05320
250 14F-2 -0.02732 0.04125 -0.04564 0.05348 -0.09214
251 14F+3 0.04445 0.00000 0.25661 0.14816 0.00000
252 14F-3 -0.03761 -0.06514 0.06934 -0.12009 0.04039
253 5 H 1S 0.00106 0.00046 0.00157 0.00272 -0.00840
254 2S 0.02937 -0.08683 -0.09520 -0.16489 0.00907
255 3S -4.90522 -3.67961 1.36290 2.36061 -5.64661
256 4S -15.00576 -3.45427 -10.56078 -18.29181 -11.88451
257 5S 0.40708 -0.02047 0.12477 0.21611 -0.15231
258 6PX -0.00123 -0.00632 0.00226 0.00646 -0.01070
259 6PY 0.00472 0.00365 -0.00385 -0.00226 0.00618
260 6PZ -0.00364 -0.00523 0.00235 0.00406 0.00239
261 7PX 0.04726 0.07917 0.02199 -0.00751 0.12907
262 7PY -0.04445 -0.04571 0.03290 -0.02199 -0.07452
263 7PZ 0.02636 0.04493 -0.01043 -0.01806 -0.01192
264 8PX 1.14848 -0.53862 -1.62730 -1.05835 0.39804
265 8PY -1.65029 0.31097 -0.82070 1.62730 -0.22981
266 8PZ -0.40193 2.13545 0.35786 0.61983 2.16755
267 9PX 1.36297 0.16172 -0.96214 3.35167 1.56859
268 9PY -4.87402 -0.09337 -4.46265 0.96214 -0.90563
269 9PZ -2.10211 1.33028 2.50930 4.34624 4.30259
270 10D 0 -0.00282 0.00824 0.00472 0.00817 0.00775
271 10D+1 -0.00454 0.00705 0.00065 0.00214 0.00023
272 10D-1 0.00049 -0.00407 -0.00139 -0.00065 -0.00013
273 10D+2 -0.00316 -0.00295 -0.01254 0.00341 -0.00392
274 10D-2 -0.00460 0.00512 -0.00341 0.00860 0.00679
275 11D 0 0.08759 -0.14009 -0.05697 -0.09868 -0.07831
276 11D+1 0.05318 -0.13782 0.00266 0.00091 -0.07739
277 11D-1 0.00828 0.07957 0.00217 -0.00266 0.04468
278 11D+2 0.01411 0.01854 0.17108 -0.04583 -0.00191
279 11D-2 0.12856 -0.03211 0.04583 -0.11816 0.00331
280 12D 0 0.71632 -2.15863 -0.51894 -0.89884 -2.09842
281 12D+1 0.99147 -0.46469 -0.14229 0.26230 -0.03110
282 12D-1 0.25435 0.26829 -0.42660 0.14229 0.01796
283 12D+2 0.33069 -0.11433 2.27825 -0.46086 0.09279
284 12D-2 0.76089 0.19803 0.46086 -1.74609 -0.16072
285 13F 0 -0.00113 -0.00106 0.00068 0.00119 0.00043
286 13F+1 -0.00459 0.00968 0.00185 0.00172 0.00403
287 13F-1 0.00458 -0.00559 0.00041 -0.00185 -0.00233
288 13F+2 0.00037 0.00259 -0.00263 0.00195 0.00583
289 13F-2 0.00097 -0.00449 -0.00195 0.00037 -0.01010
290 13F+3 -0.00233 0.00000 -0.00823 0.00475 0.00000
291 13F-3 -0.00662 -0.00003 -0.00035 -0.00061 -0.00306
292 14F 0 0.01024 0.02262 0.03332 0.05772 0.08615
293 14F+1 -0.08660 0.17037 0.11208 0.03272 0.13167
294 14F-1 0.03113 -0.09837 0.09670 -0.11208 -0.07602
295 14F+2 -0.10288 0.02381 -0.00079 -0.04564 -0.05320
296 14F-2 0.02732 -0.04125 0.04564 0.05348 0.09214
297 14F+3 -0.04445 0.00000 -0.25661 0.14816 0.00000
298 14F-3 -0.03761 -0.06514 0.06934 0.12009 0.04039
299 6 H 1S 0.00211 0.00046 -0.00314 0.00000 0.00840
300 2S 0.05874 -0.08683 0.19040 0.00000 -0.00907
301 3S -9.81044 -3.67961 -2.72579 0.00000 5.64661
302 4S -30.01151 -3.45427 21.12156 0.00000 11.88451
303 5S 0.81416 -0.02047 -0.24954 0.00000 0.15231
304 6PX 0.00000 0.00000 0.00000 -0.00254 0.00000
305 6PY 0.00684 0.00730 0.00777 0.00000 -0.01236
306 6PZ 0.00729 0.00523 0.00469 0.00000 0.00239
307 7PX 0.00000 0.00000 0.00000 0.04560 0.00000
308 7PY -0.12632 -0.09141 0.00519 0.00000 0.14904
309 7PZ -0.05272 -0.04493 -0.02085 0.00000 -0.01192
310 8PX 0.00000 0.00000 0.00000 -1.76022 0.00000
311 8PY -3.63951 0.62194 -1.99787 0.00000 0.45962
312 8PZ 0.80386 -2.13545 0.71572 0.00000 2.16755
313 9PX 0.00000 0.00000 0.00000 -5.01814 0.00000
314 9PY -7.23476 -0.18673 2.79618 0.00000 1.81125
315 9PZ 4.20421 -1.33028 5.01861 0.00000 4.30259
316 10D 0 -0.00564 0.00824 -0.00943 0.00000 -0.00775
317 10D+1 0.00000 0.00000 0.00000 0.00101 0.00000
318 10D-1 -0.00836 0.00815 -0.00252 0.00000 -0.00026
319 10D+2 -0.00481 0.00591 -0.00663 0.00000 -0.00784
320 10D-2 0.00000 0.00000 0.00000 0.01450 0.00000
321 11D 0 0.17518 -0.14009 0.11394 0.00000 0.07831
322 11D+1 0.00000 0.00000 0.00000 -0.00371 0.00000
323 11D-1 0.08382 -0.15914 -0.00245 0.00000 0.08936
324 11D+2 0.20856 -0.03708 0.09171 0.00000 -0.00382
325 11D-2 0.00000 0.00000 0.00000 -0.19754 0.00000
326 12D 0 1.43263 -2.15863 1.03789 0.00000 2.09842
327 12D+1 0.00000 0.00000 0.00000 0.50875 0.00000
328 12D-1 1.46292 -0.53658 -0.18014 0.00000 0.03591
329 12D+2 0.98721 0.22867 1.48001 0.00000 0.18558
330 12D-2 0.00000 0.00000 0.00000 -2.54432 0.00000
331 13F 0 0.00227 0.00106 0.00137 0.00000 0.00043
332 13F+1 0.00000 0.00000 0.00000 0.00148 0.00000
333 13F-1 0.01254 -0.01118 0.00279 0.00000 0.00466
334 13F+2 -0.00131 0.00518 -0.00075 0.00000 -0.01166
335 13F-2 0.00000 0.00000 0.00000 -0.00375 0.00000
336 13F+3 0.00000 0.00000 0.00000 0.00950 0.00000
337 13F-3 0.01325 0.00003 -0.00071 0.00000 -0.00306
338 14F 0 -0.02049 -0.02262 0.06665 0.00000 0.08615
339 14F+1 0.00000 0.00000 0.00000 0.16141 0.00000
340 14F-1 0.18112 -0.19673 0.09743 0.00000 0.15204
341 14F+2 -0.15020 0.04763 0.07983 0.00000 0.10640
342 14F-2 0.00000 0.00000 0.00000 0.02556 0.00000
343 14F+3 0.00000 0.00000 0.00000 0.29631 0.00000
344 14F-3 0.07522 0.06514 0.13867 0.00000 0.04039
345 7 H 1S -0.00106 0.00046 0.00157 0.00272 0.00840
346 2S -0.02937 -0.08683 -0.09520 -0.16489 -0.00907
347 3S 4.90522 -3.67961 1.36290 2.36061 5.64661
348 4S 15.00576 -3.45427 -10.56078 -18.29181 11.88451
349 5S -0.40708 -0.02047 0.12477 0.21611 0.15231
350 6PX -0.00123 0.00632 -0.00226 -0.00646 -0.01070
351 6PY 0.00472 -0.00365 0.00385 0.00226 0.00618
352 6PZ -0.00364 0.00523 -0.00235 -0.00406 0.00239
353 7PX 0.04726 -0.07917 -0.02199 0.00751 0.12907
354 7PY -0.04445 0.04571 -0.03290 0.02199 -0.07452
355 7PZ 0.02636 -0.04493 0.01043 0.01806 -0.01192
356 8PX 1.14848 0.53862 1.62730 1.05835 0.39804
357 8PY -1.65029 -0.31097 0.82070 -1.62730 -0.22981
358 8PZ -0.40193 -2.13545 -0.35786 -0.61983 2.16755
359 9PX 1.36297 -0.16172 0.96214 -3.35167 1.56859
360 9PY -4.87402 0.09337 4.46265 -0.96214 -0.90563
361 9PZ -2.10211 -1.33028 -2.50930 -4.34624 4.30259
362 10D 0 0.00282 0.00824 0.00472 0.00817 -0.00775
363 10D+1 0.00454 0.00705 0.00065 0.00214 -0.00023
364 10D-1 -0.00049 -0.00407 -0.00139 -0.00065 0.00013
365 10D+2 0.00316 -0.00295 -0.01254 0.00341 0.00392
366 10D-2 0.00460 0.00512 -0.00341 0.00860 -0.00679
367 11D 0 -0.08759 -0.14009 -0.05697 -0.09868 0.07831
368 11D+1 -0.05318 -0.13782 0.00266 0.00091 0.07739
369 11D-1 -0.00828 0.07957 0.00217 -0.00266 -0.04468
370 11D+2 -0.01411 0.01854 0.17108 -0.04583 0.00191
371 11D-2 -0.12856 -0.03211 0.04583 -0.11816 -0.00331
372 12D 0 -0.71632 -2.15863 -0.51894 -0.89884 2.09842
373 12D+1 -0.99147 -0.46469 -0.14229 0.26230 0.03110
374 12D-1 -0.25435 0.26829 -0.42660 0.14229 -0.01796
375 12D+2 -0.33069 -0.11433 2.27825 -0.46086 -0.09279
376 12D-2 -0.76089 0.19803 0.46086 -1.74609 0.16072
377 13F 0 -0.00113 0.00106 -0.00068 -0.00119 0.00043
378 13F+1 -0.00459 -0.00968 -0.00185 -0.00172 0.00403
379 13F-1 0.00458 0.00559 -0.00041 0.00185 -0.00233
380 13F+2 0.00037 -0.00259 0.00263 -0.00195 0.00583
381 13F-2 0.00097 0.00449 0.00195 -0.00037 -0.01010
382 13F+3 -0.00233 0.00000 0.00823 -0.00475 0.00000
383 13F-3 -0.00662 0.00003 0.00035 0.00061 -0.00306
384 14F 0 0.01024 -0.02262 -0.03332 -0.05772 0.08615
385 14F+1 -0.08660 -0.17037 -0.11208 -0.03272 0.13167
386 14F-1 0.03113 0.09837 -0.09670 0.11208 -0.07602
387 14F+2 -0.10288 -0.02381 0.00079 0.04564 -0.05320
388 14F-2 0.02732 0.04125 -0.04564 -0.05348 0.09214
389 14F+3 -0.04445 0.00000 0.25661 -0.14816 0.00000
390 14F-3 -0.03761 0.06514 -0.06934 -0.12009 0.04039
391 8 H 1S -0.00106 0.00046 0.00157 -0.00272 0.00840
392 2S -0.02937 -0.08683 -0.09520 0.16489 -0.00907
393 3S 4.90522 -3.67961 1.36290 -2.36061 5.64661
394 4S 15.00576 -3.45427 -10.56078 18.29181 11.88451
395 5S -0.40708 -0.02047 0.12477 -0.21611 0.15231
396 6PX 0.00123 -0.00632 0.00226 -0.00646 0.01070
397 6PY 0.00472 -0.00365 0.00385 -0.00226 0.00618
398 6PZ -0.00364 0.00523 -0.00235 0.00406 0.00239
399 7PX -0.04726 0.07917 0.02199 0.00751 -0.12907
400 7PY -0.04445 0.04571 -0.03290 -0.02199 -0.07452
401 7PZ 0.02636 -0.04493 0.01043 -0.01806 -0.01192
402 8PX -1.14848 -0.53862 -1.62730 1.05835 -0.39804
403 8PY -1.65029 -0.31097 0.82070 1.62730 -0.22981
404 8PZ -0.40193 -2.13545 -0.35786 0.61983 2.16755
405 9PX -1.36297 0.16172 -0.96214 -3.35167 -1.56859
406 9PY -4.87402 0.09337 4.46265 0.96214 -0.90563
407 9PZ -2.10211 -1.33028 -2.50930 4.34624 4.30259
408 10D 0 0.00282 0.00824 0.00472 -0.00817 -0.00775
409 10D+1 -0.00454 -0.00705 -0.00065 0.00214 0.00023
410 10D-1 -0.00049 -0.00407 -0.00139 0.00065 0.00013
411 10D+2 0.00316 -0.00295 -0.01254 -0.00341 0.00392
412 10D-2 -0.00460 -0.00512 0.00341 0.00860 0.00679
413 11D 0 -0.08759 -0.14009 -0.05697 0.09868 0.07831
414 11D+1 0.05318 0.13782 -0.00266 0.00091 -0.07739
415 11D-1 -0.00828 0.07957 0.00217 0.00266 -0.04468
416 11D+2 -0.01411 0.01854 0.17108 0.04583 0.00191
417 11D-2 0.12856 0.03211 -0.04583 -0.11816 0.00331
418 12D 0 -0.71632 -2.15863 -0.51894 0.89884 2.09842
419 12D+1 0.99147 0.46469 0.14229 0.26230 -0.03110
420 12D-1 -0.25435 0.26829 -0.42660 -0.14229 -0.01796
421 12D+2 -0.33069 -0.11433 2.27825 0.46086 -0.09279
422 12D-2 0.76089 -0.19803 -0.46086 -1.74609 -0.16072
423 13F 0 -0.00113 0.00106 -0.00068 0.00119 0.00043
424 13F+1 0.00459 0.00968 0.00185 -0.00172 -0.00403
425 13F-1 0.00458 0.00559 -0.00041 -0.00185 -0.00233
426 13F+2 0.00037 -0.00259 0.00263 0.00195 0.00583
427 13F-2 -0.00097 -0.00449 -0.00195 -0.00037 0.01010
428 13F+3 0.00233 0.00000 -0.00823 -0.00475 0.00000
429 13F-3 -0.00662 0.00003 0.00035 -0.00061 -0.00306
430 14F 0 0.01024 -0.02262 -0.03332 0.05772 0.08615
431 14F+1 0.08660 0.17037 0.11208 -0.03272 -0.13167
432 14F-1 0.03113 0.09837 -0.09670 -0.11208 -0.07602
433 14F+2 -0.10288 -0.02381 0.00079 -0.04564 -0.05320
434 14F-2 -0.02732 -0.04125 0.04564 -0.05348 -0.09214
435 14F+3 0.04445 0.00000 -0.25661 -0.14816 0.00000
436 14F-3 -0.03761 0.06514 -0.06934 0.12009 0.04039
96 97 98 99 100
(A2G)--V (EG)--V (EG)--V (EU)--V (EU)--V
Eigenvalues -- 0.96358 0.97514 0.97514 0.98271 0.98271
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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 7PX 0.00000 0.00000 -0.02075 -0.00151 0.00000
8 7PY 0.00000 -0.02075 0.00000 0.00000 0.00151
9 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
10 8PX 0.00000 0.00000 0.09660 -0.03427 0.00000
11 8PY 0.00000 0.09660 0.00000 0.00000 0.03427
12 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
13 9PX 0.00000 0.00000 0.85594 0.32488 0.00000
14 9PY 0.00000 0.85594 0.00000 0.00000 -0.32488
15 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
16 10PX 0.00000 0.00000 6.74645 0.06037 0.00000
17 10PY 0.00000 6.74645 0.00000 0.00000 -0.06037
18 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000
19 11PX 0.00000 0.00000 -0.85631 -0.81072 0.00000
20 11PY 0.00000 -0.85631 0.00000 0.00000 0.81072
21 11PZ 0.00000 0.00000 0.00000 0.00000 0.00000
22 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000
23 12D+1 0.00000 0.00000 0.01150 0.01230 0.00000
24 12D-1 0.00000 0.01150 0.00000 0.00000 -0.01230
25 12D+2 0.00000 0.01457 0.00000 0.00000 -0.02311
26 12D-2 0.00000 0.00000 0.01457 0.02311 0.00000
27 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000
28 13D+1 0.00000 0.00000 -0.00122 0.09755 0.00000
29 13D-1 0.00000 -0.00122 0.00000 0.00000 -0.09755
30 13D+2 0.00000 -0.17352 0.00000 0.00000 0.19020
31 13D-2 0.00000 0.00000 -0.17352 -0.19020 0.00000
32 14D 0 0.00000 0.00000 0.00000 0.00000 0.00000
33 14D+1 0.00000 0.00000 -4.70171 0.95528 0.00000
34 14D-1 0.00000 -4.70171 0.00000 0.00000 -0.95528
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232 11D+2 0.12195 0.13983 0.01634 -0.02816 -0.01889
233 11D-2 0.00098 -0.12195 0.04703 -0.01634 -0.03271
234 12D 0 0.79824 -0.46087 -2.83794 1.63849 -0.65534
235 12D+1 1.68158 0.27025 0.28640 0.85665 -1.34040
236 12D-1 -0.27025 -1.99363 -0.85665 -1.27557 -0.77388
237 12D+2 1.15158 1.99062 -0.24000 1.05703 0.26899
238 12D-2 -0.66089 -1.15158 -1.33416 0.24000 0.46590
239 13F 0 0.00206 -0.00119 -0.00599 0.00346 0.00020
240 13F+1 0.00107 0.00096 0.00227 -0.00209 0.00570
241 13F-1 -0.00096 -0.00218 0.00209 0.00014 0.00329
242 13F+2 -0.00346 -0.00407 -0.00172 0.00138 0.00282
243 13F-2 0.00007 0.00346 -0.00336 0.00172 0.00488
244 13F+3 0.00790 0.01369 0.00036 0.00062 0.00000
245 13F-3 0.00467 -0.00269 0.00414 -0.00239 -0.00335
246 14F 0 -0.14046 0.08109 0.23135 -0.13357 0.17873
247 14F+1 -0.06182 -0.08736 -0.17676 0.11691 -0.02704
248 14F-1 0.08736 0.16270 -0.11691 0.04176 -0.01561
249 14F+2 0.16969 0.13584 0.07622 0.03735 -0.11996
250 14F-2 0.06009 -0.16969 0.05066 -0.07622 -0.20777
251 14F+3 0.07774 0.13464 0.04212 0.07295 0.00000
252 14F-3 0.10606 -0.06123 -0.20876 0.12053 0.05387
253 5 H 1S -0.01909 -0.01102 -0.00013 -0.00007 -0.01373
254 2S -0.00825 -0.00476 -0.15217 -0.08786 -0.24119
255 3S -6.65124 -3.84009 -17.19341 -9.92662 -1.79271
256 4S -25.91127 -14.95988 -12.45459 -7.19066 -4.29013
257 5S -0.29985 -0.17312 -0.74157 -0.42815 -0.24206
258 6PX -0.00648 -0.01017 -0.01455 -0.00838 -0.01050
259 6PY 0.01017 -0.00526 0.00838 0.00488 0.00606
260 6PZ 0.00747 0.00431 -0.01090 -0.00629 -0.00478
261 7PX 0.07117 0.08873 0.18329 0.11106 0.17131
262 7PY -0.08873 0.03129 -0.11106 -0.05504 -0.09891
263 7PZ -0.07172 -0.04141 0.10272 0.05931 0.06869
264 8PX 1.20120 -1.07712 2.63518 1.37271 0.29043
265 8PY 1.07712 -2.44495 -1.37271 -1.05012 -0.16768
266 8PZ -0.57535 -0.33218 1.26777 0.73195 -0.40514
267 9PX 3.59832 -3.68079 2.10930 1.84353 -0.39007
268 9PY 3.68079 -7.84853 -1.84353 0.01942 0.22521
269 9PZ 7.46337 4.30898 -0.41568 -0.23999 -1.00780
270 10D 0 0.00391 0.00226 -0.00358 -0.00207 0.00613
271 10D+1 -0.00510 -0.00232 -0.00324 -0.00301 -0.00872
272 10D-1 0.00232 0.00242 0.00301 -0.00023 0.00503
273 10D+2 0.00494 -0.00913 -0.00258 0.00158 -0.00357
274 10D-2 0.00342 -0.00494 0.00140 0.00258 0.00618
275 11D 0 0.00435 0.00251 0.07680 0.04434 0.00873
276 11D+1 0.08518 0.03234 -0.05109 -0.02057 0.03692
277 11D-1 -0.03234 -0.04783 0.02057 0.02733 -0.02131
278 11D+2 -0.12195 0.13983 -0.01634 -0.02816 -0.01889
279 11D-2 0.00098 0.12195 0.04703 0.01634 0.03271
280 12D 0 -0.79824 -0.46087 2.83794 1.63849 -0.65534
281 12D+1 1.68158 -0.27025 0.28640 -0.85665 1.34040
282 12D-1 0.27025 -1.99363 0.85665 -1.27557 -0.77388
283 12D+2 -1.15158 1.99062 0.24000 1.05703 0.26899
284 12D-2 -0.66089 1.15158 -1.33416 -0.24000 -0.46590
285 13F 0 -0.00206 -0.00119 0.00599 0.00346 0.00020
286 13F+1 0.00107 -0.00096 0.00227 0.00209 -0.00570
287 13F-1 0.00096 -0.00218 -0.00209 0.00014 0.00329
288 13F+2 0.00346 -0.00407 0.00172 0.00138 0.00282
289 13F-2 0.00007 -0.00346 -0.00336 -0.00172 -0.00488
290 13F+3 0.00790 -0.01369 0.00036 -0.00062 0.00000
291 13F-3 -0.00467 -0.00269 -0.00414 -0.00239 -0.00335
292 14F 0 0.14046 0.08109 -0.23135 -0.13357 0.17873
293 14F+1 -0.06182 0.08736 -0.17676 -0.11691 0.02704
294 14F-1 -0.08736 0.16270 0.11691 0.04176 -0.01561
295 14F+2 -0.16969 0.13584 -0.07622 0.03735 -0.11996
296 14F-2 0.06009 0.16969 0.05066 0.07622 0.20777
297 14F+3 0.07774 -0.13464 0.04212 -0.07295 0.00000
298 14F-3 -0.10606 -0.06123 0.20876 0.12053 0.05387
299 6 H 1S 0.00000 -0.02205 0.00000 0.00015 -0.01373
300 2S 0.00000 -0.00953 0.00000 0.17571 -0.24119
301 3S 0.00000 -7.68018 0.00000 19.85324 -1.79271
302 4S 0.00000 -29.91975 0.00000 14.38132 -4.29013
303 5S 0.00000 -0.34624 0.00000 0.85629 -0.24206
304 6PX 0.01113 0.00000 0.00004 0.00000 0.00000
305 6PY 0.00000 0.01235 0.00000 -0.01939 0.01213
306 6PZ 0.00000 -0.00862 0.00000 -0.01259 0.00478
307 7PX -0.08253 0.00000 0.00908 0.00000 0.00000
308 7PY 0.00000 -0.12240 0.00000 0.24741 -0.19781
309 7PZ 0.00000 0.08281 0.00000 0.11861 -0.06869
310 8PX 3.06682 0.00000 -0.25759 0.00000 0.00000
311 8PY 0.00000 -0.57933 0.00000 3.42772 -0.33536
312 8PZ 0.00000 0.66436 0.00000 1.46390 0.40514
313 9PX 9.97363 0.00000 1.08379 0.00000 0.00000
314 9PY 0.00000 -1.47321 0.00000 3.17366 0.45042
315 9PZ 0.00000 -8.61796 0.00000 -0.47999 1.00780
316 10D 0 0.00000 0.00451 0.00000 0.00414 0.00613
317 10D+1 0.00109 0.00000 0.00197 0.00000 0.00000
318 10D-1 0.00000 -0.00643 0.00000 0.00498 -0.01007
319 10D+2 0.00000 0.00057 0.00000 -0.00289 0.00714
320 10D-2 -0.01198 0.00000 -0.00307 0.00000 0.00000
321 11D 0 0.00000 0.00503 0.00000 -0.08868 0.00873
322 11D+1 -0.02916 0.00000 -0.01545 0.00000 0.00000
323 11D-1 0.00000 0.10385 0.00000 0.06296 0.04263
324 11D+2 0.00000 0.07138 0.00000 -0.05646 0.03777
325 11D-2 0.21024 0.00000 0.01873 0.00000 0.00000
326 12D 0 0.00000 -0.92173 0.00000 -3.27697 -0.65534
327 12D+1 -2.14966 0.00000 1.77016 0.00000 0.00000
328 12D-1 0.00000 1.52555 0.00000 0.20819 1.54776
329 12D+2 0.00000 0.00397 0.00000 1.47273 -0.53798
330 12D-2 2.65548 0.00000 -0.91846 0.00000 0.00000
331 13F 0 0.00000 0.00238 0.00000 0.00692 -0.00020
332 13F+1 0.00274 0.00000 0.00135 0.00000 0.00000
333 13F-1 0.00000 -0.00052 0.00000 0.00347 0.00659
334 13F+2 0.00000 0.00193 0.00000 -0.00435 0.00564
335 13F-2 0.00607 0.00000 0.00039 0.00000 0.00000
336 13F+3 -0.01581 0.00000 0.00072 0.00000 0.00000
337 13F-3 0.00000 0.00539 0.00000 -0.00479 0.00335
338 14F 0 0.00000 -0.16219 0.00000 -0.26714 -0.17873
339 14F+1 -0.21314 0.00000 -0.02574 0.00000 0.00000
340 14F-1 0.00000 0.01138 0.00000 -0.24426 -0.03123
341 14F+2 0.00000 -0.15806 0.00000 0.09467 -0.23992
342 14F-2 -0.23381 0.00000 0.08135 0.00000 0.00000
343 14F+3 -0.15547 0.00000 0.08424 0.00000 0.00000
344 14F-3 0.00000 0.12247 0.00000 0.24106 -0.05387
345 7 H 1S 0.01909 0.01102 -0.00013 -0.00007 -0.01373
346 2S 0.00825 0.00476 -0.15217 -0.08786 -0.24119
347 3S 6.65124 3.84009 -17.19341 -9.92662 -1.79271
348 4S 25.91127 14.95988 -12.45459 -7.19066 -4.29013
349 5S 0.29985 0.17312 -0.74157 -0.42815 -0.24206
350 6PX -0.00648 -0.01017 0.01455 0.00838 0.01050
351 6PY 0.01017 -0.00526 -0.00838 -0.00488 -0.00606
352 6PZ 0.00747 0.00431 0.01090 0.00629 0.00478
353 7PX 0.07117 0.08873 -0.18329 -0.11106 -0.17131
354 7PY -0.08873 0.03129 0.11106 0.05504 0.09891
355 7PZ -0.07172 -0.04141 -0.10272 -0.05931 -0.06869
356 8PX 1.20120 -1.07712 -2.63518 -1.37271 -0.29043
357 8PY 1.07712 -2.44495 1.37271 1.05012 0.16768
358 8PZ -0.57535 -0.33218 -1.26777 -0.73195 0.40514
359 9PX 3.59832 -3.68079 -2.10930 -1.84353 0.39007
360 9PY 3.68079 -7.84853 1.84353 -0.01942 -0.22521
361 9PZ 7.46337 4.30898 0.41568 0.23999 1.00780
362 10D 0 -0.00391 -0.00226 -0.00358 -0.00207 0.00613
363 10D+1 0.00510 0.00232 -0.00324 -0.00301 -0.00872
364 10D-1 -0.00232 -0.00242 0.00301 -0.00023 0.00503
365 10D+2 -0.00494 0.00913 -0.00258 0.00158 -0.00357
366 10D-2 -0.00342 0.00494 0.00140 0.00258 0.00618
367 11D 0 -0.00435 -0.00251 0.07680 0.04434 0.00873
368 11D+1 -0.08518 -0.03234 -0.05109 -0.02057 0.03692
369 11D-1 0.03234 0.04783 0.02057 0.02733 -0.02131
370 11D+2 0.12195 -0.13983 -0.01634 -0.02816 -0.01889
371 11D-2 -0.00098 -0.12195 0.04703 0.01634 0.03271
372 12D 0 0.79824 0.46087 2.83794 1.63849 -0.65534
373 12D+1 -1.68158 0.27025 0.28640 -0.85665 1.34040
374 12D-1 -0.27025 1.99363 0.85665 -1.27557 -0.77388
375 12D+2 1.15158 -1.99062 0.24000 1.05703 0.26899
376 12D-2 0.66089 -1.15158 -1.33416 -0.24000 -0.46590
377 13F 0 -0.00206 -0.00119 -0.00599 -0.00346 -0.00020
378 13F+1 0.00107 -0.00096 -0.00227 -0.00209 0.00570
379 13F-1 0.00096 -0.00218 0.00209 -0.00014 -0.00329
380 13F+2 0.00346 -0.00407 -0.00172 -0.00138 -0.00282
381 13F-2 0.00007 -0.00346 0.00336 0.00172 0.00488
382 13F+3 0.00790 -0.01369 -0.00036 0.00062 0.00000
383 13F-3 -0.00467 -0.00269 0.00414 0.00239 0.00335
384 14F 0 0.14046 0.08109 0.23135 0.13357 -0.17873
385 14F+1 -0.06182 0.08736 0.17676 0.11691 -0.02704
386 14F-1 -0.08736 0.16270 -0.11691 -0.04176 0.01561
387 14F+2 -0.16969 0.13584 0.07622 -0.03735 0.11996
388 14F-2 0.06009 0.16969 -0.05066 -0.07622 -0.20777
389 14F+3 0.07774 -0.13464 -0.04212 0.07295 0.00000
390 14F-3 -0.10606 -0.06123 -0.20876 -0.12053 -0.05387
391 8 H 1S -0.01909 0.01102 0.00013 -0.00007 -0.01373
392 2S -0.00825 0.00476 0.15217 -0.08786 -0.24119
393 3S -6.65124 3.84009 17.19341 -9.92662 -1.79271
394 4S -25.91127 14.95988 12.45459 -7.19066 -4.29013
395 5S -0.29985 0.17312 0.74157 -0.42815 -0.24206
396 6PX -0.00648 0.01017 0.01455 -0.00838 -0.01050
397 6PY -0.01017 -0.00526 0.00838 -0.00488 -0.00606
398 6PZ -0.00747 0.00431 -0.01090 0.00629 0.00478
399 7PX 0.07117 -0.08873 -0.18329 0.11106 0.17131
400 7PY 0.08873 0.03129 -0.11106 0.05504 0.09891
401 7PZ 0.07172 -0.04141 0.10272 -0.05931 -0.06869
402 8PX 1.20120 1.07712 -2.63518 1.37271 0.29043
403 8PY -1.07712 -2.44495 -1.37271 1.05012 0.16768
404 8PZ 0.57535 -0.33218 1.26777 -0.73195 0.40514
405 9PX 3.59832 3.68079 -2.10930 1.84353 -0.39007
406 9PY -3.68079 -7.84853 -1.84353 -0.01942 -0.22521
407 9PZ -7.46337 4.30898 -0.41568 0.23999 1.00780
408 10D 0 0.00391 -0.00226 0.00358 -0.00207 0.00613
409 10D+1 0.00510 -0.00232 -0.00324 0.00301 0.00872
410 10D-1 0.00232 -0.00242 -0.00301 -0.00023 0.00503
411 10D+2 0.00494 0.00913 0.00258 0.00158 -0.00357
412 10D-2 -0.00342 -0.00494 0.00140 -0.00258 -0.00618
413 11D 0 0.00435 -0.00251 -0.07680 0.04434 0.00873
414 11D+1 -0.08518 0.03234 -0.05109 0.02057 -0.03692
415 11D-1 -0.03234 0.04783 -0.02057 0.02733 -0.02131
416 11D+2 -0.12195 -0.13983 0.01634 -0.02816 -0.01889
417 11D-2 -0.00098 0.12195 0.04703 -0.01634 -0.03271
418 12D 0 -0.79824 0.46087 -2.83794 1.63849 -0.65534
419 12D+1 -1.68158 -0.27025 0.28640 0.85665 -1.34040
420 12D-1 0.27025 1.99363 -0.85665 -1.27557 -0.77388
421 12D+2 -1.15158 -1.99062 -0.24000 1.05703 0.26899
422 12D-2 0.66089 1.15158 -1.33416 0.24000 0.46590
423 13F 0 0.00206 -0.00119 0.00599 -0.00346 -0.00020
424 13F+1 0.00107 0.00096 -0.00227 0.00209 -0.00570
425 13F-1 -0.00096 -0.00218 -0.00209 -0.00014 -0.00329
426 13F+2 -0.00346 -0.00407 0.00172 -0.00138 -0.00282
427 13F-2 0.00007 0.00346 0.00336 -0.00172 -0.00488
428 13F+3 0.00790 0.01369 -0.00036 -0.00062 0.00000
429 13F-3 0.00467 -0.00269 -0.00414 0.00239 0.00335
430 14F 0 -0.14046 0.08109 -0.23135 0.13357 -0.17873
431 14F+1 -0.06182 -0.08736 0.17676 -0.11691 0.02704
432 14F-1 0.08736 0.16270 0.11691 -0.04176 0.01561
433 14F+2 0.16969 0.13584 -0.07622 -0.03735 0.11996
434 14F-2 0.06009 -0.16969 -0.05066 0.07622 0.20777
435 14F+3 0.07774 0.13464 -0.04212 -0.07295 0.00000
436 14F-3 0.10606 -0.06123 0.20876 -0.12053 -0.05387
106 107 108 109 110
(A2U)--V (A1G)--V (A1U)--V (EG)--V (EG)--V
Eigenvalues -- 1.11769 1.13797 1.16556 1.17276 1.17276
1 1 C 1S -0.01295 -0.01431 0.00000 0.00000 0.00000
2 2S -0.00850 0.02467 0.00000 0.00000 0.00000
3 3S -1.21725 -0.10843 0.00000 0.00000 0.00000
4 4S 7.18600 -11.02556 0.00000 0.00000 0.00000
5 5S 56.55189 40.38877 0.00000 0.00000 0.00000
6 6S 17.99147 6.19525 0.00000 0.00000 0.00000
7 7PX 0.00000 0.00000 0.00000 0.00000 0.06572
8 7PY 0.00000 0.00000 0.00000 -0.06572 0.00000
9 7PZ -0.04184 -0.02860 0.00000 0.00000 0.00000
10 8PX 0.00000 0.00000 0.00000 0.00000 -0.04725
11 8PY 0.00000 0.00000 0.00000 0.04725 0.00000
12 8PZ 0.15821 0.14008 0.00000 0.00000 0.00000
13 9PX 0.00000 0.00000 0.00000 0.00000 0.79093
14 9PY 0.00000 0.00000 0.00000 -0.79093 0.00000
15 9PZ -5.03568 4.48739 0.00000 0.00000 0.00000
16 10PX 0.00000 0.00000 0.00000 0.00000 22.25562
17 10PY 0.00000 0.00000 0.00000 -22.25562 0.00000
18 10PZ -36.52437 -3.84151 0.00000 0.00000 0.00000
19 11PX 0.00000 0.00000 0.00000 0.00000 2.39573
20 11PY 0.00000 0.00000 0.00000 -2.39573 0.00000
21 11PZ -4.25400 -0.91035 0.00000 0.00000 0.00000
22 12D 0 -0.02049 0.05290 0.00000 0.00000 0.00000
23 12D+1 0.00000 0.00000 0.00000 0.00000 -0.01402
24 12D-1 0.00000 0.00000 0.00000 0.01402 0.00000
25 12D+2 0.00000 0.00000 0.00000 -0.00402 0.00000
26 12D-2 0.00000 0.00000 0.00000 0.00000 0.00402
27 13D 0 0.12592 -0.48592 0.00000 0.00000 0.00000
28 13D+1 0.00000 0.00000 0.00000 0.00000 0.14559
29 13D-1 0.00000 0.00000 0.00000 -0.14559 0.00000
30 13D+2 0.00000 0.00000 0.00000 0.19523 0.00000
31 13D-2 0.00000 0.00000 0.00000 0.00000 -0.19523
32 14D 0 2.77058 0.97656 0.00000 0.00000 0.00000
33 14D+1 0.00000 0.00000 0.00000 0.00000 -5.69389
34 14D-1 0.00000 0.00000 0.00000 5.69389 0.00000
35 14D+2 0.00000 0.00000 0.00000 -1.17096 0.00000
36 14D-2 0.00000 0.00000 0.00000 0.00000 1.17096
37 15D 0 1.69469 -0.09944 0.00000 0.00000 0.00000
38 15D+1 0.00000 0.00000 0.00000 0.00000 -1.27851
39 15D-1 0.00000 0.00000 0.00000 1.27851 0.00000
40 15D+2 0.00000 0.00000 0.00000 6.00573 0.00000
41 15D-2 0.00000 0.00000 0.00000 0.00000 -6.00573
42 16F 0 0.00638 0.02566 0.00000 0.00000 0.00000
43 16F+1 0.00000 0.00000 0.00000 0.00000 -0.03594
44 16F-1 0.00000 0.00000 0.00000 0.03594 0.00000
45 16F+2 0.00000 0.00000 0.00000 0.00188 0.00000
46 16F-2 0.00000 0.00000 0.00000 0.00000 -0.00188
47 16F+3 0.00000 0.00000 0.00700 0.00000 0.00000
48 16F-3 -0.02300 -0.00713 0.00000 0.00000 0.00000
49 17F 0 -0.74562 -0.39908 0.00000 0.00000 0.00000
50 17F+1 0.00000 0.00000 0.00000 0.00000 0.75552
51 17F-1 0.00000 0.00000 0.00000 -0.75552 0.00000
52 17F+2 0.00000 0.00000 0.00000 0.21523 0.00000
53 17F-2 0.00000 0.00000 0.00000 0.00000 -0.21523
54 17F+3 0.00000 0.00000 -0.25115 0.00000 0.00000
55 17F-3 -0.05458 -0.28087 0.00000 0.00000 0.00000
56 18F 0 -4.85522 -4.69456 0.00000 0.00000 0.00000
57 18F+1 0.00000 0.00000 0.00000 0.00000 4.71719
58 18F-1 0.00000 0.00000 0.00000 -4.71719 0.00000
59 18F+2 0.00000 0.00000 0.00000 -3.38375 0.00000
60 18F-2 0.00000 0.00000 0.00000 0.00000 3.38375
61 18F+3 0.00000 0.00000 3.73541 0.00000 0.00000
62 18F-3 3.78688 -0.45234 0.00000 0.00000 0.00000
63 19G 0 0.02009 0.00630 0.00000 0.00000 0.00000
64 19G+1 0.00000 0.00000 0.00000 0.00000 -0.02872
65 19G-1 0.00000 0.00000 0.00000 0.02872 0.00000
66 19G+2 0.00000 0.00000 0.00000 0.02590 0.00000
67 19G-2 0.00000 0.00000 0.00000 0.00000 -0.02590
68 19G+3 0.00000 0.00000 -0.04481 0.00000 0.00000
69 19G-3 -0.03208 -0.01834 0.00000 0.00000 0.00000
70 19G+4 0.00000 0.00000 0.00000 -0.00087 0.00000
71 19G-4 0.00000 0.00000 0.00000 0.00000 -0.00087
72 20G 0 0.17336 0.16360 0.00000 0.00000 0.00000
73 20G+1 0.00000 0.00000 0.00000 0.00000 -0.26060
74 20G-1 0.00000 0.00000 0.00000 0.26060 0.00000
75 20G+2 0.00000 0.00000 0.00000 0.02897 0.00000
76 20G-2 0.00000 0.00000 0.00000 0.00000 -0.02897
77 20G+3 0.00000 0.00000 0.07151 0.00000 0.00000
78 20G-3 0.04658 -0.04453 0.00000 0.00000 0.00000
79 20G+4 0.00000 0.00000 0.00000 0.03391 0.00000
80 20G-4 0.00000 0.00000 0.00000 0.00000 0.03391
81 2 C 1S 0.01295 -0.01431 0.00000 0.00000 0.00000
82 2S 0.00850 0.02467 0.00000 0.00000 0.00000
83 3S 1.21725 -0.10843 0.00000 0.00000 0.00000
84 4S -7.18600 -11.02556 0.00000 0.00000 0.00000
85 5S -56.55189 40.38877 0.00000 0.00000 0.00000
86 6S -17.99147 6.19525 0.00000 0.00000 0.00000
87 7PX 0.00000 0.00000 0.00000 0.00000 -0.06572
88 7PY 0.00000 0.00000 0.00000 0.06572 0.00000
89 7PZ -0.04184 0.02860 0.00000 0.00000 0.00000
90 8PX 0.00000 0.00000 0.00000 0.00000 0.04725
91 8PY 0.00000 0.00000 0.00000 -0.04725 0.00000
92 8PZ 0.15821 -0.14008 0.00000 0.00000 0.00000
93 9PX 0.00000 0.00000 0.00000 0.00000 -0.79093
94 9PY 0.00000 0.00000 0.00000 0.79093 0.00000
95 9PZ -5.03568 -4.48739 0.00000 0.00000 0.00000
96 10PX 0.00000 0.00000 0.00000 0.00000 -22.25562
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406 9PY 0.90624 0.04901 -1.41630 2.75894 0.98613
407 9PZ 0.25666 -1.63255 0.00000 -1.00031 1.73260
408 10D 0 0.00359 -0.00028 0.00000 0.00447 -0.00774
409 10D+1 -0.00016 0.00620 0.00255 0.00358 -0.00242
410 10D-1 -0.00009 0.00358 -0.00442 -0.00171 -0.00358
411 10D+2 0.00305 -0.00265 0.00490 -0.00046 0.00444
412 10D-2 0.00529 -0.00459 -0.00283 -0.00444 0.00559
413 11D 0 -0.09184 0.03024 0.00000 0.04752 -0.08230
414 11D+1 -0.07614 0.04569 0.00677 -0.05941 0.06463
415 11D-1 -0.04396 0.02638 -0.01172 0.00398 0.05941
416 11D+2 0.02256 -0.01927 -0.09108 -0.01930 0.03801
417 11D-2 0.03908 -0.03338 0.05259 -0.03801 0.06319
418 12D 0 -2.45386 0.12933 0.00000 -0.57635 0.99826
419 12D+1 -0.98243 0.19562 -0.48422 -1.79780 0.50576
420 12D-1 -0.56721 0.11294 0.83869 1.57016 1.79780
421 12D+2 -0.93875 0.64304 -2.08097 0.17770 -0.01812
422 12D-2 -1.62597 1.11378 1.20145 0.01812 -0.19863
423 13F 0 -0.00323 0.01142 0.00000 0.00075 -0.00130
424 13F+1 0.00519 0.00452 0.00412 -0.00773 0.01459
425 13F-1 0.00299 0.00261 -0.00713 -0.00566 0.00773
426 13F+2 0.00253 -0.00485 -0.00770 -0.00159 -0.00348
427 13F-2 0.00438 -0.00840 0.00444 0.00348 -0.00242
428 13F+3 0.00000 0.00000 0.00327 0.00311 0.00179
429 13F-3 -0.00936 0.00409 0.00000 0.00496 -0.00859
430 14F 0 -0.19677 -0.07644 0.00000 -0.11570 0.20040
431 14F+1 0.04267 0.03031 -0.11455 -0.06560 0.00973
432 14F-1 0.02464 0.01750 0.19840 0.06602 0.06560
433 14F+2 0.03732 0.00243 -0.01636 0.19704 0.06159
434 14F-2 0.06464 0.00422 0.00945 -0.06159 -0.12592
435 14F+3 0.00000 0.00000 0.35193 -0.10015 -0.05782
436 14F-3 0.25792 -0.15032 0.00000 -0.02301 0.03986
111 112 113 114 115
(A2U)--V (A1G)--V (EG)--V (EG)--V (EU)--V
Eigenvalues -- 1.18218 1.21104 1.21533 1.21533 1.22627
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2 2S 0.03281 0.02532 0.00000 0.00000 0.00000
3 3S -0.62116 -0.48058 0.00000 0.00000 0.00000
4 4S -2.65237 -2.98792 0.00000 0.00000 0.00000
5 5S 44.68676 47.79852 0.00000 0.00000 0.00000
6 6S 16.93314 3.03580 0.00000 0.00000 0.00000
7 7PX 0.00000 0.00000 0.00000 0.06591 0.06488
8 7PY 0.00000 0.00000 0.06591 0.00000 0.00000
9 7PZ -0.01419 0.05530 0.00000 0.00000 0.00000
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11 8PY 0.00000 0.00000 -0.14836 0.00000 0.00000
12 8PZ -0.02055 -0.01055 0.00000 0.00000 0.00000
13 9PX 0.00000 0.00000 0.00000 5.28318 4.63493
14 9PY 0.00000 0.00000 5.28318 0.00000 0.00000
15 9PZ -4.17982 3.15831 0.00000 0.00000 0.00000
16 10PX 0.00000 0.00000 0.00000 14.95749 27.76731
17 10PY 0.00000 0.00000 14.95749 0.00000 0.00000
18 10PZ 22.61329 9.45375 0.00000 0.00000 0.00000
19 11PX 0.00000 0.00000 0.00000 2.09952 1.83977
20 11PY 0.00000 0.00000 2.09952 0.00000 0.00000
21 11PZ -2.34205 1.11876 0.00000 0.00000 0.00000
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23 12D+1 0.00000 0.00000 0.00000 -0.00119 -0.01448
24 12D-1 0.00000 0.00000 -0.00119 0.00000 0.00000
25 12D+2 0.00000 0.00000 -0.00756 0.00000 0.00000
26 12D-2 0.00000 0.00000 0.00000 -0.00756 0.01752
27 13D 0 -0.00233 -0.13132 0.00000 0.00000 0.00000
28 13D+1 0.00000 0.00000 0.00000 -0.10183 0.16727
29 13D-1 0.00000 0.00000 -0.10183 0.00000 0.00000
30 13D+2 0.00000 0.00000 0.05101 0.00000 0.00000
31 13D-2 0.00000 0.00000 0.00000 0.05101 -0.20147
32 14D 0 -0.04681 -3.51205 0.00000 0.00000 0.00000
33 14D+1 0.00000 0.00000 0.00000 2.29550 4.66227
34 14D-1 0.00000 0.00000 2.29550 0.00000 0.00000
35 14D+2 0.00000 0.00000 -4.87038 0.00000 0.00000
36 14D-2 0.00000 0.00000 0.00000 -4.87038 -3.18059
37 15D 0 -1.39289 -2.23966 0.00000 0.00000 0.00000
38 15D+1 0.00000 0.00000 0.00000 -5.81748 0.86182
39 15D-1 0.00000 0.00000 -5.81748 0.00000 0.00000
40 15D+2 0.00000 0.00000 -1.59814 0.00000 0.00000
41 15D-2 0.00000 0.00000 0.00000 -1.59814 2.05235
42 16F 0 -0.00366 0.00037 0.00000 0.00000 0.00000
43 16F+1 0.00000 0.00000 0.00000 0.00779 0.00153
44 16F-1 0.00000 0.00000 0.00779 0.00000 0.00000
45 16F+2 0.00000 0.00000 0.00350 0.00000 0.00000
46 16F-2 0.00000 0.00000 0.00000 0.00350 -0.00732
47 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000
48 16F-3 0.01217 -0.00417 0.00000 0.00000 0.00000
49 17F 0 -0.24479 -0.33294 0.00000 0.00000 0.00000
50 17F+1 0.00000 0.00000 0.00000 -0.26075 -0.18843
51 17F-1 0.00000 0.00000 -0.26075 0.00000 0.00000
52 17F+2 0.00000 0.00000 -0.14010 0.00000 0.00000
53 17F-2 0.00000 0.00000 0.00000 -0.14010 -0.08292
54 17F+3 0.00000 0.00000 0.00000 0.00000 0.00000
55 17F-3 -0.50014 -0.33867 0.00000 0.00000 0.00000
56 18F 0 -3.17037 -4.88065 0.00000 0.00000 0.00000
57 18F+1 0.00000 0.00000 0.00000 0.16275 5.23286
58 18F-1 0.00000 0.00000 0.16275 0.00000 0.00000
59 18F+2 0.00000 0.00000 -4.54806 0.00000 0.00000
60 18F-2 0.00000 0.00000 0.00000 -4.54806 -6.54449
61 18F+3 0.00000 0.00000 0.00000 0.00000 0.00000
62 18F-3 -3.09000 -2.88384 0.00000 0.00000 0.00000
63 19G 0 0.00268 -0.01975 0.00000 0.00000 0.00000
64 19G+1 0.00000 0.00000 0.00000 -0.00723 0.00125
65 19G-1 0.00000 0.00000 -0.00723 0.00000 0.00000
66 19G+2 0.00000 0.00000 0.02411 0.00000 0.00000
67 19G-2 0.00000 0.00000 0.00000 0.02411 0.00221
68 19G+3 0.00000 0.00000 0.00000 0.00000 0.00000
69 19G-3 0.00643 -0.01160 0.00000 0.00000 0.00000
70 19G+4 0.00000 0.00000 0.02686 0.00000 0.00000
71 19G-4 0.00000 0.00000 0.00000 -0.02686 -0.04114
72 20G 0 0.18862 -0.02356 0.00000 0.00000 0.00000
73 20G+1 0.00000 0.00000 0.00000 -0.11780 -0.18477
74 20G-1 0.00000 0.00000 -0.11780 0.00000 0.00000
75 20G+2 0.00000 0.00000 -0.15769 0.00000 0.00000
76 20G-2 0.00000 0.00000 0.00000 -0.15769 0.13760
77 20G+3 0.00000 0.00000 0.00000 0.00000 0.00000
78 20G-3 -0.28484 -0.41100 0.00000 0.00000 0.00000
79 20G+4 0.00000 0.00000 0.08789 0.00000 0.00000
80 20G-4 0.00000 0.00000 0.00000 -0.08789 0.04715
81 2 C 1S 0.03746 -0.02766 0.00000 0.00000 0.00000
82 2S -0.03281 0.02532 0.00000 0.00000 0.00000
83 3S 0.62116 -0.48058 0.00000 0.00000 0.00000
84 4S 2.65237 -2.98792 0.00000 0.00000 0.00000
85 5S -44.68676 47.79852 0.00000 0.00000 0.00000
86 6S -16.93314 3.03580 0.00000 0.00000 0.00000
87 7PX 0.00000 0.00000 0.00000 -0.06591 0.06488
88 7PY 0.00000 0.00000 -0.06591 0.00000 0.00000
89 7PZ -0.01419 -0.05530 0.00000 0.00000 0.00000
90 8PX 0.00000 0.00000 0.00000 0.14836 0.02844
91 8PY 0.00000 0.00000 0.14836 0.00000 0.00000
92 8PZ -0.02055 0.01055 0.00000 0.00000 0.00000
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94 9PY 0.00000 0.00000 -5.28318 0.00000 0.00000
95 9PZ -4.17982 -3.15831 0.00000 0.00000 0.00000
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97 10PY 0.00000 0.00000 -14.95749 0.00000 0.00000
98 10PZ 22.61329 -9.45375 0.00000 0.00000 0.00000
99 11PX 0.00000 0.00000 0.00000 -2.09952 1.83977
100 11PY 0.00000 0.00000 -2.09952 0.00000 0.00000
101 11PZ -2.34205 -1.11876 0.00000 0.00000 0.00000
102 12D 0 -0.00735 -0.00877 0.00000 0.00000 0.00000
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104 12D-1 0.00000 0.00000 -0.00119 0.00000 0.00000
105 12D+2 0.00000 0.00000 -0.00756 0.00000 0.00000
106 12D-2 0.00000 0.00000 0.00000 -0.00756 -0.01752
107 13D 0 0.00233 -0.13132 0.00000 0.00000 0.00000
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109 13D-1 0.00000 0.00000 -0.10183 0.00000 0.00000
110 13D+2 0.00000 0.00000 0.05101 0.00000 0.00000
111 13D-2 0.00000 0.00000 0.00000 0.05101 0.20147
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113 14D+1 0.00000 0.00000 0.00000 2.29550 -4.66227
114 14D-1 0.00000 0.00000 2.29550 0.00000 0.00000
115 14D+2 0.00000 0.00000 -4.87038 0.00000 0.00000
116 14D-2 0.00000 0.00000 0.00000 -4.87038 3.18059
117 15D 0 1.39289 -2.23966 0.00000 0.00000 0.00000
118 15D+1 0.00000 0.00000 0.00000 -5.81748 -0.86182
119 15D-1 0.00000 0.00000 -5.81748 0.00000 0.00000
120 15D+2 0.00000 0.00000 -1.59814 0.00000 0.00000
121 15D-2 0.00000 0.00000 0.00000 -1.59814 -2.05235
122 16F 0 -0.00366 -0.00037 0.00000 0.00000 0.00000
123 16F+1 0.00000 0.00000 0.00000 -0.00779 0.00153
124 16F-1 0.00000 0.00000 -0.00779 0.00000 0.00000
125 16F+2 0.00000 0.00000 -0.00350 0.00000 0.00000
126 16F-2 0.00000 0.00000 0.00000 -0.00350 -0.00732
127 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000
128 16F-3 0.01217 0.00417 0.00000 0.00000 0.00000
129 17F 0 -0.24479 0.33294 0.00000 0.00000 0.00000
130 17F+1 0.00000 0.00000 0.00000 0.26075 -0.18843
131 17F-1 0.00000 0.00000 0.26075 0.00000 0.00000
132 17F+2 0.00000 0.00000 0.14010 0.00000 0.00000
133 17F-2 0.00000 0.00000 0.00000 0.14010 -0.08292
134 17F+3 0.00000 0.00000 0.00000 0.00000 0.00000
135 17F-3 -0.50014 0.33867 0.00000 0.00000 0.00000
136 18F 0 -3.17037 4.88065 0.00000 0.00000 0.00000
137 18F+1 0.00000 0.00000 0.00000 -0.16275 5.23286
138 18F-1 0.00000 0.00000 -0.16275 0.00000 0.00000
139 18F+2 0.00000 0.00000 4.54806 0.00000 0.00000
140 18F-2 0.00000 0.00000 0.00000 4.54806 -6.54449
141 18F+3 0.00000 0.00000 0.00000 0.00000 0.00000
142 18F-3 -3.09000 2.88384 0.00000 0.00000 0.00000
143 19G 0 -0.00268 -0.01975 0.00000 0.00000 0.00000
144 19G+1 0.00000 0.00000 0.00000 -0.00723 -0.00125
145 19G-1 0.00000 0.00000 -0.00723 0.00000 0.00000
146 19G+2 0.00000 0.00000 0.02411 0.00000 0.00000
147 19G-2 0.00000 0.00000 0.00000 0.02411 -0.00221
148 19G+3 0.00000 0.00000 0.00000 0.00000 0.00000
149 19G-3 -0.00643 -0.01160 0.00000 0.00000 0.00000
150 19G+4 0.00000 0.00000 0.02686 0.00000 0.00000
151 19G-4 0.00000 0.00000 0.00000 -0.02686 0.04114
152 20G 0 -0.18862 -0.02356 0.00000 0.00000 0.00000
153 20G+1 0.00000 0.00000 0.00000 -0.11780 0.18477
154 20G-1 0.00000 0.00000 -0.11780 0.00000 0.00000
155 20G+2 0.00000 0.00000 -0.15769 0.00000 0.00000
156 20G-2 0.00000 0.00000 0.00000 -0.15769 -0.13760
157 20G+3 0.00000 0.00000 0.00000 0.00000 0.00000
158 20G-3 0.28484 -0.41100 0.00000 0.00000 0.00000
159 20G+4 0.00000 0.00000 0.08789 0.00000 0.00000
160 20G-4 0.00000 0.00000 0.00000 -0.08789 -0.04715
161 3 H 1S -0.01147 0.00046 0.02784 0.00000 0.00000
162 2S -0.41004 -0.32703 -0.38471 0.00000 0.00000
163 3S -7.50253 -11.82156 -10.50925 0.00000 0.00000
164 4S -19.81685 -8.90465 -2.28962 0.00000 0.00000
165 5S 0.13266 -0.23547 -1.23120 0.00000 0.00000
166 6PX 0.00000 0.00000 0.00000 -0.01169 0.00338
167 6PY -0.01137 -0.02100 -0.01504 0.00000 0.00000
168 6PZ -0.00897 -0.01665 -0.00781 0.00000 0.00000
169 7PX 0.00000 0.00000 0.00000 0.00980 -0.03191
170 7PY 0.19077 0.26659 0.19866 0.00000 0.00000
171 7PZ 0.12226 0.10816 0.09824 0.00000 0.00000
172 8PX 0.00000 0.00000 0.00000 0.67725 0.77065
173 8PY -0.48627 0.88591 1.09656 0.00000 0.00000
174 8PZ 0.03481 -0.06254 -0.35817 0.00000 0.00000
175 9PX 0.00000 0.00000 0.00000 0.46353 -3.02256
176 9PY 2.61124 1.18584 -0.68833 0.00000 0.00000
177 9PZ 1.79624 0.35610 3.73275 0.00000 0.00000
178 10D 0 -0.00007 -0.00206 0.00173 0.00000 0.00000
179 10D+1 0.00000 0.00000 0.00000 -0.00391 0.00144
180 10D-1 -0.00057 -0.00159 0.00229 0.00000 0.00000
181 10D+2 0.01004 0.00637 0.00432 0.00000 0.00000
182 10D-2 0.00000 0.00000 0.00000 0.00249 -0.00786
183 11D 0 -0.03384 0.05809 -0.03190 0.00000 0.00000
184 11D+1 0.00000 0.00000 0.00000 0.07431 -0.01252
185 11D-1 -0.05822 -0.00475 -0.05223 0.00000 0.00000
186 11D+2 -0.04618 0.04031 -0.05012 0.00000 0.00000
187 11D-2 0.00000 0.00000 0.00000 0.01155 0.09723
188 12D 0 -1.85672 0.63738 -0.79529 0.00000 0.00000
189 12D+1 0.00000 0.00000 0.00000 1.91505 -0.05693
190 12D-1 0.57079 -0.69283 -1.34459 0.00000 0.00000
191 12D+2 -0.77087 -0.79933 -0.31729 0.00000 0.00000
192 12D-2 0.00000 0.00000 0.00000 0.33915 0.65827
193 13F 0 -0.00919 0.00251 0.00615 0.00000 0.00000
194 13F+1 0.00000 0.00000 0.00000 0.00787 0.00667
195 13F-1 0.00727 -0.00310 0.00290 0.00000 0.00000
196 13F+2 0.00366 0.01007 0.00882 0.00000 0.00000
197 13F-2 0.00000 0.00000 0.00000 -0.01131 -0.00640
198 13F+3 0.00000 0.00000 0.00000 0.00007 -0.00028
199 13F-3 -0.00275 -0.00741 0.01588 0.00000 0.00000
200 14F 0 0.14687 -0.11765 -0.16483 0.00000 0.00000
201 14F+1 0.00000 0.00000 0.00000 -0.22128 -0.07040
202 14F-1 0.13424 -0.01272 0.35928 0.00000 0.00000
203 14F+2 -0.06670 -0.16186 -0.17967 0.00000 0.00000
204 14F-2 0.00000 0.00000 0.00000 -0.19026 0.07540
205 14F+3 0.00000 0.00000 0.00000 0.15656 0.28256
206 14F-3 0.01634 0.05859 0.00820 0.00000 0.00000
207 4 H 1S -0.01147 0.00046 -0.01392 -0.02411 0.01099
208 2S -0.41004 -0.32703 0.19235 0.33316 0.13282
209 3S -7.50253 -11.82156 5.25463 9.10128 12.96894
210 4S -19.81685 -8.90465 1.14481 1.98287 26.25292
211 5S 0.13266 -0.23547 0.61560 1.06625 1.87155
212 6PX 0.00985 0.01818 -0.00145 -0.01420 -0.01630
213 6PY 0.00569 0.01050 -0.01253 -0.00145 -0.01136
214 6PZ -0.00897 -0.01665 0.00390 0.00676 0.00947
215 7PX -0.16521 -0.23087 0.08178 0.15145 0.16631
216 7PY -0.09539 -0.13329 0.05702 0.08178 0.11444
217 7PZ 0.12226 0.10816 -0.04912 -0.08508 -0.14259
218 8PX 0.42112 -0.76722 0.18156 0.99173 2.46058
219 8PY 0.24313 -0.44296 0.78208 0.18156 0.97569
220 8PZ 0.03481 -0.06254 0.17908 0.31018 1.00434
221 9PX -2.26140 -1.02697 -0.49877 -0.40037 3.17655
222 9PY -1.30562 -0.59292 0.17557 -0.49877 3.57906
223 9PZ 1.79624 0.35610 -1.86637 -3.23265 -3.32240
224 10D 0 -0.00007 -0.00206 -0.00086 -0.00150 -0.00557
225 10D+1 0.00049 0.00138 0.00268 0.00074 -0.00239
226 10D-1 0.00028 0.00080 -0.00236 0.00268 -0.00221
227 10D+2 -0.00502 -0.00319 0.00295 0.00079 0.00461
228 10D-2 -0.00870 -0.00552 0.00079 0.00386 0.00012
229 11D 0 -0.03384 0.05809 0.01595 0.02763 -0.01678
230 11D+1 0.05042 0.00411 -0.05479 -0.02059 -0.09334
231 11D-1 0.02911 0.00238 0.04268 -0.05479 -0.04667
232 11D+2 0.02309 -0.02015 -0.00387 -0.02670 -0.01204
233 11D-2 0.04000 -0.03491 -0.02670 -0.03470 0.07637
234 12D 0 -1.85672 0.63738 0.39765 0.68874 2.30164
235 12D+1 -0.49432 0.60001 -1.41147 -0.52968 0.02491
236 12D-1 -0.28540 0.34641 1.10014 -1.41147 0.04725
237 12D+2 0.38543 0.39967 0.17504 -0.28425 -0.38581
238 12D-2 0.66759 0.69224 -0.28425 -0.15318 -0.00997
239 13F 0 -0.00919 0.00251 -0.00307 -0.00532 0.00995
240 13F+1 -0.00630 0.00269 -0.00215 0.00414 -0.00508
241 13F-1 -0.00364 0.00155 0.00662 -0.00215 -0.00678
242 13F+2 -0.00183 -0.00504 -0.00628 0.00871 -0.00051
243 13F-2 -0.00317 -0.00872 0.00871 0.00378 -0.00729
244 13F+3 0.00000 0.00000 0.00006 -0.00004 0.00014
245 13F-3 -0.00275 -0.00741 -0.00794 -0.01376 -0.00189
246 14F 0 0.14687 -0.11765 0.08241 0.14274 -0.06248
247 14F+1 -0.11626 0.01102 0.25139 0.21414 0.24937
248 14F-1 -0.06712 0.00636 -0.07614 0.25139 0.18462
249 14F+2 0.03335 0.08093 -0.18762 0.00459 -0.06054
250 14F-2 0.05776 0.14018 0.00459 -0.18232 -0.02946
251 14F+3 0.00000 0.00000 0.13559 -0.07828 -0.14128
252 14F-3 0.01634 0.05859 -0.00410 -0.00710 -0.02765
253 5 H 1S -0.01147 0.00046 -0.01392 0.02411 -0.01099
254 2S -0.41004 -0.32703 0.19235 -0.33316 -0.13282
255 3S -7.50253 -11.82156 5.25463 -9.10128 -12.96894
256 4S -19.81685 -8.90465 1.14481 -1.98287 -26.25292
257 5S 0.13266 -0.23547 0.61560 -1.06625 -1.87155
258 6PX -0.00985 -0.01818 0.00145 -0.01420 -0.01630
259 6PY 0.00569 0.01050 -0.01253 0.00145 0.01136
260 6PZ -0.00897 -0.01665 0.00390 -0.00676 -0.00947
261 7PX 0.16521 0.23087 -0.08178 0.15145 0.16631
262 7PY -0.09539 -0.13329 0.05702 -0.08178 -0.11444
263 7PZ 0.12226 0.10816 -0.04912 0.08508 0.14259
264 8PX -0.42112 0.76722 -0.18156 0.99173 2.46058
265 8PY 0.24313 -0.44296 0.78208 -0.18156 -0.97569
266 8PZ 0.03481 -0.06254 0.17908 -0.31018 -1.00434
267 9PX 2.26140 1.02697 0.49877 -0.40037 3.17655
268 9PY -1.30562 -0.59292 0.17557 0.49877 -3.57906
269 9PZ 1.79624 0.35610 -1.86637 3.23265 3.32240
270 10D 0 -0.00007 -0.00206 -0.00086 0.00150 0.00557
271 10D+1 -0.00049 -0.00138 -0.00268 0.00074 -0.00239
272 10D-1 0.00028 0.00080 -0.00236 -0.00268 0.00221
273 10D+2 -0.00502 -0.00319 0.00295 -0.00079 -0.00461
274 10D-2 0.00870 0.00552 -0.00079 0.00386 0.00012
275 11D 0 -0.03384 0.05809 0.01595 -0.02763 0.01678
276 11D+1 -0.05042 -0.00411 0.05479 -0.02059 -0.09334
277 11D-1 0.02911 0.00238 0.04268 0.05479 0.04667
278 11D+2 0.02309 -0.02015 -0.00387 0.02670 0.01204
279 11D-2 -0.04000 0.03491 0.02670 -0.03470 0.07637
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232 11D+2 -0.09028 -0.04126 -0.01906 -0.06806 0.18658
233 11D-2 0.01204 -0.07146 0.04605 0.01906 -0.10772
234 12D 0 -1.32885 -0.19797 -1.20353 0.69486 0.00000
235 12D+1 -0.04725 -0.93351 1.06079 0.40108 -0.13538
236 12D-1 0.02965 -0.53896 -0.40108 -1.52391 0.23449
237 12D+2 -0.43553 -0.96484 -0.11710 0.21625 2.07901
238 12D-2 0.38581 -1.67116 -0.35148 0.11710 -1.20032
239 13F 0 -0.00574 -0.00142 -0.00584 0.00337 0.00000
240 13F+1 0.00678 -0.00728 0.01234 -0.01060 0.00148
241 13F-1 -0.00275 -0.00420 0.01060 -0.00010 -0.00256
242 13F+2 0.00670 0.00291 0.00118 0.00647 -0.00916
243 13F-2 0.00051 0.00505 -0.00511 -0.00118 0.00529
244 13F+3 0.00024 0.00000 -0.00417 -0.00723 0.01253
245 13F-3 0.00109 0.00589 -0.00664 0.00383 0.00000
246 14F 0 0.03607 -0.02041 0.03024 -0.01746 0.00000
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248 14F-1 -0.03619 0.09121 -0.04589 0.10291 0.05964
249 14F+2 -0.04045 -0.07117 0.16046 0.13005 -0.20428
250 14F-2 0.06054 -0.12327 0.05523 -0.16046 0.11794
251 14F+3 -0.24471 0.00000 -0.00976 -0.01690 0.35853
252 14F-3 0.01596 -0.26275 0.01528 -0.00882 0.00000
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260 6PZ -0.00547 0.00567 -0.01541 -0.00890 0.00000
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263 7PZ 0.08233 -0.00170 0.19169 0.11067 0.00000
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265 8PY -1.33396 -0.34338 -0.47561 0.11989 -0.27808
266 8PZ -0.57986 2.44882 2.01915 1.16576 0.00000
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268 9PY 0.95619 0.17045 0.40577 -0.78637 1.92497
269 9PZ 1.91819 -1.25917 -1.44272 -0.83295 0.00000
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277 11D-1 0.03946 0.02603 0.09715 -0.04602 -0.03644
278 11D+2 -0.09028 -0.04126 0.01906 -0.06806 -0.18658
279 11D-2 -0.01204 0.07146 0.04605 -0.01906 -0.10772
280 12D 0 -1.32885 -0.19797 1.20353 0.69486 0.00000
281 12D+1 0.04725 0.93351 1.06079 -0.40108 -0.13538
282 12D-1 0.02965 -0.53896 0.40108 -1.52391 -0.23449
283 12D+2 -0.43553 -0.96484 0.11710 0.21625 -2.07901
284 12D-2 -0.38581 1.67116 -0.35148 -0.11710 -1.20032
285 13F 0 -0.00574 -0.00142 0.00584 0.00337 0.00000
286 13F+1 -0.00678 0.00728 0.01234 0.01060 0.00148
287 13F-1 -0.00275 -0.00420 -0.01060 -0.00010 0.00256
288 13F+2 0.00670 0.00291 -0.00118 0.00647 0.00916
289 13F-2 -0.00051 -0.00505 -0.00511 0.00118 0.00529
290 13F+3 -0.00024 0.00000 -0.00417 0.00723 0.01253
291 13F-3 0.00109 0.00589 0.00664 0.00383 0.00000
292 14F 0 0.03607 -0.02041 -0.03024 -0.01746 0.00000
293 14F+1 0.18462 -0.15799 -0.15590 -0.04589 -0.03443
294 14F-1 -0.03619 0.09121 0.04589 0.10291 -0.05964
295 14F+2 -0.04045 -0.07117 -0.16046 0.13005 0.20428
296 14F-2 -0.06054 0.12327 0.05523 0.16046 0.11794
297 14F+3 0.24471 0.00000 -0.00976 0.01690 0.35853
298 14F-3 0.01596 -0.26275 -0.01528 -0.00882 0.00000
299 6 H 1S -0.01269 0.00490 0.00000 0.03173 0.00000
300 2S -0.15336 0.18550 0.00000 -0.32334 0.00000
301 3S -14.97525 7.30310 0.00000 -9.88461 0.00000
302 4S -30.31426 -6.98836 0.00000 -14.91574 0.00000
303 5S -2.16108 -1.39366 0.00000 -1.63929 0.00000
304 6PX 0.00000 0.00000 0.00386 0.00000 -0.00417
305 6PY 0.02286 -0.01226 0.00000 0.03054 0.00000
306 6PZ 0.01094 0.00567 0.00000 0.01780 0.00000
307 7PX 0.00000 0.00000 -0.07111 0.00000 0.10394
308 7PY -0.23238 0.17860 0.00000 -0.34176 0.00000
309 7PZ -0.16465 -0.00170 0.00000 -0.22135 0.00000
310 8PX 0.00000 0.00000 -0.39449 0.00000 -0.32110
311 8PY -3.02390 0.68676 0.00000 -0.70389 0.00000
312 8PZ 1.15971 2.44882 0.00000 -2.33152 0.00000
313 9PX 0.00000 0.00000 1.02064 0.00000 2.22276
314 9PY -5.24292 -0.34090 0.00000 -0.08355 0.00000
315 9PZ -3.83638 -1.25917 0.00000 1.66591 0.00000
316 10D 0 0.00643 -0.01308 0.00000 0.00242 0.00000
317 10D+1 0.00000 0.00000 0.00551 0.00000 0.00551
318 10D-1 -0.00366 0.00177 0.00000 -0.00540 0.00000
319 10D+2 0.00279 0.00640 0.00000 0.00793 0.00000
320 10D-2 0.00000 0.00000 0.00072 0.00000 -0.00727
321 11D 0 0.01937 0.09447 0.00000 -0.07779 0.00000
322 11D+1 0.00000 0.00000 -0.10211 0.00000 0.04208
323 11D-1 -0.12029 0.05206 0.00000 -0.12226 0.00000
324 11D+2 0.06942 -0.08252 0.00000 0.03504 0.00000
325 11D-2 0.00000 0.00000 -0.07907 0.00000 0.21545
326 12D 0 -2.65771 0.19797 0.00000 1.38972 0.00000
327 12D+1 0.00000 0.00000 -1.75547 0.00000 0.27077
328 12D-1 0.05219 -1.07792 0.00000 0.82923 0.00000
329 12D+2 -0.23272 -1.92969 0.00000 -0.41909 0.00000
330 12D-2 0.00000 0.00000 0.14864 0.00000 2.40064
331 13F 0 0.01148 -0.00142 0.00000 -0.00674 0.00000
332 13F+1 0.00000 0.00000 -0.00602 0.00000 0.00296
333 13F-1 0.00899 0.00841 0.00000 -0.01846 0.00000
334 13F+2 0.00759 -0.00583 0.00000 0.00443 0.00000
335 13F-2 0.00000 0.00000 -0.00715 0.00000 0.01058
336 13F+3 0.00000 0.00000 0.00834 0.00000 -0.01253
337 13F-3 -0.00218 0.00589 0.00000 -0.00766 0.00000
338 14F 0 -0.07214 -0.02041 0.00000 0.03492 0.00000
339 14F+1 0.00000 0.00000 -0.07642 0.00000 -0.06886
340 14F-1 -0.35597 -0.18243 0.00000 0.18239 0.00000
341 14F+2 0.06441 0.14234 0.00000 -0.14787 0.00000
342 14F-2 0.00000 0.00000 -0.22269 0.00000 0.23588
343 14F+3 0.00000 0.00000 0.01951 0.00000 -0.35853
344 14F-3 -0.03192 -0.26275 0.00000 0.01764 0.00000
345 7 H 1S 0.00634 0.00490 -0.02748 -0.01587 0.00000
346 2S 0.07668 0.18550 0.28002 0.16167 0.00000
347 3S 7.48762 7.30310 8.56032 4.94230 0.00000
348 4S 15.15713 -6.98836 12.91741 7.45787 0.00000
349 5S 1.08054 -1.39366 1.41967 0.81965 0.00000
350 6PX -0.01136 -0.01062 -0.02194 -0.01490 0.00208
351 6PY 0.00318 0.00613 0.01490 0.00474 0.00361
352 6PZ -0.00547 0.00567 -0.01541 -0.00890 0.00000
353 7PX 0.11444 0.15467 0.23854 0.17878 -0.05197
354 7PY -0.03416 -0.08930 -0.17878 -0.03211 -0.09002
355 7PZ 0.08233 -0.00170 0.19169 0.11067 0.00000
356 8PX 0.97569 0.59476 0.42930 0.47561 0.16055
357 8PY -1.33396 -0.34338 -0.47561 0.11989 0.27808
358 8PZ -0.57986 2.44882 2.01915 1.16576 0.00000
359 9PX 3.57906 -0.29523 0.31782 -0.40577 -1.11138
360 9PY 0.95619 0.17045 0.40577 -0.78637 -1.92497
361 9PZ 1.91819 -1.25917 -1.44272 -0.83295 0.00000
362 10D 0 -0.00322 -0.01308 -0.00210 -0.00121 0.00000
363 10D+1 0.00221 0.00154 0.00542 -0.00005 -0.00276
364 10D-1 0.00016 -0.00089 0.00005 -0.00548 -0.00477
365 10D+2 -0.00520 -0.00320 0.00374 0.00144 0.00630
366 10D-2 -0.00461 0.00554 -0.00576 -0.00374 0.00364
367 11D 0 -0.00969 0.09447 0.06737 0.03889 0.00000
368 11D+1 0.04667 0.04508 0.06616 0.09715 -0.02104
369 11D-1 -0.03946 -0.02603 -0.09715 0.04602 -0.03644
370 11D+2 0.09028 0.04126 -0.01906 0.06806 -0.18658
371 11D-2 0.01204 -0.07146 -0.04605 0.01906 -0.10772
372 12D 0 1.32885 0.19797 -1.20353 -0.69486 0.00000
373 12D+1 -0.04725 -0.93351 -1.06079 0.40108 -0.13538
374 12D-1 -0.02965 0.53896 -0.40108 1.52391 -0.23449
375 12D+2 0.43553 0.96484 -0.11710 -0.21625 -2.07901
376 12D-2 0.38581 -1.67116 0.35148 0.11710 -1.20032
377 13F 0 -0.00574 -0.00142 0.00584 0.00337 0.00000
378 13F+1 -0.00678 0.00728 0.01234 0.01060 -0.00148
379 13F-1 -0.00275 -0.00420 -0.01060 -0.00010 -0.00256
380 13F+2 0.00670 0.00291 -0.00118 0.00647 -0.00916
381 13F-2 -0.00051 -0.00505 -0.00511 0.00118 -0.00529
382 13F+3 -0.00024 0.00000 -0.00417 0.00723 -0.01253
383 13F-3 0.00109 0.00589 0.00664 0.00383 0.00000
384 14F 0 0.03607 -0.02041 -0.03024 -0.01746 0.00000
385 14F+1 0.18462 -0.15799 -0.15590 -0.04589 0.03443
386 14F-1 -0.03619 0.09121 0.04589 0.10291 0.05964
387 14F+2 -0.04045 -0.07117 -0.16046 0.13005 -0.20428
388 14F-2 -0.06054 0.12327 0.05523 0.16046 -0.11794
389 14F+3 0.24471 0.00000 -0.00976 0.01690 -0.35853
390 14F-3 0.01596 -0.26275 -0.01528 -0.00882 0.00000
391 8 H 1S 0.00634 0.00490 0.02748 -0.01587 0.00000
392 2S 0.07668 0.18550 -0.28002 0.16167 0.00000
393 3S 7.48762 7.30310 -8.56032 4.94230 0.00000
394 4S 15.15713 -6.98836 -12.91741 7.45787 0.00000
395 5S 1.08054 -1.39366 -1.41967 0.81965 0.00000
396 6PX 0.01136 0.01062 -0.02194 0.01490 0.00208
397 6PY 0.00318 0.00613 -0.01490 0.00474 -0.00361
398 6PZ -0.00547 0.00567 0.01541 -0.00890 0.00000
399 7PX -0.11444 -0.15467 0.23854 -0.17878 -0.05197
400 7PY -0.03416 -0.08930 0.17878 -0.03211 0.09002
401 7PZ 0.08233 -0.00170 -0.19169 0.11067 0.00000
402 8PX -0.97569 -0.59476 0.42930 -0.47561 0.16055
403 8PY -1.33396 -0.34338 0.47561 0.11989 -0.27808
404 8PZ -0.57986 2.44882 -2.01915 1.16576 0.00000
405 9PX -3.57906 0.29523 0.31782 0.40577 -1.11138
406 9PY 0.95619 0.17045 -0.40577 -0.78637 1.92497
407 9PZ 1.91819 -1.25917 1.44272 -0.83295 0.00000
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409 10D+1 -0.00221 -0.00154 0.00542 0.00005 -0.00276
410 10D-1 0.00016 -0.00089 -0.00005 -0.00548 0.00477
411 10D+2 -0.00520 -0.00320 -0.00374 0.00144 -0.00630
412 10D-2 0.00461 -0.00554 -0.00576 0.00374 0.00364
413 11D 0 -0.00969 0.09447 -0.06737 0.03889 0.00000
414 11D+1 -0.04667 -0.04508 0.06616 -0.09715 -0.02104
415 11D-1 -0.03946 -0.02603 0.09715 0.04602 0.03644
416 11D+2 0.09028 0.04126 0.01906 0.06806 0.18658
417 11D-2 -0.01204 0.07146 -0.04605 -0.01906 -0.10772
418 12D 0 1.32885 0.19797 1.20353 -0.69486 0.00000
419 12D+1 0.04725 0.93351 -1.06079 -0.40108 -0.13538
420 12D-1 -0.02965 0.53896 0.40108 1.52391 0.23449
421 12D+2 0.43553 0.96484 0.11710 -0.21625 2.07901
422 12D-2 -0.38581 1.67116 0.35148 -0.11710 -1.20032
423 13F 0 -0.00574 -0.00142 -0.00584 0.00337 0.00000
424 13F+1 0.00678 -0.00728 0.01234 -0.01060 -0.00148
425 13F-1 -0.00275 -0.00420 0.01060 -0.00010 0.00256
426 13F+2 0.00670 0.00291 0.00118 0.00647 0.00916
427 13F-2 0.00051 0.00505 -0.00511 -0.00118 -0.00529
428 13F+3 0.00024 0.00000 -0.00417 -0.00723 -0.01253
429 13F-3 0.00109 0.00589 -0.00664 0.00383 0.00000
430 14F 0 0.03607 -0.02041 0.03024 -0.01746 0.00000
431 14F+1 -0.18462 0.15799 -0.15590 0.04589 0.03443
432 14F-1 -0.03619 0.09121 -0.04589 0.10291 -0.05964
433 14F+2 -0.04045 -0.07117 0.16046 0.13005 0.20428
434 14F-2 0.06054 -0.12327 0.05523 -0.16046 -0.11794
435 14F+3 -0.24471 0.00000 -0.00976 -0.01690 -0.35853
436 14F-3 0.01596 -0.26275 0.01528 -0.00882 0.00000
121 122 123 124 125
(A2U)--V (A1G)--V (EG)--V (EG)--V (EU)--V
Eigenvalues -- 1.31405 1.31828 1.36041 1.36041 1.41058
1 1 C 1S -0.01894 -0.01228 0.00000 0.00000 0.00000
2 2S 0.04431 0.02282 0.00000 0.00000 0.00000
3 3S -0.34715 -0.11000 0.00000 0.00000 0.00000
4 4S 0.01905 2.61553 0.00000 0.00000 0.00000
5 5S 68.16832 24.48438 0.00000 0.00000 0.00000
6 6S 13.06448 1.65312 0.00000 0.00000 0.00000
7 7PX 0.00000 0.00000 0.00555 0.00000 0.00053
8 7PY 0.00000 0.00000 0.00000 -0.00555 0.00000
9 7PZ 0.11309 0.03027 0.00000 0.00000 0.00000
10 8PX 0.00000 0.00000 0.04996 0.00000 -0.15340
11 8PY 0.00000 0.00000 0.00000 -0.04996 0.00000
12 8PZ -0.20756 0.17287 0.00000 0.00000 0.00000
13 9PX 0.00000 0.00000 0.06563 0.00000 -0.94926
14 9PY 0.00000 0.00000 0.00000 -0.06563 0.00000
15 9PZ 15.59425 3.74420 0.00000 0.00000 0.00000
16 10PX 0.00000 0.00000 2.69760 0.00000 1.26787
17 10PY 0.00000 0.00000 0.00000 -2.69760 0.00000
18 10PZ -1.92143 3.16003 0.00000 0.00000 0.00000
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381 13F-2 -0.00706 -0.01054 0.01437 0.02167 0.01731
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383 13F-3 0.00247 0.00000 0.01025 0.01775 0.01708
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422 12D-2 0.39100 -0.08119 0.02492 0.90131 -0.48647
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429 13F-3 0.00247 0.00000 0.01025 -0.01775 0.01708
430 14F 0 -0.11802 0.00000 -0.02379 0.04121 -0.08431
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434 14F-2 -0.03289 -0.12262 0.00077 0.02473 -0.01715
435 14F+3 -0.16927 -0.05034 -0.00855 -0.00494 0.00000
436 14F-3 -0.09049 0.00000 -0.00874 0.01514 -0.02416
131 132 133 134 135
(A2G)--V (EU)--V (EU)--V (A2U)--V (EU)--V
Eigenvalues -- 1.55025 1.55160 1.55160 1.58162 1.60174
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51 17F-1 0.00000 0.00000 0.02109 0.00000 0.00000
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53 17F-2 0.00000 -0.11490 0.00000 0.00000 -0.57743
54 17F+3 1.30835 0.00000 0.00000 0.00000 0.00000
55 17F-3 0.00000 0.00000 0.00000 -0.25016 0.00000
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57 18F+1 0.00000 -0.96633 0.00000 0.00000 2.02388
58 18F-1 0.00000 0.00000 0.96633 0.00000 0.00000
59 18F+2 0.00000 0.00000 -6.38095 0.00000 0.00000
60 18F-2 0.00000 6.38095 0.00000 0.00000 -7.08670
61 18F+3 9.50399 0.00000 0.00000 0.00000 0.00000
62 18F-3 0.00000 0.00000 0.00000 -0.67723 0.00000
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66 19G+2 0.00000 0.00000 -0.01429 0.00000 0.00000
67 19G-2 0.00000 0.01429 0.00000 0.00000 -0.02046
68 19G+3 0.03146 0.00000 0.00000 0.00000 0.00000
69 19G-3 0.00000 0.00000 0.00000 -0.03043 0.00000
70 19G+4 0.00000 0.00000 -0.02125 0.00000 0.00000
71 19G-4 0.00000 -0.02125 0.00000 0.00000 0.00321
72 20G 0 0.00000 0.00000 0.00000 0.05002 0.00000
73 20G+1 0.00000 0.18928 0.00000 0.00000 -0.11636
74 20G-1 0.00000 0.00000 -0.18928 0.00000 0.00000
75 20G+2 0.00000 0.00000 0.10578 0.00000 0.00000
76 20G-2 0.00000 -0.10578 0.00000 0.00000 -0.48273
77 20G+3 1.14535 0.00000 0.00000 0.00000 0.00000
78 20G-3 0.00000 0.00000 0.00000 0.11854 0.00000
79 20G+4 0.00000 0.00000 0.10524 0.00000 0.00000
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296 14F-2 -0.24946 0.38605 0.57373 0.38672 -0.20201
297 14F+3 -0.15251 0.07238 -0.12536 0.00000 0.26014
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301 3S -0.56159 0.00000 11.66016 -8.50858 0.00000
302 4S -6.90122 0.00000 6.32921 -7.72261 0.00000
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333 13F-1 0.00066 0.00000 -0.00137 0.00218 0.00000
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337 13F-3 0.01554 0.00000 0.01083 0.00912 0.00000
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380 13F+2 -0.00764 -0.01013 0.00000 -0.01056 0.00379
381 13F-2 -0.00037 0.01170 0.01013 0.01828 0.00219
382 13F+3 -0.00473 -0.00226 0.00392 0.00000 -0.01201
383 13F-3 -0.00777 -0.00938 -0.00542 0.00912 0.00000
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388 14F-2 -0.24946 -0.38605 -0.57373 -0.38672 -0.20201
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422 12D-2 -0.07798 -0.56102 -0.02289 0.39219 0.52345
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427 13F-2 0.00037 0.01170 -0.01013 -0.01828 0.00219
428 13F+3 0.00473 -0.00226 -0.00392 0.00000 -0.01201
429 13F-3 -0.00777 0.00938 -0.00542 0.00912 0.00000
430 14F 0 -0.14850 0.49448 -0.28549 -0.50002 0.00000
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432 14F-1 0.23108 -0.18326 0.27822 0.15804 0.68135
433 14F+2 -0.22024 -0.57373 -0.27643 0.22327 0.34989
434 14F-2 0.24946 -0.38605 0.57373 0.38672 -0.20201
435 14F+3 0.15251 -0.07238 -0.12536 0.00000 0.26014
436 14F-3 0.46247 0.05272 -0.03044 -0.00322 0.00000
156 157 158 159 160
(EU)--V (EU)--V (A2G)--V (A2U)--V (EU)--V
Eigenvalues -- 2.00488 2.00488 2.01320 2.02230 2.03047
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31 13D-2 -0.29089 0.00000 0.00000 0.00000 0.00000
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36 14D-2 -3.12105 0.00000 0.00000 0.00000 0.00000
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46 16F-2 -0.01301 0.00000 0.00000 0.00000 0.00000
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48 16F-3 0.00000 0.00000 0.00000 -0.04167 0.00000
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50 17F+1 0.16503 0.00000 0.00000 0.00000 0.00000
51 17F-1 0.00000 -0.16503 0.00000 0.00000 -0.00231
52 17F+2 0.00000 0.35649 0.00000 0.00000 0.35431
53 17F-2 -0.35649 0.00000 0.00000 0.00000 0.00000
54 17F+3 0.00000 0.00000 -0.47062 0.00000 0.00000
55 17F-3 0.00000 0.00000 0.00000 -1.35832 0.00000
56 18F 0 0.00000 0.00000 0.00000 -2.39173 0.00000
57 18F+1 2.37147 0.00000 0.00000 0.00000 0.00000
58 18F-1 0.00000 -2.37147 0.00000 0.00000 2.69200
59 18F+2 0.00000 6.71940 0.00000 0.00000 -0.27139
60 18F-2 -6.71940 0.00000 0.00000 0.00000 0.00000
61 18F+3 0.00000 0.00000 0.16286 0.00000 0.00000
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253 5 H 1S 0.00190 -0.00870 -0.00502 0.02725 0.01573
254 2S -0.01515 0.00289 0.00167 0.26766 0.15453
255 3S -2.21277 -8.87144 -5.12193 -11.66742 -6.73619
256 4S 2.18460 -1.13577 -0.65573 -14.48647 -8.36377
257 5S 0.04541 0.03791 0.02189 -0.48445 -0.27970
258 6PX 0.00653 0.01282 0.00575 -0.03455 -0.01817
259 6PY -0.00207 -0.00575 -0.00618 0.01817 0.01357
260 6PZ -0.02998 -0.00200 -0.00115 -0.00895 -0.00517
261 7PX -0.09509 -0.10880 -0.08057 0.36485 0.15006
262 7PY 0.05966 0.08057 0.01576 -0.15006 -0.19157
263 7PZ 0.26848 0.03258 0.01881 0.13533 0.07814
264 8PX 0.73684 0.71113 -0.09332 2.61682 0.52459
265 8PY -1.20721 0.09332 -0.81888 -0.52459 -2.01108
266 8PZ -0.19989 1.53659 0.88715 -1.62112 -0.93595
267 9PX -0.04754 0.15329 1.88288 2.03940 1.23250
268 9PY -1.89035 -1.88288 2.02088 -1.23250 -0.61623
269 9PZ -2.70163 -1.14677 -0.66209 -0.02635 -0.01521
270 10D 0 -0.00570 -0.00933 -0.00539 -0.01252 -0.00723
271 10D+1 0.01667 0.00931 -0.00238 -0.00465 -0.00823
272 10D-1 -0.00259 0.00238 -0.01207 0.00823 -0.00485
273 10D+2 -0.00599 -0.01012 0.00159 -0.01277 0.00657
274 10D-2 -0.00431 0.01010 0.01012 0.00818 0.01277
275 11D 0 -0.00098 0.00319 0.00184 0.27869 0.16090
276 11D+1 -0.25775 -0.17917 0.00091 -0.09550 0.03775
277 11D-1 0.04171 -0.00091 0.18022 -0.03775 0.13910
278 11D+2 0.12628 0.20673 -0.01838 -0.01808 -0.05833
279 11D-2 0.00021 -0.22033 -0.20673 0.07921 0.01808
280 12D 0 -0.53349 1.79791 1.03803 -0.08470 -0.04890
281 12D+1 -1.47923 -0.88920 -1.06934 0.07012 -0.06883
282 12D-1 -0.42558 1.06934 -0.34558 0.06883 -0.14960
283 12D+2 0.47338 0.73677 0.58399 0.13269 -0.17282
284 12D-2 0.78651 -1.43474 -0.73677 0.01960 -0.13269
285 13F 0 -0.00355 0.01636 0.00944 0.01091 0.00630
286 13F+1 -0.01126 0.00991 0.00137 -0.01521 -0.01218
287 13F-1 0.00147 -0.00137 -0.00833 0.01218 0.00114
288 13F+2 -0.00916 0.00383 0.00580 0.01081 0.00800
289 13F-2 0.00798 -0.01023 -0.00383 -0.02047 -0.01081
290 13F+3 -0.00401 -0.00546 0.00946 0.00217 -0.00376
291 13F-3 0.00890 0.00410 0.00236 -0.00220 -0.00127
292 14F 0 -0.26919 -0.85623 -0.49435 -0.73300 -0.42320
293 14F+1 0.36899 0.13969 -0.17352 0.04044 -0.03850
294 14F-1 0.04994 0.17352 -0.34005 0.03850 -0.08490
295 14F+2 0.71557 0.01096 -0.13354 -0.07007 -0.30961
296 14F-2 -0.22206 0.12089 -0.01096 0.39053 0.07007
297 14F+3 -0.29925 -0.18962 0.32844 -0.19950 0.34555
298 14F-3 -0.09638 0.87537 0.50539 0.08943 0.05163
299 6 H 1S 0.00000 0.00000 0.01005 0.00000 0.03147
300 2S 0.00000 0.00000 -0.00334 0.00000 0.30907
301 3S 0.00000 0.00000 10.24386 0.00000 -13.47238
302 4S 0.00000 0.00000 1.31147 0.00000 -16.72754
303 5S 0.00000 0.00000 -0.04378 0.00000 -0.55939
304 6PX 0.00294 -0.00286 0.00000 -0.00308 0.00000
305 6PY 0.00000 0.00000 0.01615 0.00000 0.04503
306 6PZ 0.00000 0.00000 -0.00231 0.00000 0.01033
307 7PX 0.00825 -0.03075 0.00000 0.10493 0.00000
308 7PY 0.00000 0.00000 -0.15531 0.00000 -0.45149
309 7PZ 0.00000 0.00000 0.03762 0.00000 -0.15627
310 8PX -1.35411 -0.87275 0.00000 1.70820 0.00000
311 8PY 0.00000 0.00000 0.65725 0.00000 -2.91970
312 8PZ 0.00000 0.00000 1.77430 0.00000 1.87191
313 9PX -3.32172 3.10796 0.00000 -0.09536 0.00000
314 9PY 0.00000 0.00000 1.24037 0.00000 -2.75099
315 9PZ 0.00000 0.00000 -1.32418 0.00000 0.03043
316 10D 0 0.00000 0.00000 0.01077 0.00000 -0.01445
317 10D+1 -0.01218 0.01344 0.00000 -0.00961 0.00000
318 10D-1 0.00000 0.00000 -0.00794 0.00000 -0.00941
319 10D+2 0.00000 0.00000 -0.01595 0.00000 0.01555
320 10D-2 0.01468 -0.00743 0.00000 0.01394 0.00000
321 11D 0 0.00000 0.00000 -0.00368 0.00000 0.32180
322 11D+1 0.18551 -0.18074 0.00000 0.16089 0.00000
323 11D-1 0.00000 0.00000 0.17865 0.00000 -0.07371
324 11D+2 0.00000 0.00000 0.33969 0.00000 0.08964
325 11D-2 -0.21894 0.13774 0.00000 -0.04789 0.00000
326 12D 0 0.00000 0.00000 -2.07605 0.00000 -0.09780
327 12D+1 2.21635 0.96296 0.00000 -0.18934 0.00000
328 12D-1 0.00000 0.00000 1.50658 0.00000 0.03038
329 12D+2 0.00000 0.00000 1.86012 0.00000 -0.05701
330 12D-2 -1.60643 -0.15862 0.00000 -0.24943 0.00000
331 13F 0 0.00000 0.00000 0.01889 0.00000 -0.01259
332 13F+1 -0.00871 -0.00753 0.00000 0.00590 0.00000
333 13F-1 0.00000 0.00000 0.01070 0.00000 0.02224
334 13F+2 0.00000 0.00000 -0.01244 0.00000 0.02671
335 13F-2 -0.00788 0.00359 0.00000 -0.00176 0.00000
336 13F+3 0.00803 -0.01092 0.00000 -0.00434 0.00000
337 13F-3 0.00000 0.00000 0.00473 0.00000 0.00254
338 14F 0 0.00000 0.00000 -0.98869 0.00000 0.84639
339 14F+1 0.45549 -0.44023 0.00000 0.10713 0.00000
340 14F-1 0.00000 0.00000 0.03951 0.00000 -0.01821
341 14F+2 0.00000 0.00000 0.11456 0.00000 -0.43098
342 14F-2 1.01735 -0.13987 0.00000 0.26915 0.00000
343 14F+3 0.59850 -0.37924 0.00000 0.39901 0.00000
344 14F-3 0.00000 0.00000 1.01079 0.00000 -0.10326
345 7 H 1S -0.00190 -0.00870 -0.00502 -0.02725 -0.01573
346 2S 0.01515 0.00289 0.00167 -0.26766 -0.15453
347 3S 2.21277 -8.87144 -5.12193 11.66742 6.73619
348 4S -2.18460 -1.13577 -0.65573 14.48647 8.36377
349 5S -0.04541 0.03791 0.02189 0.48445 0.27970
350 6PX 0.00653 -0.01282 -0.00575 -0.03455 -0.01817
351 6PY -0.00207 0.00575 0.00618 0.01817 0.01357
352 6PZ -0.02998 0.00200 0.00115 -0.00895 -0.00517
353 7PX -0.09509 0.10880 0.08057 0.36485 0.15006
354 7PY 0.05966 -0.08057 -0.01576 -0.15006 -0.19157
355 7PZ 0.26848 -0.03258 -0.01881 0.13533 0.07814
356 8PX 0.73684 -0.71113 0.09332 2.61682 0.52459
357 8PY -1.20721 -0.09332 0.81888 -0.52459 -2.01108
358 8PZ -0.19989 -1.53659 -0.88715 -1.62112 -0.93595
359 9PX -0.04754 -0.15329 -1.88288 2.03940 1.23250
360 9PY -1.89035 1.88288 -2.02088 -1.23250 -0.61623
361 9PZ -2.70163 1.14677 0.66209 -0.02635 -0.01521
362 10D 0 0.00570 -0.00933 -0.00539 0.01252 0.00723
363 10D+1 -0.01667 0.00931 -0.00238 0.00465 0.00823
364 10D-1 0.00259 0.00238 -0.01207 -0.00823 0.00485
365 10D+2 0.00599 -0.01012 0.00159 0.01277 -0.00657
366 10D-2 0.00431 0.01010 0.01012 -0.00818 -0.01277
367 11D 0 0.00098 0.00319 0.00184 -0.27869 -0.16090
368 11D+1 0.25775 -0.17917 0.00091 0.09550 -0.03775
369 11D-1 -0.04171 -0.00091 0.18022 0.03775 -0.13910
370 11D+2 -0.12628 0.20673 -0.01838 0.01808 0.05833
371 11D-2 -0.00021 -0.22033 -0.20673 -0.07921 -0.01808
372 12D 0 0.53349 1.79791 1.03803 0.08470 0.04890
373 12D+1 1.47923 -0.88920 -1.06934 -0.07012 0.06883
374 12D-1 0.42558 1.06934 -0.34558 -0.06883 0.14960
375 12D+2 -0.47338 0.73677 0.58399 -0.13269 0.17282
376 12D-2 -0.78651 -1.43474 -0.73677 -0.01960 0.13269
377 13F 0 -0.00355 -0.01636 -0.00944 0.01091 0.00630
378 13F+1 -0.01126 -0.00991 -0.00137 -0.01521 -0.01218
379 13F-1 0.00147 0.00137 0.00833 0.01218 0.00114
380 13F+2 -0.00916 -0.00383 -0.00580 0.01081 0.00800
381 13F-2 0.00798 0.01023 0.00383 -0.02047 -0.01081
382 13F+3 -0.00401 0.00546 -0.00946 0.00217 -0.00376
383 13F-3 0.00890 -0.00410 -0.00236 -0.00220 -0.00127
384 14F 0 -0.26919 0.85623 0.49435 -0.73300 -0.42320
385 14F+1 0.36899 -0.13969 0.17352 0.04044 -0.03850
386 14F-1 0.04994 -0.17352 0.34005 0.03850 -0.08490
387 14F+2 0.71557 -0.01096 0.13354 -0.07007 -0.30961
388 14F-2 -0.22206 -0.12089 0.01096 0.39053 0.07007
389 14F+3 -0.29925 0.18962 -0.32844 -0.19950 0.34555
390 14F-3 -0.09638 -0.87537 -0.50539 0.08943 0.05163
391 8 H 1S 0.00190 0.00870 -0.00502 0.02725 -0.01573
392 2S -0.01515 -0.00289 0.00167 0.26766 -0.15453
393 3S -2.21277 8.87144 -5.12193 -11.66742 6.73619
394 4S 2.18460 1.13577 -0.65573 -14.48647 8.36377
395 5S 0.04541 -0.03791 0.02189 -0.48445 0.27970
396 6PX 0.00653 -0.01282 0.00575 -0.03455 0.01817
397 6PY 0.00207 -0.00575 0.00618 -0.01817 0.01357
398 6PZ 0.02998 -0.00200 0.00115 0.00895 -0.00517
399 7PX -0.09509 0.10880 -0.08057 0.36485 -0.15006
400 7PY -0.05966 0.08057 -0.01576 0.15006 -0.19157
401 7PZ -0.26848 0.03258 -0.01881 -0.13533 0.07814
402 8PX 0.73684 -0.71113 -0.09332 2.61682 -0.52459
403 8PY 1.20721 0.09332 0.81888 0.52459 -2.01108
404 8PZ 0.19989 1.53659 -0.88715 1.62112 -0.93595
405 9PX -0.04754 -0.15329 1.88288 2.03940 -1.23250
406 9PY 1.89035 -1.88288 -2.02088 1.23250 -0.61623
407 9PZ 2.70163 -1.14677 0.66209 0.02635 -0.01521
408 10D 0 -0.00570 0.00933 -0.00539 -0.01252 0.00723
409 10D+1 -0.01667 0.00931 0.00238 0.00465 -0.00823
410 10D-1 -0.00259 -0.00238 -0.01207 0.00823 0.00485
411 10D+2 -0.00599 0.01012 0.00159 -0.01277 -0.00657
412 10D-2 0.00431 0.01010 -0.01012 -0.00818 0.01277
413 11D 0 -0.00098 -0.00319 0.00184 0.27869 -0.16090
414 11D+1 0.25775 -0.17917 -0.00091 0.09550 0.03775
415 11D-1 0.04171 0.00091 0.18022 -0.03775 -0.13910
416 11D+2 0.12628 -0.20673 -0.01838 -0.01808 0.05833
417 11D-2 -0.00021 -0.22033 0.20673 -0.07921 0.01808
418 12D 0 -0.53349 -1.79791 1.03803 -0.08470 0.04890
419 12D+1 1.47923 -0.88920 1.06934 -0.07012 -0.06883
420 12D-1 -0.42558 -1.06934 -0.34558 0.06883 0.14960
421 12D+2 0.47338 -0.73677 0.58399 0.13269 0.17282
422 12D-2 -0.78651 -1.43474 0.73677 -0.01960 -0.13269
423 13F 0 0.00355 0.01636 -0.00944 -0.01091 0.00630
424 13F+1 -0.01126 -0.00991 0.00137 -0.01521 0.01218
425 13F-1 -0.00147 -0.00137 0.00833 -0.01218 0.00114
426 13F+2 0.00916 0.00383 -0.00580 -0.01081 0.00800
427 13F-2 0.00798 0.01023 -0.00383 -0.02047 0.01081
428 13F+3 -0.00401 0.00546 0.00946 0.00217 0.00376
429 13F-3 -0.00890 0.00410 -0.00236 0.00220 -0.00127
430 14F 0 0.26919 -0.85623 0.49435 0.73300 -0.42320
431 14F+1 0.36899 -0.13969 -0.17352 0.04044 0.03850
432 14F-1 -0.04994 0.17352 0.34005 -0.03850 -0.08490
433 14F+2 -0.71557 0.01096 0.13354 0.07007 -0.30961
434 14F-2 -0.22206 -0.12089 -0.01096 0.39053 -0.07007
435 14F+3 -0.29925 0.18962 0.32844 -0.19950 -0.34555
436 14F-3 0.09638 0.87537 -0.50539 -0.08943 0.05163
166 167 168 169 170
(A1U)--V (EG)--V (EG)--V (A2U)--V (EG)--V
Eigenvalues -- 2.07073 2.07656 2.07656 2.09811 2.14032
1 1 C 1S 0.00000 0.00000 0.00000 -0.02057 0.00000
2 2S 0.00000 0.00000 0.00000 0.04890 0.00000
3 3S 0.00000 0.00000 0.00000 0.27911 0.00000
4 4S 0.00000 0.00000 0.00000 -8.90160 0.00000
5 5S 0.00000 0.00000 0.00000 24.00450 0.00000
6 6S 0.00000 0.00000 0.00000 8.47701 0.00000
7 7PX 0.00000 0.00000 0.04254 0.00000 -0.02287
8 7PY 0.00000 -0.04254 0.00000 0.00000 0.00000
9 7PZ 0.00000 0.00000 0.00000 -0.05240 0.00000
10 8PX 0.00000 0.00000 -0.00994 0.00000 -0.24448
11 8PY 0.00000 0.00994 0.00000 0.00000 0.00000
12 8PZ 0.00000 0.00000 0.00000 -0.62931 0.00000
13 9PX 0.00000 0.00000 -2.73708 0.00000 7.94299
14 9PY 0.00000 2.73708 0.00000 0.00000 0.00000
15 9PZ 0.00000 0.00000 0.00000 13.66533 0.00000
16 10PX 0.00000 0.00000 10.58083 0.00000 5.05057
17 10PY 0.00000 -10.58083 0.00000 0.00000 0.00000
18 10PZ 0.00000 0.00000 0.00000 -5.10381 0.00000
19 11PX 0.00000 0.00000 0.31295 0.00000 0.89056
20 11PY 0.00000 -0.31295 0.00000 0.00000 0.00000
21 11PZ 0.00000 0.00000 0.00000 -0.24405 0.00000
22 12D 0 0.00000 0.00000 0.00000 0.00517 0.00000
23 12D+1 0.00000 0.00000 -0.00593 0.00000 0.01476
24 12D-1 0.00000 0.00593 0.00000 0.00000 0.00000
25 12D+2 0.00000 -0.03678 0.00000 0.00000 0.00000
26 12D-2 0.00000 0.00000 0.03678 0.00000 0.00977
27 13D 0 0.00000 0.00000 0.00000 0.11352 0.00000
28 13D+1 0.00000 0.00000 0.42323 0.00000 0.12560
29 13D-1 0.00000 -0.42323 0.00000 0.00000 0.00000
30 13D+2 0.00000 0.45294 0.00000 0.00000 0.00000
31 13D-2 0.00000 0.00000 -0.45294 0.00000 -0.08549
32 14D 0 0.00000 0.00000 0.00000 -5.47578 0.00000
33 14D+1 0.00000 0.00000 -5.98051 0.00000 0.09249
34 14D-1 0.00000 5.98051 0.00000 0.00000 0.00000
35 14D+2 0.00000 -2.32108 0.00000 0.00000 0.00000
36 14D-2 0.00000 0.00000 2.32108 0.00000 0.07507
37 15D 0 0.00000 0.00000 0.00000 0.61000 0.00000
38 15D+1 0.00000 0.00000 0.42737 0.00000 -2.63444
39 15D-1 0.00000 -0.42737 0.00000 0.00000 0.00000
40 15D+2 0.00000 1.34034 0.00000 0.00000 0.00000
41 15D-2 0.00000 0.00000 -1.34034 0.00000 1.73829
42 16F 0 0.00000 0.00000 0.00000 -0.00096 0.00000
43 16F+1 0.00000 0.00000 -0.03987 0.00000 0.00130
44 16F-1 0.00000 0.03987 0.00000 0.00000 0.00000
45 16F+2 0.00000 0.00599 0.00000 0.00000 0.00000
46 16F-2 0.00000 0.00000 -0.00599 0.00000 0.02961
47 16F+3 -0.01215 0.00000 0.00000 0.00000 0.00000
48 16F-3 0.00000 0.00000 0.00000 -0.02972 0.00000
49 17F 0 0.00000 0.00000 0.00000 -0.04901 0.00000
50 17F+1 0.00000 0.00000 1.41833 0.00000 0.04457
51 17F-1 0.00000 -1.41833 0.00000 0.00000 0.00000
52 17F+2 0.00000 0.93904 0.00000 0.00000 0.00000
53 17F-2 0.00000 0.00000 -0.93904 0.00000 -0.66899
54 17F+3 -0.66411 0.00000 0.00000 0.00000 0.00000
55 17F-3 0.00000 0.00000 0.00000 0.56996 0.00000
56 18F 0 0.00000 0.00000 0.00000 0.14895 0.00000
57 18F+1 0.00000 0.00000 -0.16535 0.00000 -1.68917
58 18F-1 0.00000 0.16535 0.00000 0.00000 0.00000
59 18F+2 0.00000 -2.42498 0.00000 0.00000 0.00000
60 18F-2 0.00000 0.00000 2.42498 0.00000 -2.40857
61 18F+3 0.59679 0.00000 0.00000 0.00000 0.00000
62 18F-3 0.00000 0.00000 0.00000 0.34259 0.00000
63 19G 0 0.00000 0.00000 0.00000 -0.04373 0.00000
64 19G+1 0.00000 0.00000 -0.02072 0.00000 -0.00203
65 19G-1 0.00000 0.02072 0.00000 0.00000 0.00000
66 19G+2 0.00000 0.07135 0.00000 0.00000 0.00000
67 19G-2 0.00000 0.00000 -0.07135 0.00000 0.02010
68 19G+3 -0.04130 0.00000 0.00000 0.00000 0.00000
69 19G-3 0.00000 0.00000 0.00000 -0.04832 0.00000
70 19G+4 0.00000 0.04503 0.00000 0.00000 0.00000
71 19G-4 0.00000 0.00000 0.04503 0.00000 -0.00352
72 20G 0 0.00000 0.00000 0.00000 -0.37473 0.00000
73 20G+1 0.00000 0.00000 -0.63267 0.00000 -0.54122
74 20G-1 0.00000 0.63267 0.00000 0.00000 0.00000
75 20G+2 0.00000 0.13428 0.00000 0.00000 0.00000
76 20G-2 0.00000 0.00000 -0.13428 0.00000 -0.55444
77 20G+3 -0.16637 0.00000 0.00000 0.00000 0.00000
78 20G-3 0.00000 0.00000 0.00000 0.17486 0.00000
79 20G+4 0.00000 0.08644 0.00000 0.00000 0.00000
80 20G-4 0.00000 0.00000 0.08644 0.00000 -0.35039
81 2 C 1S 0.00000 0.00000 0.00000 0.02057 0.00000
82 2S 0.00000 0.00000 0.00000 -0.04890 0.00000
83 3S 0.00000 0.00000 0.00000 -0.27911 0.00000
84 4S 0.00000 0.00000 0.00000 8.90160 0.00000
85 5S 0.00000 0.00000 0.00000 -24.00450 0.00000
86 6S 0.00000 0.00000 0.00000 -8.47701 0.00000
87 7PX 0.00000 0.00000 -0.04254 0.00000 0.02287
88 7PY 0.00000 0.04254 0.00000 0.00000 0.00000
89 7PZ 0.00000 0.00000 0.00000 -0.05240 0.00000
90 8PX 0.00000 0.00000 0.00994 0.00000 0.24448
91 8PY 0.00000 -0.00994 0.00000 0.00000 0.00000
92 8PZ 0.00000 0.00000 0.00000 -0.62931 0.00000
93 9PX 0.00000 0.00000 2.73708 0.00000 -7.94299
94 9PY 0.00000 -2.73708 0.00000 0.00000 0.00000
95 9PZ 0.00000 0.00000 0.00000 13.66533 0.00000
96 10PX 0.00000 0.00000 -10.58083 0.00000 -5.05057
97 10PY 0.00000 10.58083 0.00000 0.00000 0.00000
98 10PZ 0.00000 0.00000 0.00000 -5.10381 0.00000
99 11PX 0.00000 0.00000 -0.31295 0.00000 -0.89056
100 11PY 0.00000 0.31295 0.00000 0.00000 0.00000
101 11PZ 0.00000 0.00000 0.00000 -0.24405 0.00000
102 12D 0 0.00000 0.00000 0.00000 -0.00517 0.00000
103 12D+1 0.00000 0.00000 -0.00593 0.00000 0.01476
104 12D-1 0.00000 0.00593 0.00000 0.00000 0.00000
105 12D+2 0.00000 -0.03678 0.00000 0.00000 0.00000
106 12D-2 0.00000 0.00000 0.03678 0.00000 0.00977
107 13D 0 0.00000 0.00000 0.00000 -0.11352 0.00000
108 13D+1 0.00000 0.00000 0.42323 0.00000 0.12560
109 13D-1 0.00000 -0.42323 0.00000 0.00000 0.00000
110 13D+2 0.00000 0.45294 0.00000 0.00000 0.00000
111 13D-2 0.00000 0.00000 -0.45294 0.00000 -0.08549
112 14D 0 0.00000 0.00000 0.00000 5.47578 0.00000
113 14D+1 0.00000 0.00000 -5.98051 0.00000 0.09249
114 14D-1 0.00000 5.98051 0.00000 0.00000 0.00000
115 14D+2 0.00000 -2.32108 0.00000 0.00000 0.00000
116 14D-2 0.00000 0.00000 2.32108 0.00000 0.07507
117 15D 0 0.00000 0.00000 0.00000 -0.61000 0.00000
118 15D+1 0.00000 0.00000 0.42737 0.00000 -2.63444
119 15D-1 0.00000 -0.42737 0.00000 0.00000 0.00000
120 15D+2 0.00000 1.34034 0.00000 0.00000 0.00000
121 15D-2 0.00000 0.00000 -1.34034 0.00000 1.73829
122 16F 0 0.00000 0.00000 0.00000 -0.00096 0.00000
123 16F+1 0.00000 0.00000 0.03987 0.00000 -0.00130
124 16F-1 0.00000 -0.03987 0.00000 0.00000 0.00000
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430 14F 0 0.00000 0.01581 -0.02738 -0.08372 -0.35513
431 14F+1 0.03799 -0.36530 0.71262 0.64009 0.10136
432 14F-1 -0.06580 -0.29080 0.36530 0.36955 -0.27303
433 14F+2 -0.00717 0.25553 -0.20279 -0.27515 -0.34168
434 14F-2 0.00414 0.20279 -0.48969 -0.47657 0.48987
435 14F+3 0.85346 -0.76064 -0.43916 0.00000 -0.14446
436 14F-3 0.00000 -0.14003 0.24253 0.43134 0.13724
171 172 173 174 175
(EG)--V (A2G)--V (EG)--V (EG)--V (A1G)--V
Eigenvalues -- 2.14032 2.15748 2.18367 2.18367 2.21003
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2 2S 0.00000 0.00000 0.00000 0.00000 -0.05741
3 3S 0.00000 0.00000 0.00000 0.00000 -1.12135
4 4S 0.00000 0.00000 0.00000 0.00000 -1.93197
5 5S 0.00000 0.00000 0.00000 0.00000 21.24566
6 6S 0.00000 0.00000 0.00000 0.00000 2.32028
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9 7PZ 0.00000 0.00000 0.00000 0.00000 0.02465
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11 8PY 0.24448 0.00000 -0.36915 0.00000 0.00000
12 8PZ 0.00000 0.00000 0.00000 0.00000 -0.21595
13 9PX 0.00000 0.00000 0.00000 8.10717 0.00000
14 9PY -7.94299 0.00000 8.10717 0.00000 0.00000
15 9PZ 0.00000 0.00000 0.00000 0.00000 0.55753
16 10PX 0.00000 0.00000 0.00000 18.59331 0.00000
17 10PY -5.05057 0.00000 18.59331 0.00000 0.00000
18 10PZ 0.00000 0.00000 0.00000 0.00000 3.99932
19 11PX 0.00000 0.00000 0.00000 1.09023 0.00000
20 11PY -0.89056 0.00000 1.09023 0.00000 0.00000
21 11PZ 0.00000 0.00000 0.00000 0.00000 0.57663
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24 12D-1 -0.01476 0.00000 0.00820 0.00000 0.00000
25 12D+2 -0.00977 0.00000 0.06854 0.00000 0.00000
26 12D-2 0.00000 0.00000 0.00000 0.06854 0.00000
27 13D 0 0.00000 0.00000 0.00000 0.00000 0.04340
28 13D+1 0.00000 0.00000 0.00000 0.17651 0.00000
29 13D-1 -0.12560 0.00000 0.17651 0.00000 0.00000
30 13D+2 0.08549 0.00000 -0.72944 0.00000 0.00000
31 13D-2 0.00000 0.00000 0.00000 -0.72944 0.00000
32 14D 0 0.00000 0.00000 0.00000 0.00000 -4.37761
33 14D+1 0.00000 0.00000 0.00000 -0.86920 0.00000
34 14D-1 -0.09249 0.00000 -0.86920 0.00000 0.00000
35 14D+2 -0.07507 0.00000 -1.48605 0.00000 0.00000
36 14D-2 0.00000 0.00000 0.00000 -1.48605 0.00000
37 15D 0 0.00000 0.00000 0.00000 0.00000 -3.44077
38 15D+1 0.00000 0.00000 0.00000 -1.31201 0.00000
39 15D-1 2.63444 0.00000 -1.31201 0.00000 0.00000
40 15D+2 -1.73829 0.00000 -4.27521 0.00000 0.00000
41 15D-2 0.00000 0.00000 0.00000 -4.27521 0.00000
42 16F 0 0.00000 0.00000 0.00000 0.00000 0.00006
43 16F+1 0.00000 0.00000 0.00000 -0.03229 0.00000
44 16F-1 -0.00130 0.00000 -0.03229 0.00000 0.00000
45 16F+2 -0.02961 0.00000 -0.02130 0.00000 0.00000
46 16F-2 0.00000 0.00000 0.00000 -0.02130 0.00000
47 16F+3 0.00000 0.00194 0.00000 0.00000 0.00000
48 16F-3 0.00000 0.00000 0.00000 0.00000 -0.03960
49 17F 0 0.00000 0.00000 0.00000 0.00000 -0.53492
50 17F+1 0.00000 0.00000 0.00000 0.08844 0.00000
51 17F-1 -0.04457 0.00000 0.08844 0.00000 0.00000
52 17F+2 0.66899 0.00000 -0.35141 0.00000 0.00000
53 17F-2 0.00000 0.00000 0.00000 -0.35141 0.00000
54 17F+3 0.00000 -1.52884 0.00000 0.00000 0.00000
55 17F-3 0.00000 0.00000 0.00000 0.00000 -0.13350
56 18F 0 0.00000 0.00000 0.00000 0.00000 -2.32213
57 18F+1 0.00000 0.00000 0.00000 1.34955 0.00000
58 18F-1 1.68917 0.00000 1.34955 0.00000 0.00000
59 18F+2 2.40857 0.00000 3.01124 0.00000 0.00000
60 18F-2 0.00000 0.00000 0.00000 3.01124 0.00000
61 18F+3 0.00000 3.84729 0.00000 0.00000 0.00000
62 18F-3 0.00000 0.00000 0.00000 0.00000 2.21928
63 19G 0 0.00000 0.00000 0.00000 0.00000 -0.01697
64 19G+1 0.00000 0.00000 0.00000 -0.02944 0.00000
65 19G-1 0.00203 0.00000 -0.02944 0.00000 0.00000
66 19G+2 -0.02010 0.00000 0.00567 0.00000 0.00000
67 19G-2 0.00000 0.00000 0.00000 0.00567 0.00000
68 19G+3 0.00000 -0.09322 0.00000 0.00000 0.00000
69 19G-3 0.00000 0.00000 0.00000 0.00000 -0.06040
70 19G+4 -0.00352 0.00000 0.04137 0.00000 0.00000
71 19G-4 0.00000 0.00000 0.00000 -0.04137 0.00000
72 20G 0 0.00000 0.00000 0.00000 0.00000 -0.08305
73 20G+1 0.00000 0.00000 0.00000 -0.47430 0.00000
74 20G-1 0.54122 0.00000 -0.47430 0.00000 0.00000
75 20G+2 0.55444 0.00000 0.12171 0.00000 0.00000
76 20G-2 0.00000 0.00000 0.00000 0.12171 0.00000
77 20G+3 0.00000 -0.50545 0.00000 0.00000 0.00000
78 20G-3 0.00000 0.00000 0.00000 0.00000 -0.02459
79 20G+4 -0.35039 0.00000 0.08068 0.00000 0.00000
80 20G-4 0.00000 0.00000 0.00000 -0.08068 0.00000
81 2 C 1S 0.00000 0.00000 0.00000 0.00000 0.00837
82 2S 0.00000 0.00000 0.00000 0.00000 -0.05741
83 3S 0.00000 0.00000 0.00000 0.00000 -1.12135
84 4S 0.00000 0.00000 0.00000 0.00000 -1.93197
85 5S 0.00000 0.00000 0.00000 0.00000 21.24566
86 6S 0.00000 0.00000 0.00000 0.00000 2.32028
87 7PX 0.00000 0.00000 0.00000 0.06560 0.00000
88 7PY -0.02287 0.00000 0.06560 0.00000 0.00000
89 7PZ 0.00000 0.00000 0.00000 0.00000 -0.02465
90 8PX 0.00000 0.00000 0.00000 0.36915 0.00000
91 8PY -0.24448 0.00000 0.36915 0.00000 0.00000
92 8PZ 0.00000 0.00000 0.00000 0.00000 0.21595
93 9PX 0.00000 0.00000 0.00000 -8.10717 0.00000
94 9PY 7.94299 0.00000 -8.10717 0.00000 0.00000
95 9PZ 0.00000 0.00000 0.00000 0.00000 -0.55753
96 10PX 0.00000 0.00000 0.00000 -18.59331 0.00000
97 10PY 5.05057 0.00000 -18.59331 0.00000 0.00000
98 10PZ 0.00000 0.00000 0.00000 0.00000 -3.99932
99 11PX 0.00000 0.00000 0.00000 -1.09023 0.00000
100 11PY 0.89056 0.00000 -1.09023 0.00000 0.00000
101 11PZ 0.00000 0.00000 0.00000 0.00000 -0.57663
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103 12D+1 0.00000 0.00000 0.00000 0.00820 0.00000
104 12D-1 -0.01476 0.00000 0.00820 0.00000 0.00000
105 12D+2 -0.00977 0.00000 0.06854 0.00000 0.00000
106 12D-2 0.00000 0.00000 0.00000 0.06854 0.00000
107 13D 0 0.00000 0.00000 0.00000 0.00000 0.04340
108 13D+1 0.00000 0.00000 0.00000 0.17651 0.00000
109 13D-1 -0.12560 0.00000 0.17651 0.00000 0.00000
110 13D+2 0.08549 0.00000 -0.72944 0.00000 0.00000
111 13D-2 0.00000 0.00000 0.00000 -0.72944 0.00000
112 14D 0 0.00000 0.00000 0.00000 0.00000 -4.37761
113 14D+1 0.00000 0.00000 0.00000 -0.86920 0.00000
114 14D-1 -0.09249 0.00000 -0.86920 0.00000 0.00000
115 14D+2 -0.07507 0.00000 -1.48605 0.00000 0.00000
116 14D-2 0.00000 0.00000 0.00000 -1.48605 0.00000
117 15D 0 0.00000 0.00000 0.00000 0.00000 -3.44077
118 15D+1 0.00000 0.00000 0.00000 -1.31201 0.00000
119 15D-1 2.63444 0.00000 -1.31201 0.00000 0.00000
120 15D+2 -1.73829 0.00000 -4.27521 0.00000 0.00000
121 15D-2 0.00000 0.00000 0.00000 -4.27521 0.00000
122 16F 0 0.00000 0.00000 0.00000 0.00000 -0.00006
123 16F+1 0.00000 0.00000 0.00000 0.03229 0.00000
124 16F-1 0.00130 0.00000 0.03229 0.00000 0.00000
125 16F+2 0.02961 0.00000 0.02130 0.00000 0.00000
126 16F-2 0.00000 0.00000 0.00000 0.02130 0.00000
127 16F+3 0.00000 -0.00194 0.00000 0.00000 0.00000
128 16F-3 0.00000 0.00000 0.00000 0.00000 0.03960
129 17F 0 0.00000 0.00000 0.00000 0.00000 0.53492
130 17F+1 0.00000 0.00000 0.00000 -0.08844 0.00000
131 17F-1 0.04457 0.00000 -0.08844 0.00000 0.00000
132 17F+2 -0.66899 0.00000 0.35141 0.00000 0.00000
133 17F-2 0.00000 0.00000 0.00000 0.35141 0.00000
134 17F+3 0.00000 1.52884 0.00000 0.00000 0.00000
135 17F-3 0.00000 0.00000 0.00000 0.00000 0.13350
136 18F 0 0.00000 0.00000 0.00000 0.00000 2.32213
137 18F+1 0.00000 0.00000 0.00000 -1.34955 0.00000
138 18F-1 -1.68917 0.00000 -1.34955 0.00000 0.00000
139 18F+2 -2.40857 0.00000 -3.01124 0.00000 0.00000
140 18F-2 0.00000 0.00000 0.00000 -3.01124 0.00000
141 18F+3 0.00000 -3.84729 0.00000 0.00000 0.00000
142 18F-3 0.00000 0.00000 0.00000 0.00000 -2.21928
143 19G 0 0.00000 0.00000 0.00000 0.00000 -0.01697
144 19G+1 0.00000 0.00000 0.00000 -0.02944 0.00000
145 19G-1 0.00203 0.00000 -0.02944 0.00000 0.00000
146 19G+2 -0.02010 0.00000 0.00567 0.00000 0.00000
147 19G-2 0.00000 0.00000 0.00000 0.00567 0.00000
148 19G+3 0.00000 -0.09322 0.00000 0.00000 0.00000
149 19G-3 0.00000 0.00000 0.00000 0.00000 -0.06040
150 19G+4 -0.00352 0.00000 0.04137 0.00000 0.00000
151 19G-4 0.00000 0.00000 0.00000 -0.04137 0.00000
152 20G 0 0.00000 0.00000 0.00000 0.00000 -0.08305
153 20G+1 0.00000 0.00000 0.00000 -0.47430 0.00000
154 20G-1 0.54122 0.00000 -0.47430 0.00000 0.00000
155 20G+2 0.55444 0.00000 0.12171 0.00000 0.00000
156 20G-2 0.00000 0.00000 0.00000 0.12171 0.00000
157 20G+3 0.00000 -0.50545 0.00000 0.00000 0.00000
158 20G-3 0.00000 0.00000 0.00000 0.00000 -0.02459
159 20G+4 -0.35039 0.00000 0.08068 0.00000 0.00000
160 20G-4 0.00000 0.00000 0.00000 -0.08068 0.00000
161 3 H 1S -0.01987 0.00000 0.04209 0.00000 0.02905
162 2S 0.56672 0.00000 0.23062 0.00000 -0.00038
163 3S 8.01037 0.00000 -8.44287 0.00000 -4.62563
164 4S -1.27701 0.00000 -18.16970 0.00000 -4.59169
165 5S 0.65790 0.00000 -0.88927 0.00000 -0.15066
166 6PX 0.00000 0.03484 0.00000 0.00163 0.00000
167 6PY 0.01684 0.00000 -0.05745 0.00000 -0.02541
168 6PZ -0.00089 0.00000 -0.02718 0.00000 -0.01516
169 7PX 0.00000 -0.26475 0.00000 0.00373 0.00000
170 7PY -0.31768 0.00000 0.62681 0.00000 0.32700
171 7PZ -0.02369 0.00000 0.23106 0.00000 0.16851
172 8PX 0.00000 -0.87805 0.00000 -1.18874 0.00000
173 8PY -2.66795 0.00000 2.38317 0.00000 0.39536
174 8PZ -0.72458 0.00000 2.68318 0.00000 0.03141
175 9PX 0.00000 -1.76740 0.00000 2.52559 0.00000
176 9PY -1.13638 0.00000 1.10834 0.00000 -0.67622
177 9PZ -0.83736 0.00000 2.52396 0.00000 1.05827
178 10D 0 0.00270 0.00000 0.01674 0.00000 -0.00243
179 10D+1 0.00000 -0.00006 0.00000 0.00432 0.00000
180 10D-1 -0.00876 0.00000 0.00884 0.00000 -0.00128
181 10D+2 0.00368 0.00000 0.01658 0.00000 0.02168
182 10D-2 0.00000 -0.02388 0.00000 -0.00994 0.00000
183 11D 0 -0.12892 0.00000 -0.00364 0.00000 0.11389
184 11D+1 0.00000 0.12732 0.00000 -0.02868 0.00000
185 11D-1 0.08275 0.00000 -0.38083 0.00000 -0.06474
186 11D+2 -0.17547 0.00000 0.15923 0.00000 -0.05122
187 11D-2 0.00000 0.58705 0.00000 0.10860 0.00000
188 12D 0 -1.03306 0.00000 -0.53708 0.00000 0.74612
189 12D+1 0.00000 0.18458 0.00000 -2.12280 0.00000
190 12D-1 0.92637 0.00000 -0.04778 0.00000 -0.52592
191 12D+2 0.05166 0.00000 -0.47661 0.00000 -1.99174
192 12D-2 0.00000 2.35397 0.00000 -0.40210 0.00000
193 13F 0 -0.01111 0.00000 -0.01924 0.00000 0.00952
194 13F+1 0.00000 -0.00437 0.00000 -0.01599 0.00000
195 13F-1 0.00711 0.00000 -0.00726 0.00000 -0.01060
196 13F+2 -0.00439 0.00000 -0.00727 0.00000 -0.00011
197 13F-2 0.00000 -0.01037 0.00000 -0.00102 0.00000
198 13F+3 0.00000 0.02116 0.00000 0.00605 0.00000
199 13F-3 0.00700 0.00000 -0.01850 0.00000 -0.01849
200 14F 0 0.41006 0.00000 0.15214 0.00000 -0.36163
201 14F+1 0.00000 0.30464 0.00000 0.48710 0.00000
202 14F-1 -0.05627 0.00000 0.33914 0.00000 -0.04537
203 14F+2 0.29260 0.00000 -0.41474 0.00000 0.02652
204 14F-2 0.00000 -0.58225 0.00000 0.24784 0.00000
205 14F+3 0.00000 0.82995 0.00000 -0.36087 0.00000
206 14F-3 -0.15848 0.00000 0.41786 0.00000 0.70412
207 4 H 1S 0.00993 0.00000 -0.02105 -0.03645 0.02905
208 2S -0.28336 0.00000 -0.11531 -0.19972 -0.00038
209 3S -4.00519 0.00000 4.22143 7.31174 -4.62563
210 4S 0.63850 0.00000 9.08485 15.73542 -4.59169
211 5S -0.32895 0.00000 0.44463 0.77013 -0.15066
212 6PX 0.00498 -0.01742 -0.02558 -0.04268 0.02200
213 6PY 0.00821 0.03017 -0.01314 -0.02558 0.01270
214 6PZ 0.00045 0.00000 0.01359 0.02354 -0.01516
215 7PX -0.11404 0.13238 0.26980 0.47104 -0.28319
216 7PY -0.12016 -0.22928 0.15950 0.26980 -0.16350
217 7PZ 0.01185 0.00000 -0.11553 -0.20010 0.16851
218 8PX -1.67524 0.43902 1.54668 1.49019 -0.34239
219 8PY 0.23364 -0.76041 -0.29577 1.54668 -0.19768
220 8PZ 0.36229 0.00000 -1.34159 -2.32370 0.03141
221 9PX -1.10743 0.88370 -0.61369 1.46265 0.58563
222 9PY 0.78174 -1.53062 2.17128 -0.61369 0.33811
223 9PZ 0.41868 0.00000 -1.26198 -2.18581 1.05827
224 10D 0 -0.00135 0.00000 -0.00837 -0.01450 -0.00243
225 10D+1 -0.01569 0.00003 0.00196 0.00771 0.00111
226 10D-1 0.01842 -0.00005 0.00545 0.00196 0.00064
227 10D+2 0.00499 -0.02068 -0.00331 0.01148 -0.01084
228 10D-2 -0.00076 0.01194 0.01148 0.00995 -0.01878
229 11D 0 0.06446 0.00000 0.00182 0.00315 0.11389
230 11D+1 0.17828 -0.06366 -0.15248 -0.29279 0.05606
231 11D-1 -0.22605 0.11026 -0.11672 -0.15248 0.03237
232 11D+2 -0.05987 0.50840 0.12126 0.02192 0.02561
233 11D-2 -0.06675 -0.29353 0.02192 0.14657 0.04436
234 12D 0 0.51653 0.00000 0.26854 0.46513 0.74612
235 12D+1 1.54689 -0.09229 0.89851 -0.56654 0.45546
236 12D-1 -1.75292 0.15985 -1.60405 0.89851 0.26296
237 12D+2 -0.03303 2.03860 -0.42073 -0.03226 0.99587
238 12D-2 0.04890 -1.17699 -0.03226 -0.45798 1.72490
239 13F 0 0.00555 0.00000 0.00962 0.01667 0.00952
240 13F+1 0.00547 0.00218 0.00378 -0.00944 0.00918
241 13F-1 -0.00237 -0.00378 -0.01381 0.00378 0.00530
242 13F+2 -0.00596 -0.00898 -0.00258 -0.00270 0.00005
243 13F-2 0.00091 0.00518 -0.00270 -0.00571 0.00009
244 13F+3 0.00236 0.02116 0.00524 -0.00302 0.00000
245 13F-3 -0.00350 0.00000 0.00925 0.01602 -0.01849
246 14F 0 -0.20503 0.00000 -0.07607 -0.13176 -0.36163
247 14F+1 -0.27303 -0.15232 -0.06407 0.37613 0.03929
248 14F-1 0.41663 0.26383 0.45011 -0.06407 0.02268
249 14F+2 0.88441 -0.50425 0.08219 -0.28690 -0.01326
250 14F-2 -0.34168 0.29113 -0.28690 -0.24909 -0.02297
251 14F+3 0.25021 0.82995 -0.31252 0.18043 0.00000
252 14F-3 0.07924 0.00000 -0.20893 -0.36188 0.70412
253 5 H 1S 0.00993 0.00000 -0.02105 0.03645 0.02905
254 2S -0.28336 0.00000 -0.11531 0.19972 -0.00038
255 3S -4.00519 0.00000 4.22143 -7.31174 -4.62563
256 4S 0.63850 0.00000 9.08485 -15.73542 -4.59169
257 5S -0.32895 0.00000 0.44463 -0.77013 -0.15066
258 6PX -0.00498 -0.01742 0.02558 -0.04268 -0.02200
259 6PY 0.00821 -0.03017 -0.01314 0.02558 0.01270
260 6PZ 0.00045 0.00000 0.01359 -0.02354 -0.01516
261 7PX 0.11404 0.13238 -0.26980 0.47104 0.28319
262 7PY -0.12016 0.22928 0.15950 -0.26980 -0.16350
263 7PZ 0.01185 0.00000 -0.11553 0.20010 0.16851
264 8PX 1.67524 0.43902 -1.54668 1.49019 0.34239
265 8PY 0.23364 0.76041 -0.29577 -1.54668 -0.19768
266 8PZ 0.36229 0.00000 -1.34159 2.32370 0.03141
267 9PX 1.10743 0.88370 0.61369 1.46265 -0.58563
268 9PY 0.78174 1.53062 2.17128 0.61369 0.33811
269 9PZ 0.41868 0.00000 -1.26198 2.18581 1.05827
270 10D 0 -0.00135 0.00000 -0.00837 0.01450 -0.00243
271 10D+1 0.01569 0.00003 -0.00196 0.00771 -0.00111
272 10D-1 0.01842 0.00005 0.00545 -0.00196 0.00064
273 10D+2 0.00499 0.02068 -0.00331 -0.01148 -0.01084
274 10D-2 0.00076 0.01194 -0.01148 0.00995 0.01878
275 11D 0 0.06446 0.00000 0.00182 -0.00315 0.11389
276 11D+1 -0.17828 -0.06366 0.15248 -0.29279 -0.05606
277 11D-1 -0.22605 -0.11026 -0.11672 0.15248 0.03237
278 11D+2 -0.05987 -0.50840 0.12126 -0.02192 0.02561
279 11D-2 0.06675 -0.29353 -0.02192 0.14657 -0.04436
280 12D 0 0.51653 0.00000 0.26854 -0.46513 0.74612
281 12D+1 -1.54689 -0.09229 -0.89851 -0.56654 -0.45546
282 12D-1 -1.75292 -0.15985 -1.60405 -0.89851 0.26296
283 12D+2 -0.03303 -2.03860 -0.42073 0.03226 0.99587
284 12D-2 -0.04890 -1.17699 0.03226 -0.45798 -1.72490
285 13F 0 0.00555 0.00000 0.00962 -0.01667 0.00952
286 13F+1 -0.00547 0.00218 -0.00378 -0.00944 -0.00918
287 13F-1 -0.00237 0.00378 -0.01381 -0.00378 0.00530
288 13F+2 -0.00596 0.00898 -0.00258 0.00270 0.00005
289 13F-2 -0.00091 0.00518 0.00270 -0.00571 -0.00009
290 13F+3 -0.00236 0.02116 -0.00524 -0.00302 0.00000
291 13F-3 -0.00350 0.00000 0.00925 -0.01602 -0.01849
292 14F 0 -0.20503 0.00000 -0.07607 0.13176 -0.36163
293 14F+1 0.27303 -0.15232 0.06407 0.37613 -0.03929
294 14F-1 0.41663 -0.26383 0.45011 0.06407 0.02268
295 14F+2 0.88441 0.50425 0.08219 0.28690 -0.01326
296 14F-2 0.34168 0.29113 0.28690 -0.24909 0.02297
297 14F+3 -0.25021 0.82995 0.31252 0.18043 0.00000
298 14F-3 0.07924 0.00000 -0.20893 0.36188 0.70412
299 6 H 1S -0.01987 0.00000 0.04209 0.00000 0.02905
300 2S 0.56672 0.00000 0.23062 0.00000 -0.00038
301 3S 8.01037 0.00000 -8.44287 0.00000 -4.62563
302 4S -1.27701 0.00000 -18.16970 0.00000 -4.59169
303 5S 0.65790 0.00000 -0.88927 0.00000 -0.15066
304 6PX 0.00000 -0.03484 0.00000 -0.00163 0.00000
305 6PY -0.01684 0.00000 0.05745 0.00000 0.02541
306 6PZ 0.00089 0.00000 0.02718 0.00000 0.01516
307 7PX 0.00000 0.26475 0.00000 -0.00373 0.00000
308 7PY 0.31768 0.00000 -0.62681 0.00000 -0.32700
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176 177 178 179 180
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193 13F 0 0.01094 -0.01834 -0.01527 0.00000 0.00000
194 13F+1 0.00000 0.00000 0.00000 0.01660 -0.01280
195 13F-1 -0.00004 0.01219 0.01821 0.00000 0.00000
196 13F+2 -0.00430 0.00966 -0.01931 0.00000 0.00000
197 13F-2 0.00000 0.00000 0.00000 -0.00826 -0.00924
198 13F+3 0.00000 0.00000 0.00000 0.00253 0.03359
199 13F-3 0.00897 -0.00448 0.00311 0.00000 0.00000
200 14F 0 0.27079 0.20768 0.31544 0.00000 0.00000
201 14F+1 0.00000 0.00000 0.00000 -0.35204 0.26514
202 14F-1 -0.20733 0.00581 0.96118 0.00000 0.00000
203 14F+2 0.52235 -0.72752 -0.08871 0.00000 0.00000
204 14F-2 0.00000 0.00000 0.00000 -0.40279 -0.61253
205 14F+3 0.00000 0.00000 0.00000 0.64131 0.35851
206 14F-3 -0.78012 -0.12959 0.67954 0.00000 0.00000
207 4 H 1S 0.00776 0.03388 -0.00843 -0.01460 0.00000
208 2S -0.20909 -0.19465 0.04869 0.08433 0.00000
209 3S -8.83850 -15.51847 3.98099 6.89527 0.00000
210 4S -0.39657 -9.67894 2.31826 4.01535 0.00000
211 5S -0.28797 -0.22830 0.63913 1.10700 0.00000
212 6PX 0.00990 0.03593 -0.01101 -0.00022 0.00055
213 6PY 0.00571 0.02074 0.01249 -0.01101 -0.00094
214 6PZ 0.00709 -0.00065 0.00915 0.01586 0.00000
215 7PX -0.15901 -0.47180 0.13591 0.13589 -0.02605
216 7PY -0.09181 -0.27239 -0.02104 0.13591 0.04513
217 7PZ 0.01446 0.07329 -0.05988 -0.10371 0.00000
218 8PX -1.53255 -1.59279 0.42920 0.79189 -0.24037
219 8PY -0.88482 -0.91960 0.29630 0.42920 0.41633
220 8PZ 1.92463 -0.02626 -0.79352 -1.37441 0.00000
221 9PX -0.89790 -1.53404 1.17988 -0.63849 0.49840
222 9PY -0.51840 -0.88568 -2.00090 1.17988 -0.86326
223 9PZ -1.58066 0.71880 -1.81270 -3.13969 0.00000
224 10D 0 0.00281 -0.00682 -0.01482 -0.02567 0.00000
225 10D+1 0.01508 0.00626 0.00327 0.00469 -0.00460
226 10D-1 0.00870 0.00362 0.00092 0.00327 0.00796
227 10D+2 0.00651 -0.00050 -0.00790 0.01240 -0.00285
228 10D-2 0.01127 -0.00087 0.01240 0.00642 0.00165
229 11D 0 -0.01285 0.14355 0.18908 0.32749 0.00000
230 11D+1 -0.15122 0.05329 -0.19292 -0.25811 -0.02089
231 11D-1 -0.08731 0.03077 -0.03534 -0.19292 0.03619
232 11D+2 -0.10673 -0.09375 0.18834 -0.18096 0.18974
233 11D-2 -0.18487 -0.16238 -0.18096 -0.02061 -0.10955
234 12D 0 -0.71056 0.23151 1.16273 2.01390 0.00000
235 12D+1 -1.50887 0.58536 -0.57707 -0.41267 0.08088
236 12D-1 -0.87115 0.33796 0.25367 -0.57707 -0.14008
237 12D+2 -1.07243 0.12085 0.37072 -0.80114 1.67351
238 12D-2 -1.85751 0.20931 -0.80114 -0.55436 -0.96620
239 13F 0 0.01094 -0.01834 0.00764 0.01323 0.00000
240 13F+1 0.00003 -0.01056 0.00070 0.01781 0.00640
241 13F-1 0.00002 -0.00610 0.01700 0.00070 -0.01108
242 13F+2 0.00215 -0.00483 -0.01102 -0.00478 -0.00800
243 13F-2 0.00372 -0.00836 -0.00478 -0.01654 0.00462
244 13F+3 0.00000 0.00000 0.00219 -0.00126 0.03359
245 13F-3 0.00897 -0.00448 -0.00156 -0.00269 0.00000
246 14F 0 0.27079 0.20768 -0.15772 -0.27318 0.00000
247 14F+1 0.17955 -0.00503 0.56864 0.63287 -0.13257
248 14F-1 0.10366 -0.00291 -0.02374 0.56864 0.22962
249 14F+2 -0.26118 0.36376 -0.32427 0.13600 -0.53047
250 14F-2 -0.45237 0.63005 0.13600 -0.16723 0.30627
251 14F+3 0.00000 0.00000 0.55539 -0.32065 0.35851
252 14F-3 -0.78012 -0.12959 -0.33977 -0.58850 0.00000
253 5 H 1S 0.00776 0.03388 -0.00843 0.01460 0.00000
254 2S -0.20909 -0.19465 0.04869 -0.08433 0.00000
255 3S -8.83850 -15.51847 3.98099 -6.89527 0.00000
256 4S -0.39657 -9.67894 2.31826 -4.01535 0.00000
257 5S -0.28797 -0.22830 0.63913 -1.10700 0.00000
258 6PX -0.00990 -0.03593 0.01101 -0.00022 0.00055
259 6PY 0.00571 0.02074 0.01249 0.01101 0.00094
260 6PZ 0.00709 -0.00065 0.00915 -0.01586 0.00000
261 7PX 0.15901 0.47180 -0.13591 0.13589 -0.02605
262 7PY -0.09181 -0.27239 -0.02104 -0.13591 -0.04513
263 7PZ 0.01446 0.07329 -0.05988 0.10371 0.00000
264 8PX 1.53255 1.59279 -0.42920 0.79189 -0.24037
265 8PY -0.88482 -0.91960 0.29630 -0.42920 -0.41633
266 8PZ 1.92463 -0.02626 -0.79352 1.37441 0.00000
267 9PX 0.89790 1.53404 -1.17988 -0.63849 0.49840
268 9PY -0.51840 -0.88568 -2.00090 -1.17988 0.86326
269 9PZ -1.58066 0.71880 -1.81270 3.13969 0.00000
270 10D 0 0.00281 -0.00682 -0.01482 0.02567 0.00000
271 10D+1 -0.01508 -0.00626 -0.00327 0.00469 -0.00460
272 10D-1 0.00870 0.00362 0.00092 -0.00327 -0.00796
273 10D+2 0.00651 -0.00050 -0.00790 -0.01240 0.00285
274 10D-2 -0.01127 0.00087 -0.01240 0.00642 0.00165
275 11D 0 -0.01285 0.14355 0.18908 -0.32749 0.00000
276 11D+1 0.15122 -0.05329 0.19292 -0.25811 -0.02089
277 11D-1 -0.08731 0.03077 -0.03534 0.19292 -0.03619
278 11D+2 -0.10673 -0.09375 0.18834 0.18096 -0.18974
279 11D-2 0.18487 0.16238 0.18096 -0.02061 -0.10955
280 12D 0 -0.71056 0.23151 1.16273 -2.01390 0.00000
281 12D+1 1.50887 -0.58536 0.57707 -0.41267 0.08088
282 12D-1 -0.87115 0.33796 0.25367 0.57707 0.14008
283 12D+2 -1.07243 0.12085 0.37072 0.80114 -1.67351
284 12D-2 1.85751 -0.20931 0.80114 -0.55436 -0.96620
285 13F 0 0.01094 -0.01834 0.00764 -0.01323 0.00000
286 13F+1 -0.00003 0.01056 -0.00070 0.01781 0.00640
287 13F-1 0.00002 -0.00610 0.01700 -0.00070 0.01108
288 13F+2 0.00215 -0.00483 -0.01102 0.00478 0.00800
289 13F-2 -0.00372 0.00836 0.00478 -0.01654 0.00462
290 13F+3 0.00000 0.00000 -0.00219 -0.00126 0.03359
291 13F-3 0.00897 -0.00448 -0.00156 0.00269 0.00000
292 14F 0 0.27079 0.20768 -0.15772 0.27318 0.00000
293 14F+1 -0.17955 0.00503 -0.56864 0.63287 -0.13257
294 14F-1 0.10366 -0.00291 -0.02374 -0.56864 -0.22962
295 14F+2 -0.26118 0.36376 -0.32427 -0.13600 0.53047
296 14F-2 0.45237 -0.63005 -0.13600 -0.16723 0.30627
297 14F+3 0.00000 0.00000 -0.55539 -0.32065 0.35851
298 14F-3 -0.78012 -0.12959 -0.33977 0.58850 0.00000
299 6 H 1S -0.00776 0.03388 -0.01686 0.00000 0.00000
300 2S 0.20909 -0.19465 0.09738 0.00000 0.00000
301 3S 8.83850 -15.51847 7.96197 0.00000 0.00000
302 4S 0.39657 -9.67894 4.63653 0.00000 0.00000
303 5S 0.28797 -0.22830 1.27825 0.00000 0.00000
304 6PX 0.00000 0.00000 0.00000 0.01885 -0.00109
305 6PY -0.01143 0.04149 -0.00658 0.00000 0.00000
306 6PZ 0.00709 0.00065 -0.01831 0.00000 0.00000
307 7PX 0.00000 0.00000 0.00000 -0.09951 0.05211
308 7PY 0.18361 -0.54479 0.21435 0.00000 0.00000
309 7PZ 0.01446 -0.07329 0.11976 0.00000 0.00000
310 8PX 0.00000 0.00000 0.00000 0.04850 0.48074
311 8PY 1.76964 -1.83920 1.03969 0.00000 0.00000
312 8PZ 1.92463 0.02626 1.58703 0.00000 0.00000
313 9PX 0.00000 0.00000 0.00000 -2.68211 -0.99681
314 9PY 1.03681 -1.77135 0.04272 0.00000 0.00000
315 9PZ -1.58066 -0.71880 3.62541 0.00000 0.00000
316 10D 0 -0.00281 -0.00682 -0.02964 0.00000 0.00000
317 10D+1 0.00000 0.00000 0.00000 0.00097 -0.00919
318 10D-1 0.01741 -0.00723 -0.00658 0.00000 0.00000
319 10D+2 0.01301 0.00101 -0.01358 0.00000 0.00000
320 10D-2 0.00000 0.00000 0.00000 0.01506 0.00329
321 11D 0 0.01285 0.14355 0.37816 0.00000 0.00000
322 11D+1 0.00000 0.00000 0.00000 -0.07604 -0.04179
323 11D-1 -0.17462 -0.06153 0.36949 0.00000 0.00000
324 11D+2 -0.21347 0.18750 0.12508 0.00000 0.00000
325 11D-2 0.00000 0.00000 0.00000 -0.29282 -0.21909
326 12D 0 0.71056 0.23151 2.32545 0.00000 0.00000
327 12D+1 0.00000 0.00000 0.00000 -0.58683 0.16175
328 12D-1 -1.74229 -0.67591 0.74584 0.00000 0.00000
329 12D+2 -2.14487 -0.24169 1.01691 0.00000 0.00000
330 12D-2 0.00000 0.00000 0.00000 -0.83326 -1.93240
331 13F 0 0.01094 0.01834 -0.01527 0.00000 0.00000
332 13F+1 0.00000 0.00000 0.00000 0.01660 -0.01280
333 13F-1 -0.00004 -0.01219 0.01821 0.00000 0.00000
334 13F+2 -0.00430 -0.00966 -0.01931 0.00000 0.00000
335 13F-2 0.00000 0.00000 0.00000 -0.00826 -0.00924
336 13F+3 0.00000 0.00000 0.00000 0.00253 0.03359
337 13F-3 0.00897 0.00448 0.00311 0.00000 0.00000
338 14F 0 0.27079 -0.20768 0.31544 0.00000 0.00000
339 14F+1 0.00000 0.00000 0.00000 -0.35204 0.26514
340 14F-1 -0.20733 -0.00581 0.96118 0.00000 0.00000
341 14F+2 0.52235 0.72752 -0.08871 0.00000 0.00000
342 14F-2 0.00000 0.00000 0.00000 -0.40279 -0.61253
343 14F+3 0.00000 0.00000 0.00000 0.64131 0.35851
344 14F-3 -0.78012 0.12959 0.67954 0.00000 0.00000
345 7 H 1S -0.00776 0.03388 0.00843 -0.01460 0.00000
346 2S 0.20909 -0.19465 -0.04869 0.08433 0.00000
347 3S 8.83850 -15.51847 -3.98099 6.89527 0.00000
348 4S 0.39657 -9.67894 -2.31826 4.01535 0.00000
349 5S 0.28797 -0.22830 -0.63913 1.10700 0.00000
350 6PX -0.00990 0.03593 0.01101 -0.00022 0.00055
351 6PY 0.00571 -0.02074 0.01249 0.01101 0.00094
352 6PZ 0.00709 0.00065 0.00915 -0.01586 0.00000
353 7PX 0.15901 -0.47180 -0.13591 0.13589 -0.02605
354 7PY -0.09181 0.27239 -0.02104 -0.13591 -0.04513
355 7PZ 0.01446 -0.07329 -0.05988 0.10371 0.00000
356 8PX 1.53255 -1.59279 -0.42920 0.79189 -0.24037
357 8PY -0.88482 0.91960 0.29630 -0.42920 -0.41633
358 8PZ 1.92463 0.02626 -0.79352 1.37441 0.00000
359 9PX 0.89790 -1.53404 -1.17988 -0.63849 0.49840
360 9PY -0.51840 0.88568 -2.00090 -1.17988 0.86326
361 9PZ -1.58066 -0.71880 -1.81270 3.13969 0.00000
362 10D 0 -0.00281 -0.00682 0.01482 -0.02567 0.00000
363 10D+1 0.01508 -0.00626 0.00327 -0.00469 0.00460
364 10D-1 -0.00870 0.00362 -0.00092 0.00327 0.00796
365 10D+2 -0.00651 -0.00050 0.00790 0.01240 -0.00285
366 10D-2 0.01127 0.00087 0.01240 -0.00642 -0.00165
367 11D 0 0.01285 0.14355 -0.18908 0.32749 0.00000
368 11D+1 -0.15122 -0.05329 -0.19292 0.25811 0.02089
369 11D-1 0.08731 0.03077 0.03534 -0.19292 0.03619
370 11D+2 0.10673 -0.09375 -0.18834 -0.18096 0.18974
371 11D-2 -0.18487 0.16238 -0.18096 0.02061 0.10955
372 12D 0 0.71056 0.23151 -1.16273 2.01390 0.00000
373 12D+1 -1.50887 -0.58536 -0.57707 0.41267 -0.08088
374 12D-1 0.87115 0.33796 -0.25367 -0.57707 -0.14008
375 12D+2 1.07243 0.12085 -0.37072 -0.80114 1.67351
376 12D-2 -1.85751 -0.20931 -0.80114 0.55436 0.96620
377 13F 0 0.01094 0.01834 0.00764 -0.01323 0.00000
378 13F+1 -0.00003 -0.01056 -0.00070 0.01781 0.00640
379 13F-1 0.00002 0.00610 0.01700 -0.00070 0.01108
380 13F+2 0.00215 0.00483 -0.01102 0.00478 0.00800
381 13F-2 -0.00372 -0.00836 0.00478 -0.01654 0.00462
382 13F+3 0.00000 0.00000 -0.00219 -0.00126 0.03359
383 13F-3 0.00897 0.00448 -0.00156 0.00269 0.00000
384 14F 0 0.27079 -0.20768 -0.15772 0.27318 0.00000
385 14F+1 -0.17955 -0.00503 -0.56864 0.63287 -0.13257
386 14F-1 0.10366 0.00291 -0.02374 -0.56864 -0.22962
387 14F+2 -0.26118 -0.36376 -0.32427 -0.13600 0.53047
388 14F-2 0.45237 0.63005 -0.13600 -0.16723 0.30627
389 14F+3 0.00000 0.00000 -0.55539 -0.32065 0.35851
390 14F-3 -0.78012 0.12959 -0.33977 0.58850 0.00000
391 8 H 1S -0.00776 0.03388 0.00843 0.01460 0.00000
392 2S 0.20909 -0.19465 -0.04869 -0.08433 0.00000
393 3S 8.83850 -15.51847 -3.98099 -6.89527 0.00000
394 4S 0.39657 -9.67894 -2.31826 -4.01535 0.00000
395 5S 0.28797 -0.22830 -0.63913 -1.10700 0.00000
396 6PX 0.00990 -0.03593 -0.01101 -0.00022 0.00055
397 6PY 0.00571 -0.02074 0.01249 -0.01101 -0.00094
398 6PZ 0.00709 0.00065 0.00915 0.01586 0.00000
399 7PX -0.15901 0.47180 0.13591 0.13589 -0.02605
400 7PY -0.09181 0.27239 -0.02104 0.13591 0.04513
401 7PZ 0.01446 -0.07329 -0.05988 -0.10371 0.00000
402 8PX -1.53255 1.59279 0.42920 0.79189 -0.24037
403 8PY -0.88482 0.91960 0.29630 0.42920 0.41633
404 8PZ 1.92463 0.02626 -0.79352 -1.37441 0.00000
405 9PX -0.89790 1.53404 1.17988 -0.63849 0.49840
406 9PY -0.51840 0.88568 -2.00090 1.17988 -0.86326
407 9PZ -1.58066 -0.71880 -1.81270 -3.13969 0.00000
408 10D 0 -0.00281 -0.00682 0.01482 0.02567 0.00000
409 10D+1 -0.01508 0.00626 -0.00327 -0.00469 0.00460
410 10D-1 -0.00870 0.00362 -0.00092 -0.00327 -0.00796
411 10D+2 -0.00651 -0.00050 0.00790 -0.01240 0.00285
412 10D-2 -0.01127 -0.00087 -0.01240 -0.00642 -0.00165
413 11D 0 0.01285 0.14355 -0.18908 -0.32749 0.00000
414 11D+1 0.15122 0.05329 0.19292 0.25811 0.02089
415 11D-1 0.08731 0.03077 0.03534 0.19292 -0.03619
416 11D+2 0.10673 -0.09375 -0.18834 0.18096 -0.18974
417 11D-2 0.18487 -0.16238 0.18096 0.02061 0.10955
418 12D 0 0.71056 0.23151 -1.16273 -2.01390 0.00000
419 12D+1 1.50887 0.58536 0.57707 0.41267 -0.08088
420 12D-1 0.87115 0.33796 -0.25367 0.57707 0.14008
421 12D+2 1.07243 0.12085 -0.37072 0.80114 -1.67351
422 12D-2 1.85751 0.20931 0.80114 0.55436 0.96620
423 13F 0 0.01094 0.01834 0.00764 0.01323 0.00000
424 13F+1 0.00003 0.01056 0.00070 0.01781 0.00640
425 13F-1 0.00002 0.00610 0.01700 0.00070 -0.01108
426 13F+2 0.00215 0.00483 -0.01102 -0.00478 -0.00800
427 13F-2 0.00372 0.00836 -0.00478 -0.01654 0.00462
428 13F+3 0.00000 0.00000 0.00219 -0.00126 0.03359
429 13F-3 0.00897 0.00448 -0.00156 -0.00269 0.00000
430 14F 0 0.27079 -0.20768 -0.15772 -0.27318 0.00000
431 14F+1 0.17955 0.00503 0.56864 0.63287 -0.13257
432 14F-1 0.10366 0.00291 -0.02374 0.56864 0.22962
433 14F+2 -0.26118 -0.36376 -0.32427 0.13600 -0.53047
434 14F-2 -0.45237 -0.63005 0.13600 -0.16723 0.30627
435 14F+3 0.00000 0.00000 0.55539 -0.32065 0.35851
436 14F-3 -0.78012 0.12959 -0.33977 -0.58850 0.00000
181 182 183 184 185
(A2U)--V (A2U)--V (A1G)--V (EG)--V (EG)--V
Eigenvalues -- 2.30384 2.32841 2.34423 2.35091 2.35091
1 1 C 1S 0.03054 0.00642 0.00774 0.00000 0.00000
2 2S -0.13191 0.00244 -0.03645 0.00000 0.00000
3 3S -1.80822 0.16405 -1.13315 0.00000 0.00000
4 4S 3.80023 -2.89986 15.13455 0.00000 0.00000
5 5S 96.78668 -8.42762 21.22246 0.00000 0.00000
6 6S 21.45085 -1.90421 1.29716 0.00000 0.00000
7 7PX 0.00000 0.00000 0.00000 0.00000 -0.00324
8 7PY 0.00000 0.00000 0.00000 -0.00324 0.00000
9 7PZ 0.01790 -0.08768 -0.11783 0.00000 0.00000
10 8PX 0.00000 0.00000 0.00000 0.00000 -0.95464
11 8PY 0.00000 0.00000 0.00000 -0.95464 0.00000
12 8PZ 0.06842 -0.68640 -0.33691 0.00000 0.00000
13 9PX 0.00000 0.00000 0.00000 0.00000 4.81556
14 9PY 0.00000 0.00000 0.00000 4.81556 0.00000
15 9PZ 4.79020 2.18585 6.84131 0.00000 0.00000
16 10PX 0.00000 0.00000 0.00000 0.00000 16.59683
17 10PY 0.00000 0.00000 0.00000 16.59683 0.00000
18 10PZ -17.94697 41.98249 5.16638 0.00000 0.00000
19 11PX 0.00000 0.00000 0.00000 0.00000 1.53660
20 11PY 0.00000 0.00000 0.00000 1.53660 0.00000
21 11PZ -3.73559 2.21047 0.68346 0.00000 0.00000
22 12D 0 -0.05229 0.10137 -0.02774 0.00000 0.00000
23 12D+1 0.00000 0.00000 0.00000 0.00000 -0.00519
24 12D-1 0.00000 0.00000 0.00000 -0.00519 0.00000
25 12D+2 0.00000 0.00000 0.00000 0.02804 0.00000
26 12D-2 0.00000 0.00000 0.00000 0.00000 0.02804
27 13D 0 0.34125 -0.69998 0.11892 0.00000 0.00000
28 13D+1 0.00000 0.00000 0.00000 0.00000 -0.11741
29 13D-1 0.00000 0.00000 0.00000 -0.11741 0.00000
30 13D+2 0.00000 0.00000 0.00000 0.44085 0.00000
31 13D-2 0.00000 0.00000 0.00000 0.00000 0.44085
32 14D 0 -4.01719 0.58019 -4.48850 0.00000 0.00000
33 14D+1 0.00000 0.00000 0.00000 0.00000 6.28649
34 14D-1 0.00000 0.00000 0.00000 6.28649 0.00000
35 14D+2 0.00000 0.00000 0.00000 -7.22132 0.00000
36 14D-2 0.00000 0.00000 0.00000 0.00000 -7.22132
37 15D 0 3.22381 -3.84678 0.29073 0.00000 0.00000
38 15D+1 0.00000 0.00000 0.00000 0.00000 -2.02410
39 15D-1 0.00000 0.00000 0.00000 -2.02410 0.00000
40 15D+2 0.00000 0.00000 0.00000 -2.54338 0.00000
41 15D-2 0.00000 0.00000 0.00000 0.00000 -2.54338
42 16F 0 0.01733 -0.04558 0.01020 0.00000 0.00000
43 16F+1 0.00000 0.00000 0.00000 0.00000 0.00337
44 16F-1 0.00000 0.00000 0.00000 0.00337 0.00000
45 16F+2 0.00000 0.00000 0.00000 0.01347 0.00000
46 16F-2 0.00000 0.00000 0.00000 0.00000 0.01347
47 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000
48 16F-3 -0.00497 -0.00023 -0.03013 0.00000 0.00000
49 17F 0 -1.38177 1.01982 -0.68651 0.00000 0.00000
50 17F+1 0.00000 0.00000 0.00000 0.00000 -0.18360
51 17F-1 0.00000 0.00000 0.00000 -0.18360 0.00000
52 17F+2 0.00000 0.00000 0.00000 -0.16201 0.00000
53 17F-2 0.00000 0.00000 0.00000 0.00000 -0.16201
54 17F+3 0.00000 0.00000 0.00000 0.00000 0.00000
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191 192 193 194 195
(EU)--V (A2U)--V (EU)--V (EU)--V (A1U)--V
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424 13F+1 -0.00781 0.01066 0.00722 0.00082 -0.00289
425 13F-1 0.00677 0.00615 -0.00082 -0.00816 0.00500
426 13F+2 0.00941 -0.00271 0.00113 0.01864 -0.00080
427 13F-2 -0.00125 -0.00470 -0.01733 -0.00113 0.00046
428 13F+3 -0.00269 0.00000 -0.00286 -0.00496 -0.04096
429 13F-3 0.00088 -0.00628 0.00695 -0.00401 0.00000
430 14F 0 -0.44910 -0.81049 -0.05917 0.03416 0.00000
431 14F+1 0.26577 0.28343 -0.07367 -0.34524 0.05439
432 14F-1 -0.28851 0.16364 0.34524 0.47232 -0.09421
433 14F+2 -0.10812 0.14197 -0.22425 -0.27661 0.71970
434 14F-2 0.44386 0.24590 0.01768 0.22425 -0.41552
435 14F+3 -0.05492 0.00000 0.62459 1.08183 0.04442
436 14F-3 -0.23431 -0.07091 -0.06654 0.03842 0.00000
196 197 198 199 200
(EG)--V (EG)--V (A1G)--V (EG)--V (EG)--V
Eigenvalues -- 2.52286 2.52286 2.55394 2.62058 2.62058
1 1 C 1S 0.00000 0.00000 0.01499 0.00000 0.00000
2 2S 0.00000 0.00000 -0.04234 0.00000 0.00000
3 3S 0.00000 0.00000 -1.28420 0.00000 0.00000
4 4S 0.00000 0.00000 11.57813 0.00000 0.00000
5 5S 0.00000 0.00000 0.32300 0.00000 0.00000
6 6S 0.00000 0.00000 1.18267 0.00000 0.00000
7 7PX 0.00000 0.08221 0.00000 -0.02863 0.00000
8 7PY 0.08221 0.00000 0.00000 0.00000 -0.02863
9 7PZ 0.00000 0.00000 0.06978 0.00000 0.00000
10 8PX 0.00000 -0.21211 0.00000 -0.09831 0.00000
11 8PY -0.21211 0.00000 0.00000 0.00000 -0.09831
12 8PZ 0.00000 0.00000 -0.08186 0.00000 0.00000
13 9PX 0.00000 6.41523 0.00000 -0.37212 0.00000
14 9PY 6.41523 0.00000 0.00000 0.00000 -0.37212
15 9PZ 0.00000 0.00000 7.74391 0.00000 0.00000
16 10PX 0.00000 -6.15563 0.00000 0.40258 0.00000
17 10PY -6.15563 0.00000 0.00000 0.00000 0.40258
18 10PZ 0.00000 0.00000 0.45067 0.00000 0.00000
19 11PX 0.00000 0.02107 0.00000 0.00931 0.00000
20 11PY 0.02107 0.00000 0.00000 0.00000 0.00931
21 11PZ 0.00000 0.00000 0.19571 0.00000 0.00000
22 12D 0 0.00000 0.00000 -0.05823 0.00000 0.00000
23 12D+1 0.00000 -0.01296 0.00000 -0.05813 0.00000
24 12D-1 -0.01296 0.00000 0.00000 0.00000 -0.05813
25 12D+2 -0.03550 0.00000 0.00000 0.00000 0.02945
26 12D-2 0.00000 -0.03550 0.00000 0.02945 0.00000
27 13D 0 0.00000 0.00000 0.68111 0.00000 0.00000
28 13D+1 0.00000 0.16699 0.00000 -0.05818 0.00000
29 13D-1 0.16699 0.00000 0.00000 0.00000 -0.05818
30 13D+2 0.40268 0.00000 0.00000 0.00000 -0.05020
31 13D-2 0.00000 0.40268 0.00000 -0.05020 0.00000
32 14D 0 0.00000 0.00000 -1.67344 0.00000 0.00000
33 14D+1 0.00000 -0.35326 0.00000 6.86441 0.00000
34 14D-1 -0.35326 0.00000 0.00000 0.00000 6.86441
35 14D+2 0.91547 0.00000 0.00000 0.00000 -0.55089
36 14D-2 0.00000 0.91547 0.00000 -0.55089 0.00000
37 15D 0 0.00000 0.00000 0.71138 0.00000 0.00000
38 15D+1 0.00000 2.72271 0.00000 0.58979 0.00000
39 15D-1 2.72271 0.00000 0.00000 0.00000 0.58979
40 15D+2 1.70979 0.00000 0.00000 0.00000 0.47614
41 15D-2 0.00000 1.70979 0.00000 0.47614 0.00000
42 16F 0 0.00000 0.00000 -0.04693 0.00000 0.00000
43 16F+1 0.00000 -0.01857 0.00000 0.08153 0.00000
44 16F-1 -0.01857 0.00000 0.00000 0.00000 0.08153
45 16F+2 0.00855 0.00000 0.00000 0.00000 0.00385
46 16F-2 0.00000 0.00855 0.00000 0.00385 0.00000
47 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000
48 16F-3 0.00000 0.00000 -0.02056 0.00000 0.00000
49 17F 0 0.00000 0.00000 -0.06464 0.00000 0.00000
50 17F+1 0.00000 0.49684 0.00000 -2.53573 0.00000
51 17F-1 0.49684 0.00000 0.00000 0.00000 -2.53573
52 17F+2 0.00883 0.00000 0.00000 0.00000 0.40514
53 17F-2 0.00000 0.00883 0.00000 0.40514 0.00000
54 17F+3 0.00000 0.00000 0.00000 0.00000 0.00000
55 17F-3 0.00000 0.00000 0.17389 0.00000 0.00000
56 18F 0 0.00000 0.00000 2.29720 0.00000 0.00000
57 18F+1 0.00000 1.30271 0.00000 -4.58903 0.00000
58 18F-1 1.30271 0.00000 0.00000 0.00000 -4.58903
59 18F+2 1.38760 0.00000 0.00000 0.00000 -0.00692
60 18F-2 0.00000 1.38760 0.00000 -0.00692 0.00000
61 18F+3 0.00000 0.00000 0.00000 0.00000 0.00000
62 18F-3 0.00000 0.00000 0.54840 0.00000 0.00000
63 19G 0 0.00000 0.00000 -0.02060 0.00000 0.00000
64 19G+1 0.00000 -0.02480 0.00000 0.01162 0.00000
65 19G-1 -0.02480 0.00000 0.00000 0.00000 0.01162
66 19G+2 -0.01771 0.00000 0.00000 0.00000 0.01505
67 19G-2 0.00000 -0.01771 0.00000 0.01505 0.00000
68 19G+3 0.00000 0.00000 0.00000 0.00000 0.00000
69 19G-3 0.00000 0.00000 -0.04831 0.00000 0.00000
70 19G+4 -0.00899 0.00000 0.00000 0.00000 0.01518
71 19G-4 0.00000 0.00899 0.00000 -0.01518 0.00000
72 20G 0 0.00000 0.00000 -0.52492 0.00000 0.00000
73 20G+1 0.00000 -0.27002 0.00000 0.62320 0.00000
74 20G-1 -0.27002 0.00000 0.00000 0.00000 0.62320
75 20G+2 0.06581 0.00000 0.00000 0.00000 0.74573
76 20G-2 0.00000 0.06581 0.00000 0.74573 0.00000
77 20G+3 0.00000 0.00000 0.00000 0.00000 0.00000
78 20G-3 0.00000 0.00000 0.22084 0.00000 0.00000
79 20G+4 0.35125 0.00000 0.00000 0.00000 0.83763
80 20G-4 0.00000 -0.35125 0.00000 -0.83763 0.00000
81 2 C 1S 0.00000 0.00000 0.01499 0.00000 0.00000
82 2S 0.00000 0.00000 -0.04234 0.00000 0.00000
83 3S 0.00000 0.00000 -1.28420 0.00000 0.00000
84 4S 0.00000 0.00000 11.57813 0.00000 0.00000
85 5S 0.00000 0.00000 0.32300 0.00000 0.00000
86 6S 0.00000 0.00000 1.18267 0.00000 0.00000
87 7PX 0.00000 -0.08221 0.00000 0.02863 0.00000
88 7PY -0.08221 0.00000 0.00000 0.00000 0.02863
89 7PZ 0.00000 0.00000 -0.06978 0.00000 0.00000
90 8PX 0.00000 0.21211 0.00000 0.09831 0.00000
91 8PY 0.21211 0.00000 0.00000 0.00000 0.09831
92 8PZ 0.00000 0.00000 0.08186 0.00000 0.00000
93 9PX 0.00000 -6.41523 0.00000 0.37212 0.00000
94 9PY -6.41523 0.00000 0.00000 0.00000 0.37212
95 9PZ 0.00000 0.00000 -7.74391 0.00000 0.00000
96 10PX 0.00000 6.15563 0.00000 -0.40258 0.00000
97 10PY 6.15563 0.00000 0.00000 0.00000 -0.40258
98 10PZ 0.00000 0.00000 -0.45067 0.00000 0.00000
99 11PX 0.00000 -0.02107 0.00000 -0.00931 0.00000
100 11PY -0.02107 0.00000 0.00000 0.00000 -0.00931
101 11PZ 0.00000 0.00000 -0.19571 0.00000 0.00000
102 12D 0 0.00000 0.00000 -0.05823 0.00000 0.00000
103 12D+1 0.00000 -0.01296 0.00000 -0.05813 0.00000
104 12D-1 -0.01296 0.00000 0.00000 0.00000 -0.05813
105 12D+2 -0.03550 0.00000 0.00000 0.00000 0.02945
106 12D-2 0.00000 -0.03550 0.00000 0.02945 0.00000
107 13D 0 0.00000 0.00000 0.68111 0.00000 0.00000
108 13D+1 0.00000 0.16699 0.00000 -0.05818 0.00000
109 13D-1 0.16699 0.00000 0.00000 0.00000 -0.05818
110 13D+2 0.40268 0.00000 0.00000 0.00000 -0.05020
111 13D-2 0.00000 0.40268 0.00000 -0.05020 0.00000
112 14D 0 0.00000 0.00000 -1.67344 0.00000 0.00000
113 14D+1 0.00000 -0.35326 0.00000 6.86441 0.00000
114 14D-1 -0.35326 0.00000 0.00000 0.00000 6.86441
115 14D+2 0.91547 0.00000 0.00000 0.00000 -0.55089
116 14D-2 0.00000 0.91547 0.00000 -0.55089 0.00000
117 15D 0 0.00000 0.00000 0.71138 0.00000 0.00000
118 15D+1 0.00000 2.72271 0.00000 0.58979 0.00000
119 15D-1 2.72271 0.00000 0.00000 0.00000 0.58979
120 15D+2 1.70979 0.00000 0.00000 0.00000 0.47614
121 15D-2 0.00000 1.70979 0.00000 0.47614 0.00000
122 16F 0 0.00000 0.00000 0.04693 0.00000 0.00000
123 16F+1 0.00000 0.01857 0.00000 -0.08153 0.00000
124 16F-1 0.01857 0.00000 0.00000 0.00000 -0.08153
125 16F+2 -0.00855 0.00000 0.00000 0.00000 -0.00385
126 16F-2 0.00000 -0.00855 0.00000 -0.00385 0.00000
127 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000
128 16F-3 0.00000 0.00000 0.02056 0.00000 0.00000
129 17F 0 0.00000 0.00000 0.06464 0.00000 0.00000
130 17F+1 0.00000 -0.49684 0.00000 2.53573 0.00000
131 17F-1 -0.49684 0.00000 0.00000 0.00000 2.53573
132 17F+2 -0.00883 0.00000 0.00000 0.00000 -0.40514
133 17F-2 0.00000 -0.00883 0.00000 -0.40514 0.00000
134 17F+3 0.00000 0.00000 0.00000 0.00000 0.00000
135 17F-3 0.00000 0.00000 -0.17389 0.00000 0.00000
136 18F 0 0.00000 0.00000 -2.29720 0.00000 0.00000
137 18F+1 0.00000 -1.30271 0.00000 4.58903 0.00000
138 18F-1 -1.30271 0.00000 0.00000 0.00000 4.58903
139 18F+2 -1.38760 0.00000 0.00000 0.00000 0.00692
140 18F-2 0.00000 -1.38760 0.00000 0.00692 0.00000
141 18F+3 0.00000 0.00000 0.00000 0.00000 0.00000
142 18F-3 0.00000 0.00000 -0.54840 0.00000 0.00000
143 19G 0 0.00000 0.00000 -0.02060 0.00000 0.00000
144 19G+1 0.00000 -0.02480 0.00000 0.01162 0.00000
145 19G-1 -0.02480 0.00000 0.00000 0.00000 0.01162
146 19G+2 -0.01771 0.00000 0.00000 0.00000 0.01505
147 19G-2 0.00000 -0.01771 0.00000 0.01505 0.00000
148 19G+3 0.00000 0.00000 0.00000 0.00000 0.00000
149 19G-3 0.00000 0.00000 -0.04831 0.00000 0.00000
150 19G+4 -0.00899 0.00000 0.00000 0.00000 0.01518
151 19G-4 0.00000 0.00899 0.00000 -0.01518 0.00000
152 20G 0 0.00000 0.00000 -0.52492 0.00000 0.00000
153 20G+1 0.00000 -0.27002 0.00000 0.62320 0.00000
154 20G-1 -0.27002 0.00000 0.00000 0.00000 0.62320
155 20G+2 0.06581 0.00000 0.00000 0.00000 0.74573
156 20G-2 0.00000 0.06581 0.00000 0.74573 0.00000
157 20G+3 0.00000 0.00000 0.00000 0.00000 0.00000
158 20G-3 0.00000 0.00000 0.22084 0.00000 0.00000
159 20G+4 0.35125 0.00000 0.00000 0.00000 0.83763
160 20G-4 0.00000 -0.35125 0.00000 -0.83763 0.00000
161 3 H 1S 0.01300 0.00000 0.00861 0.00000 0.01476
162 2S -0.16692 0.00000 0.36964 0.00000 -0.28809
163 3S 0.04339 0.00000 -3.15001 0.00000 -6.26624
164 4S 3.31356 0.00000 -0.74862 0.00000 1.45576
165 5S 0.05478 0.00000 -0.07993 0.00000 0.09399
166 6PX 0.00000 0.03168 0.00000 0.01336 0.00000
167 6PY 0.01050 0.00000 -0.02597 0.00000 -0.01158
168 6PZ -0.00376 0.00000 0.01392 0.00000 -0.05144
169 7PX 0.00000 -0.19822 0.00000 -0.15146 0.00000
170 7PY 0.00026 0.00000 0.14268 0.00000 0.21852
171 7PZ 0.06702 0.00000 -0.04268 0.00000 0.56241
172 8PX 0.00000 -0.77819 0.00000 -1.87782 0.00000
173 8PY 1.16895 0.00000 2.09669 0.00000 -0.85246
174 8PZ 0.01965 0.00000 0.75506 0.00000 3.12983
175 9PX 0.00000 -2.11423 0.00000 -0.87494 0.00000
176 9PY -0.38403 0.00000 0.32113 0.00000 -0.59813
177 9PZ -1.77045 0.00000 -0.65839 0.00000 -0.15776
178 10D 0 0.00238 0.00000 -0.01942 0.00000 0.00379
179 10D+1 0.00000 -0.00160 0.00000 0.00276 0.00000
180 10D-1 -0.00065 0.00000 -0.01284 0.00000 0.00295
181 10D+2 0.00874 0.00000 -0.00441 0.00000 0.01412
182 10D-2 0.00000 -0.01846 0.00000 -0.00818 0.00000
183 11D 0 -0.00490 0.00000 0.30327 0.00000 -0.43719
184 11D+1 0.00000 0.06171 0.00000 0.05464 0.00000
185 11D-1 0.10026 0.00000 0.15978 0.00000 -0.54132
186 11D+2 -0.08117 0.00000 0.17985 0.00000 -0.24466
187 11D-2 0.00000 0.30217 0.00000 0.26662 0.00000
188 12D 0 -0.41827 0.00000 0.46847 0.00000 1.11927
189 12D+1 0.00000 0.05664 0.00000 0.75998 0.00000
190 12D-1 0.90240 0.00000 1.27777 0.00000 -0.27596
191 12D+2 -0.22151 0.00000 0.49961 0.00000 -1.02804
192 12D-2 0.00000 1.21424 0.00000 0.13390 0.00000
193 13F 0 -0.01231 0.00000 0.00087 0.00000 0.00781
194 13F+1 0.00000 0.00570 0.00000 -0.00450 0.00000
195 13F-1 -0.00220 0.00000 -0.00083 0.00000 0.06060
196 13F+2 0.02221 0.00000 -0.01286 0.00000 -0.01807
197 13F-2 0.00000 0.00155 0.00000 -0.01129 0.00000
198 13F+3 0.00000 -0.01123 0.00000 0.00899 0.00000
199 13F-3 -0.02713 0.00000 -0.00931 0.00000 0.01354
200 14F 0 0.76968 0.00000 0.23089 0.00000 -0.45206
201 14F+1 0.00000 -0.12268 0.00000 -0.13617 0.00000
202 14F-1 -0.30249 0.00000 -0.91362 0.00000 -0.48991
203 14F+2 -0.03472 0.00000 0.62412 0.00000 -0.02863
204 14F-2 0.00000 -0.40538 0.00000 -0.13276 0.00000
205 14F+3 0.00000 0.88511 0.00000 -0.12142 0.00000
206 14F-3 0.82287 0.00000 -0.06759 0.00000 0.25737
207 4 H 1S -0.00650 -0.01126 0.00861 -0.01279 -0.00738
208 2S 0.08346 0.14455 0.36964 0.24949 0.14404
209 3S -0.02169 -0.03757 -3.15001 5.42673 3.13312
210 4S -1.65678 -2.86963 -0.74862 -1.26073 -0.72788
211 5S -0.02739 -0.04744 -0.07993 -0.08140 -0.04699
212 6PX -0.00917 0.01579 0.02249 -0.00534 -0.01080
213 6PY 0.02639 -0.00917 0.01299 -0.01080 0.00712
214 6PZ 0.00188 0.00325 0.01392 0.04455 0.02572
215 7PX 0.08595 -0.04936 -0.12356 0.12603 0.16021
216 7PY -0.14860 0.08595 -0.07134 0.16021 -0.05896
217 7PZ -0.03351 -0.05804 -0.04268 -0.48706 -0.28120
218 8PX 0.84313 0.68216 -1.81579 -1.10880 0.44399
219 8PY -0.29140 0.84313 -1.04834 0.44399 -1.62148
220 8PZ -0.00982 -0.01702 0.75506 -2.71051 -1.56492
221 9PX 0.74920 -0.81658 -0.27811 -0.66733 0.11986
222 9PY -1.68168 0.74920 -0.16057 0.11986 -0.80574
223 9PZ 0.88523 1.53326 -0.65839 0.13662 0.07888
224 10D 0 -0.00119 -0.00207 -0.01942 -0.00328 -0.00190
225 10D+1 0.00041 -0.00089 0.01112 0.00290 0.00008
226 10D-1 -0.00136 0.00041 0.00642 0.00008 0.00281
227 10D+2 -0.01166 0.01178 0.00220 0.00966 -0.00261
228 10D-2 0.01178 0.00194 0.00382 0.00855 0.00966
229 11D 0 0.00245 0.00425 0.30327 0.37862 0.21859
230 11D+1 0.01669 0.09062 -0.13837 -0.39233 -0.25806
231 11D-1 0.07135 0.01669 -0.07989 -0.25806 -0.09435
232 11D+2 0.20634 -0.16599 -0.08993 -0.22139 0.13880
233 11D-2 -0.16599 0.01466 -0.15576 -0.11684 -0.22139
234 12D 0 0.20913 0.36223 0.46847 -0.96932 -0.55963
235 12D+1 0.36622 0.69096 -1.10658 -0.01698 -0.44858
236 12D-1 0.26808 0.36622 -0.63889 -0.44858 0.50100
237 12D+2 0.85530 -0.62170 -0.24980 -0.50314 -0.15658
238 12D-2 -0.62170 0.13743 -0.43267 -0.73755 -0.50314
239 13F 0 0.00615 0.01066 0.00087 -0.00677 -0.00391
240 13F+1 -0.00342 -0.00023 0.00072 0.04433 0.02819
241 13F-1 0.00372 -0.00342 0.00042 0.02819 0.01178
242 13F+2 0.00671 0.00895 0.00643 -0.00294 -0.01299
243 13F-2 0.00895 0.01704 0.01113 -0.01638 -0.00294
244 13F+3 -0.00973 0.00562 0.00000 -0.00450 0.00779
245 13F-3 0.01356 0.02349 -0.00931 -0.01173 -0.00677
246 14F 0 -0.38484 -0.66657 0.23089 0.39149 0.22603
247 14F+1 -0.07786 -0.25754 0.79122 -0.40147 -0.15317
248 14F-1 -0.16763 -0.07786 0.45681 -0.15317 -0.22460
249 14F+2 -0.31272 0.16050 -0.31206 0.04509 -0.10673
250 14F-2 0.16050 -0.12739 -0.54051 -0.05467 0.04509
251 14F+3 0.76653 -0.44256 0.00000 0.06071 -0.10515
252 14F-3 -0.41143 -0.71263 -0.06759 -0.22289 -0.12869
253 5 H 1S -0.00650 0.01126 0.00861 0.01279 -0.00738
254 2S 0.08346 -0.14455 0.36964 -0.24949 0.14404
255 3S -0.02169 0.03757 -3.15001 -5.42673 3.13312
256 4S -1.65678 2.86963 -0.74862 1.26073 -0.72788
257 5S -0.02739 0.04744 -0.07993 0.08140 -0.04699
258 6PX 0.00917 0.01579 -0.02249 -0.00534 0.01080
259 6PY 0.02639 0.00917 0.01299 0.01080 0.00712
260 6PZ 0.00188 -0.00325 0.01392 -0.04455 0.02572
261 7PX -0.08595 -0.04936 0.12356 0.12603 -0.16021
262 7PY -0.14860 -0.08595 -0.07134 -0.16021 -0.05896
263 7PZ -0.03351 0.05804 -0.04268 0.48706 -0.28120
264 8PX -0.84313 0.68216 1.81579 -1.10880 -0.44399
265 8PY -0.29140 -0.84313 -1.04834 -0.44399 -1.62148
266 8PZ -0.00982 0.01702 0.75506 2.71051 -1.56492
267 9PX -0.74920 -0.81658 0.27811 -0.66733 -0.11986
268 9PY -1.68168 -0.74920 -0.16057 -0.11986 -0.80574
269 9PZ 0.88523 -1.53326 -0.65839 -0.13662 0.07888
270 10D 0 -0.00119 0.00207 -0.01942 0.00328 -0.00190
271 10D+1 -0.00041 -0.00089 -0.01112 0.00290 -0.00008
272 10D-1 -0.00136 -0.00041 0.00642 -0.00008 0.00281
273 10D+2 -0.01166 -0.01178 0.00220 -0.00966 -0.00261
274 10D-2 -0.01178 0.00194 -0.00382 0.00855 -0.00966
275 11D 0 0.00245 -0.00425 0.30327 -0.37862 0.21859
276 11D+1 -0.01669 0.09062 0.13837 -0.39233 0.25806
277 11D-1 0.07135 -0.01669 -0.07989 0.25806 -0.09435
278 11D+2 0.20634 0.16599 -0.08993 0.22139 0.13880
279 11D-2 0.16599 0.01466 0.15576 -0.11684 0.22139
280 12D 0 0.20913 -0.36223 0.46847 0.96932 -0.55963
281 12D+1 -0.36622 0.69096 1.10658 -0.01698 0.44858
282 12D-1 0.26808 -0.36622 -0.63889 0.44858 0.50100
283 12D+2 0.85530 0.62170 -0.24980 0.50314 -0.15658
284 12D-2 0.62170 0.13743 0.43267 -0.73755 0.50314
285 13F 0 0.00615 -0.01066 0.00087 0.00677 -0.00391
286 13F+1 0.00342 -0.00023 -0.00072 0.04433 -0.02819
287 13F-1 0.00372 0.00342 0.00042 -0.02819 0.01178
288 13F+2 0.00671 -0.00895 0.00643 0.00294 -0.01299
289 13F-2 -0.00895 0.01704 -0.01113 -0.01638 0.00294
290 13F+3 0.00973 0.00562 0.00000 -0.00450 -0.00779
291 13F-3 0.01356 -0.02349 -0.00931 0.01173 -0.00677
292 14F 0 -0.38484 0.66657 0.23089 -0.39149 0.22603
293 14F+1 0.07786 -0.25754 -0.79122 -0.40147 0.15317
294 14F-1 -0.16763 0.07786 0.45681 0.15317 -0.22460
295 14F+2 -0.31272 -0.16050 -0.31206 -0.04509 -0.10673
296 14F-2 -0.16050 -0.12739 0.54051 -0.05467 -0.04509
297 14F+3 -0.76653 -0.44256 0.00000 0.06071 0.10515
298 14F-3 -0.41143 0.71263 -0.06759 0.22289 -0.12869
299 6 H 1S 0.01300 0.00000 0.00861 0.00000 0.01476
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179 10D+1 0.00076 0.00000 0.00000 0.00000 0.00773
180 10D-1 0.00000 0.00471 -0.00593 0.02078 0.00000
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182 10D-2 -0.00056 0.00000 0.00000 0.00000 -0.01593
183 11D 0 0.00000 -0.07402 -0.20058 0.49767 0.00000
184 11D+1 0.04673 0.00000 0.00000 0.00000 -0.07084
185 11D-1 0.00000 -0.07911 -0.03881 -0.50816 0.00000
186 11D+2 0.00000 -0.00449 -0.13789 0.73347 0.00000
187 11D-2 0.01617 0.00000 0.00000 0.00000 0.32918
188 12D 0 0.00000 0.61060 0.28902 1.03864 0.00000
189 12D+1 -0.47323 0.00000 0.00000 0.00000 -0.97301
190 12D-1 0.00000 -0.14156 0.24953 0.31339 0.00000
191 12D+2 0.00000 -0.52689 -0.40420 0.78917 0.00000
192 12D-2 0.04579 0.00000 0.00000 0.00000 0.64025
193 13F 0 0.00000 0.01557 0.01856 -0.01591 0.00000
194 13F+1 0.00943 0.00000 0.00000 0.00000 -0.00393
195 13F-1 0.00000 0.00780 -0.00213 -0.01618 0.00000
196 13F+2 0.00000 0.00753 -0.00193 -0.04194 0.00000
197 13F-2 -0.00698 0.00000 0.00000 0.00000 -0.00209
198 13F+3 -0.01601 0.00000 0.00000 0.00000 0.02815
199 13F-3 0.00000 -0.04487 0.00038 -0.05072 0.00000
200 14F 0 0.00000 -0.21803 -0.62852 0.14541 0.00000
201 14F+1 -0.51132 0.00000 0.00000 0.00000 0.57864
202 14F-1 0.00000 0.01283 0.29032 -0.94275 0.00000
203 14F+2 0.00000 -0.16759 0.62468 0.34547 0.00000
204 14F-2 0.09019 0.00000 0.00000 0.00000 -0.02034
205 14F+3 0.14865 0.00000 0.00000 0.00000 0.18670
206 14F-3 0.00000 0.92612 0.04807 0.21816 0.00000
207 4 H 1S 0.00099 0.00057 0.03006 -0.00877 -0.01520
208 2S -0.33154 -0.19141 -0.85651 -0.12679 -0.21961
209 3S 2.00406 1.15704 -5.06797 5.54829 9.60993
210 4S -1.39555 -0.80572 2.61312 6.71027 11.62253
211 5S -0.13383 -0.07727 0.28915 0.54225 0.93920
212 6PX 0.00607 0.00179 0.00654 -0.01402 -0.02630
213 6PY 0.00179 0.00401 0.00378 -0.01011 -0.01402
214 6PZ 0.02739 0.01581 -0.01641 -0.00197 -0.00341
215 7PX -0.04946 -0.02295 -0.36994 0.07409 0.23056
216 7PY -0.02295 -0.02296 -0.21359 0.14501 0.07409
217 7PZ -0.23865 -0.13779 0.28038 0.02724 0.04718
218 8PX 1.41288 1.42440 0.08710 3.77951 4.75022
219 8PY 1.42440 -0.23187 0.05029 0.38601 3.77951
220 8PZ -0.13763 -0.07946 1.84747 -2.66266 -4.61186
221 9PX -0.18725 -0.46690 0.66786 1.73549 1.99463
222 9PY -0.46690 0.35187 0.38559 -0.00934 1.73549
223 9PZ 0.33647 0.19426 -0.11950 0.05105 0.08842
224 10D 0 -0.00058 -0.00033 0.01634 0.00655 0.01134
225 10D+1 0.00372 0.00171 0.00514 0.00565 0.01751
226 10D-1 0.00171 0.00175 0.00297 0.01099 0.00565
227 10D+2 0.00456 0.00208 -0.00817 -0.01506 0.00152
228 10D-2 0.00734 0.00456 -0.01415 0.00152 -0.01331
229 11D 0 0.06410 0.03701 -0.20058 -0.24883 -0.43099
230 11D+1 -0.04765 -0.05449 0.03361 -0.18936 -0.39883
231 11D-1 -0.05449 0.01527 0.01940 -0.18017 -0.18936
232 11D+2 -0.00895 0.01101 0.06894 0.43025 0.17506
233 11D-2 0.00068 -0.00895 0.11942 0.17506 0.63239
234 12D 0 -0.52879 -0.30530 0.28902 -0.51932 -0.89949
235 12D+1 -0.22447 0.14362 -0.21610 0.55703 -0.00821
236 12D-1 0.14362 -0.39031 -0.12476 -0.65141 0.55703
237 12D+2 -0.24797 -0.09738 0.20210 0.67748 0.06448
238 12D-2 -0.38372 -0.24797 0.35005 0.06448 0.75194
239 13F 0 -0.01349 -0.00779 0.01856 0.00796 0.01378
240 13F+1 0.00820 -0.00071 0.00185 -0.00530 -0.01312
241 13F-1 -0.00071 0.00902 0.00107 -0.00699 -0.00530
242 13F+2 0.00628 -0.00335 0.00097 -0.01205 -0.01726
243 13F-2 0.00390 0.00628 0.00167 -0.01726 -0.03198
244 13F+3 0.00800 -0.01386 0.00000 0.02438 -0.01407
245 13F-3 0.03886 0.02244 0.00038 0.02536 0.04392
246 14F 0 0.18882 0.10901 -0.62852 -0.07270 -0.12593
247 14F+1 -0.11821 0.22696 -0.25143 -0.65878 -0.56240
248 14F-1 0.22696 -0.38029 -0.14516 0.19829 -0.65878
249 14F+2 -0.11162 0.02575 -0.31234 0.07112 0.15840
250 14F-2 -0.10314 -0.11162 -0.54099 0.15840 0.25402
251 14F+3 -0.07433 0.12874 0.00000 0.16169 -0.09335
252 14F-3 -0.80205 -0.46306 0.04807 -0.10908 -0.18894
253 5 H 1S -0.00099 0.00057 0.03006 -0.00877 0.01520
254 2S 0.33154 -0.19141 -0.85651 -0.12679 0.21961
255 3S -2.00406 1.15704 -5.06797 5.54829 -9.60993
256 4S 1.39555 -0.80572 2.61312 6.71027 -11.62253
257 5S 0.13383 -0.07727 0.28915 0.54225 -0.93920
258 6PX 0.00607 -0.00179 -0.00654 0.01402 -0.02630
259 6PY -0.00179 0.00401 0.00378 -0.01011 0.01402
260 6PZ -0.02739 0.01581 -0.01641 -0.00197 0.00341
261 7PX -0.04946 0.02295 0.36994 -0.07409 0.23056
262 7PY 0.02295 -0.02296 -0.21359 0.14501 -0.07409
263 7PZ 0.23865 -0.13779 0.28038 0.02724 -0.04718
264 8PX 1.41288 -1.42440 -0.08710 -3.77951 4.75022
265 8PY -1.42440 -0.23187 0.05029 0.38601 -3.77951
266 8PZ 0.13763 -0.07946 1.84747 -2.66266 4.61186
267 9PX -0.18725 0.46690 -0.66786 -1.73549 1.99463
268 9PY 0.46690 0.35187 0.38559 -0.00934 -1.73549
269 9PZ -0.33647 0.19426 -0.11950 0.05105 -0.08842
270 10D 0 0.00058 -0.00033 0.01634 0.00655 -0.01134
271 10D+1 0.00372 -0.00171 -0.00514 -0.00565 0.01751
272 10D-1 -0.00171 0.00175 0.00297 0.01099 -0.00565
273 10D+2 -0.00456 0.00208 -0.00817 -0.01506 -0.00152
274 10D-2 0.00734 -0.00456 0.01415 -0.00152 -0.01331
275 11D 0 -0.06410 0.03701 -0.20058 -0.24883 0.43099
276 11D+1 -0.04765 0.05449 -0.03361 0.18936 -0.39883
277 11D-1 0.05449 0.01527 0.01940 -0.18017 0.18936
278 11D+2 0.00895 0.01101 0.06894 0.43025 -0.17506
279 11D-2 0.00068 0.00895 -0.11942 -0.17506 0.63239
280 12D 0 0.52879 -0.30530 0.28902 -0.51932 0.89949
281 12D+1 -0.22447 -0.14362 0.21610 -0.55703 -0.00821
282 12D-1 -0.14362 -0.39031 -0.12476 -0.65141 -0.55703
283 12D+2 0.24797 -0.09738 0.20210 0.67748 -0.06448
284 12D-2 -0.38372 0.24797 -0.35005 -0.06448 0.75194
285 13F 0 0.01349 -0.00779 0.01856 0.00796 -0.01378
286 13F+1 0.00820 0.00071 -0.00185 0.00530 -0.01312
287 13F-1 0.00071 0.00902 0.00107 -0.00699 0.00530
288 13F+2 -0.00628 -0.00335 0.00097 -0.01205 0.01726
289 13F-2 0.00390 -0.00628 -0.00167 0.01726 -0.03198
290 13F+3 0.00800 0.01386 0.00000 -0.02438 -0.01407
291 13F-3 -0.03886 0.02244 0.00038 0.02536 -0.04392
292 14F 0 -0.18882 0.10901 -0.62852 -0.07270 0.12593
293 14F+1 -0.11821 -0.22696 0.25143 0.65878 -0.56240
294 14F-1 -0.22696 -0.38029 -0.14516 0.19829 0.65878
295 14F+2 0.11162 0.02575 -0.31234 0.07112 -0.15840
296 14F-2 -0.10314 0.11162 0.54099 -0.15840 0.25402
297 14F+3 -0.07433 -0.12874 0.00000 -0.16169 -0.09335
298 14F-3 0.80205 -0.46306 0.04807 -0.10908 0.18894
299 6 H 1S 0.00000 0.00115 -0.03006 0.01755 0.00000
300 2S 0.00000 -0.38283 0.85651 0.25359 0.00000
301 3S 0.00000 2.31408 5.06797 -11.09659 0.00000
302 4S 0.00000 -1.61144 -2.61312 -13.42054 0.00000
303 5S 0.00000 -0.15454 -0.28915 -1.08449 0.00000
304 6PX 0.00298 0.00000 0.00000 0.00000 0.00202
305 6PY 0.00000 0.00711 -0.00755 0.03440 0.00000
306 6PZ 0.00000 -0.03162 -0.01641 -0.00394 0.00000
307 7PX -0.00971 0.00000 0.00000 0.00000 -0.10223
308 7PY 0.00000 -0.06271 0.42717 -0.27334 0.00000
309 7PZ 0.00000 0.27557 0.28038 0.05448 0.00000
310 8PX -1.05425 0.00000 0.00000 0.00000 1.79609
311 8PY 0.00000 2.23526 -0.10058 -6.93232 0.00000
312 8PZ 0.00000 0.15892 1.84747 -5.32532 0.00000
313 9PX 0.62144 0.00000 0.00000 0.00000 1.01132
314 9PY 0.00000 -0.45682 -0.77117 -2.99661 0.00000
315 9PZ 0.00000 -0.38852 -0.11950 0.10209 0.00000
316 10D 0 0.00000 -0.00067 -0.01634 -0.01309 0.00000
317 10D+1 -0.00076 0.00000 0.00000 0.00000 0.00773
318 10D-1 0.00000 -0.00471 0.00593 0.02078 0.00000
319 10D+2 0.00000 -0.00998 -0.01633 -0.01243 0.00000
320 10D-2 0.00056 0.00000 0.00000 0.00000 -0.01593
321 11D 0 0.00000 0.07402 0.20058 0.49767 0.00000
322 11D+1 -0.04673 0.00000 0.00000 0.00000 -0.07084
323 11D-1 0.00000 0.07911 0.03881 -0.50816 0.00000
324 11D+2 0.00000 0.00449 0.13789 0.73347 0.00000
325 11D-2 -0.01617 0.00000 0.00000 0.00000 0.32918
326 12D 0 0.00000 -0.61060 -0.28902 1.03864 0.00000
327 12D+1 0.47323 0.00000 0.00000 0.00000 -0.97301
328 12D-1 0.00000 0.14156 -0.24953 0.31339 0.00000
329 12D+2 0.00000 0.52689 0.40420 0.78917 0.00000
330 12D-2 -0.04579 0.00000 0.00000 0.00000 0.64025
331 13F 0 0.00000 0.01557 0.01856 0.01591 0.00000
332 13F+1 0.00943 0.00000 0.00000 0.00000 0.00393
333 13F-1 0.00000 0.00780 -0.00213 0.01618 0.00000
334 13F+2 0.00000 0.00753 -0.00193 0.04194 0.00000
335 13F-2 -0.00698 0.00000 0.00000 0.00000 0.00209
336 13F+3 -0.01601 0.00000 0.00000 0.00000 -0.02815
337 13F-3 0.00000 -0.04487 0.00038 0.05072 0.00000
338 14F 0 0.00000 -0.21803 -0.62852 -0.14541 0.00000
339 14F+1 -0.51132 0.00000 0.00000 0.00000 -0.57864
340 14F-1 0.00000 0.01283 0.29032 0.94275 0.00000
341 14F+2 0.00000 -0.16759 0.62468 -0.34547 0.00000
342 14F-2 0.09019 0.00000 0.00000 0.00000 0.02034
343 14F+3 0.14865 0.00000 0.00000 0.00000 -0.18670
344 14F-3 0.00000 0.92612 0.04807 -0.21816 0.00000
345 7 H 1S 0.00099 -0.00057 -0.03006 -0.00877 0.01520
346 2S -0.33154 0.19141 0.85651 -0.12679 0.21961
347 3S 2.00406 -1.15704 5.06797 5.54829 -9.60993
348 4S -1.39555 0.80572 -2.61312 6.71027 -11.62253
349 5S -0.13383 0.07727 -0.28915 0.54225 -0.93920
350 6PX 0.00607 -0.00179 -0.00654 -0.01402 0.02630
351 6PY -0.00179 0.00401 0.00378 0.01011 -0.01402
352 6PZ -0.02739 0.01581 -0.01641 0.00197 -0.00341
353 7PX -0.04946 0.02295 0.36994 0.07409 -0.23056
354 7PY 0.02295 -0.02296 -0.21359 -0.14501 0.07409
355 7PZ 0.23865 -0.13779 0.28038 -0.02724 0.04718
356 8PX 1.41288 -1.42440 -0.08710 3.77951 -4.75022
357 8PY -1.42440 -0.23187 0.05029 -0.38601 3.77951
358 8PZ 0.13763 -0.07946 1.84747 2.66266 -4.61186
359 9PX -0.18725 0.46690 -0.66786 1.73549 -1.99463
360 9PY 0.46690 0.35187 0.38559 0.00934 1.73549
361 9PZ -0.33647 0.19426 -0.11950 -0.05105 0.08842
362 10D 0 -0.00058 0.00033 -0.01634 0.00655 -0.01134
363 10D+1 -0.00372 0.00171 0.00514 -0.00565 0.01751
364 10D-1 0.00171 -0.00175 -0.00297 0.01099 -0.00565
365 10D+2 0.00456 -0.00208 0.00817 -0.01506 -0.00152
366 10D-2 -0.00734 0.00456 -0.01415 -0.00152 -0.01331
367 11D 0 0.06410 -0.03701 0.20058 -0.24883 0.43099
368 11D+1 0.04765 -0.05449 0.03361 0.18936 -0.39883
369 11D-1 -0.05449 -0.01527 -0.01940 -0.18017 0.18936
370 11D+2 -0.00895 -0.01101 -0.06894 0.43025 -0.17506
371 11D-2 -0.00068 -0.00895 0.11942 -0.17506 0.63239
372 12D 0 -0.52879 0.30530 -0.28902 -0.51932 0.89949
373 12D+1 0.22447 0.14362 -0.21610 -0.55703 -0.00821
374 12D-1 0.14362 0.39031 0.12476 -0.65141 -0.55703
375 12D+2 -0.24797 0.09738 -0.20210 0.67748 -0.06448
376 12D-2 0.38372 -0.24797 0.35005 -0.06448 0.75194
377 13F 0 0.01349 -0.00779 0.01856 -0.00796 0.01378
378 13F+1 0.00820 0.00071 -0.00185 -0.00530 0.01312
379 13F-1 0.00071 0.00902 0.00107 0.00699 -0.00530
380 13F+2 -0.00628 -0.00335 0.00097 0.01205 -0.01726
381 13F-2 0.00390 -0.00628 -0.00167 -0.01726 0.03198
382 13F+3 0.00800 0.01386 0.00000 0.02438 0.01407
383 13F-3 -0.03886 0.02244 0.00038 -0.02536 0.04392
384 14F 0 -0.18882 0.10901 -0.62852 0.07270 -0.12593
385 14F+1 -0.11821 -0.22696 0.25143 -0.65878 0.56240
386 14F-1 -0.22696 -0.38029 -0.14516 -0.19829 -0.65878
387 14F+2 0.11162 0.02575 -0.31234 -0.07112 0.15840
388 14F-2 -0.10314 0.11162 0.54099 0.15840 -0.25402
389 14F+3 -0.07433 -0.12874 0.00000 0.16169 0.09335
390 14F-3 0.80205 -0.46306 0.04807 0.10908 -0.18894
391 8 H 1S -0.00099 -0.00057 -0.03006 -0.00877 -0.01520
392 2S 0.33154 0.19141 0.85651 -0.12679 -0.21961
393 3S -2.00406 -1.15704 5.06797 5.54829 9.60993
394 4S 1.39555 0.80572 -2.61312 6.71027 11.62253
395 5S 0.13383 0.07727 -0.28915 0.54225 0.93920
396 6PX 0.00607 0.00179 0.00654 0.01402 0.02630
397 6PY 0.00179 0.00401 0.00378 0.01011 0.01402
398 6PZ 0.02739 0.01581 -0.01641 0.00197 0.00341
399 7PX -0.04946 -0.02295 -0.36994 -0.07409 -0.23056
400 7PY -0.02295 -0.02296 -0.21359 -0.14501 -0.07409
401 7PZ -0.23865 -0.13779 0.28038 -0.02724 -0.04718
402 8PX 1.41288 1.42440 0.08710 -3.77951 -4.75022
403 8PY 1.42440 -0.23187 0.05029 -0.38601 -3.77951
404 8PZ -0.13763 -0.07946 1.84747 2.66266 4.61186
405 9PX -0.18725 -0.46690 0.66786 -1.73549 -1.99463
406 9PY -0.46690 0.35187 0.38559 0.00934 -1.73549
407 9PZ 0.33647 0.19426 -0.11950 -0.05105 -0.08842
408 10D 0 0.00058 0.00033 -0.01634 0.00655 0.01134
409 10D+1 -0.00372 -0.00171 -0.00514 0.00565 0.01751
410 10D-1 -0.00171 -0.00175 -0.00297 0.01099 0.00565
411 10D+2 -0.00456 -0.00208 0.00817 -0.01506 0.00152
412 10D-2 -0.00734 -0.00456 0.01415 0.00152 -0.01331
413 11D 0 -0.06410 -0.03701 0.20058 -0.24883 -0.43099
414 11D+1 0.04765 0.05449 -0.03361 -0.18936 -0.39883
415 11D-1 0.05449 -0.01527 -0.01940 -0.18017 -0.18936
416 11D+2 0.00895 -0.01101 -0.06894 0.43025 0.17506
417 11D-2 -0.00068 0.00895 -0.11942 0.17506 0.63239
418 12D 0 0.52879 0.30530 -0.28902 -0.51932 -0.89949
419 12D+1 0.22447 -0.14362 0.21610 0.55703 -0.00821
420 12D-1 -0.14362 0.39031 0.12476 -0.65141 0.55703
421 12D+2 0.24797 0.09738 -0.20210 0.67748 0.06448
422 12D-2 0.38372 0.24797 -0.35005 0.06448 0.75194
423 13F 0 -0.01349 -0.00779 0.01856 -0.00796 -0.01378
424 13F+1 0.00820 -0.00071 0.00185 0.00530 0.01312
425 13F-1 -0.00071 0.00902 0.00107 0.00699 0.00530
426 13F+2 0.00628 -0.00335 0.00097 0.01205 0.01726
427 13F-2 0.00390 0.00628 0.00167 0.01726 0.03198
428 13F+3 0.00800 -0.01386 0.00000 -0.02438 0.01407
429 13F-3 0.03886 0.02244 0.00038 -0.02536 -0.04392
430 14F 0 0.18882 0.10901 -0.62852 0.07270 0.12593
431 14F+1 -0.11821 0.22696 -0.25143 0.65878 0.56240
432 14F-1 0.22696 -0.38029 -0.14516 -0.19829 0.65878
433 14F+2 -0.11162 0.02575 -0.31234 -0.07112 -0.15840
434 14F-2 -0.10314 -0.11162 -0.54099 -0.15840 -0.25402
435 14F+3 -0.07433 0.12874 0.00000 -0.16169 0.09335
436 14F-3 -0.80205 -0.46306 0.04807 0.10908 0.18894
206 207 208 209 210
(EG)--V (EG)--V (A2G)--V (EU)--V (EU)--V
Eigenvalues -- 2.82581 2.82581 2.84251 2.85662 2.85662
1 1 C 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 7PX -0.04874 0.00000 0.00000 0.00000 -0.13359
8 7PY 0.00000 0.04874 0.00000 0.13359 0.00000
9 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
10 8PX -0.33972 0.00000 0.00000 0.00000 0.00857
11 8PY 0.00000 0.33972 0.00000 -0.00857 0.00000
12 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
13 9PX 10.58681 0.00000 0.00000 0.00000 15.11468
14 9PY 0.00000 -10.58681 0.00000 -15.11468 0.00000
15 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
16 10PX 3.66801 0.00000 0.00000 0.00000 5.03425
17 10PY 0.00000 -3.66801 0.00000 -5.03425 0.00000
18 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000
19 11PX 0.00980 0.00000 0.00000 0.00000 -0.44289
20 11PY 0.00000 -0.00980 0.00000 0.44289 0.00000
21 11PZ 0.00000 0.00000 0.00000 0.00000 0.00000
22 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000
23 12D+1 -0.02373 0.00000 0.00000 0.00000 -0.01429
24 12D-1 0.00000 0.02373 0.00000 0.01429 0.00000
25 12D+2 0.00000 -0.00640 0.00000 0.00714 0.00000
26 12D-2 0.00640 0.00000 0.00000 0.00000 -0.00714
27 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000
28 13D+1 0.49596 0.00000 0.00000 0.00000 1.05214
29 13D-1 0.00000 -0.49596 0.00000 -1.05214 0.00000
30 13D+2 0.00000 0.57278 0.00000 0.77228 0.00000
31 13D-2 -0.57278 0.00000 0.00000 0.00000 -0.77228
32 14D 0 0.00000 0.00000 0.00000 0.00000 0.00000
33 14D+1 -1.59092 0.00000 0.00000 0.00000 3.34225
34 14D-1 0.00000 1.59092 0.00000 -3.34225 0.00000
35 14D+2 0.00000 3.18844 0.00000 10.42983 0.00000
36 14D-2 -3.18844 0.00000 0.00000 0.00000 -10.42983
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357 8PY 1.58287 0.93552 4.02907 -4.29068 -3.27049
358 8PZ -4.74542 -2.73977 0.00000 2.22821 3.85937
359 9PX -0.84491 -0.98088 0.16596 0.60583 2.91332
360 9PY 0.98088 -0.28771 0.28745 -2.21377 -0.60583
361 9PZ -0.87303 -0.50405 0.00000 -0.52301 -0.90588
362 10D 0 0.02307 0.01332 0.00000 0.00027 0.00047
363 10D+1 -0.00619 0.00720 0.01043 0.00560 -0.01462
364 10D-1 -0.00720 0.01451 0.01806 0.02109 -0.00560
365 10D+2 -0.00112 0.00168 -0.00300 0.00317 -0.01880
366 10D-2 -0.00039 0.00112 -0.00173 0.01880 0.01854
367 11D 0 -0.37896 -0.21879 0.00000 -0.11274 -0.19527
368 11D+1 -0.42021 -0.37570 -0.02462 0.08517 0.46028
369 11D-1 0.37570 -0.01362 -0.04264 -0.36194 -0.08517
370 11D+2 0.03073 -0.26582 0.51414 0.09987 0.42689
371 11D-2 0.23033 -0.03073 0.29684 -0.42689 -0.59279
372 12D 0 -0.51240 -0.29584 0.00000 -0.51467 -0.89143
373 12D+1 0.12673 -0.37793 -0.02730 -0.66685 0.48949
374 12D-1 0.37793 -0.56313 -0.04729 -1.25950 0.66685
375 12D+2 0.09396 0.02992 -0.32777 -0.10442 0.52149
376 12D-2 -0.13842 -0.09396 -0.18924 -0.52149 -0.49774
377 13F 0 0.03192 0.01843 0.00000 -0.01989 -0.03445
378 13F+1 -0.02509 -0.00762 -0.00353 -0.00568 -0.00108
379 13F-1 0.00762 0.01630 -0.00611 -0.00547 0.00568
380 13F+2 -0.02579 -0.01111 0.04119 0.01110 0.02194
381 13F-2 0.04089 0.02579 0.02378 -0.02194 -0.03644
382 13F+3 0.02057 -0.03563 0.05365 0.00561 -0.00324
383 13F-3 0.00807 0.00466 0.00000 -0.02625 -0.04546
384 14F 0 -0.59300 -0.34237 0.00000 0.08834 0.15301
385 14F+1 -0.00347 -0.12913 -0.09266 -0.21805 -0.05282
386 14F-1 0.12913 -0.14563 -0.16049 -0.19896 0.21805
387 14F+2 0.51675 -0.31006 -0.55682 -0.19727 -0.11903
388 14F-2 -0.28663 -0.51675 -0.32148 0.11903 0.33472
389 14F+3 0.01099 -0.01904 -0.41095 0.24426 -0.14102
390 14F-3 -0.18610 -0.10744 0.00000 0.10594 0.18349
391 8 H 1S -0.01331 0.00768 0.00000 0.00084 -0.00145
392 2S -0.63283 0.36536 0.00000 -0.52776 0.91411
393 3S 9.38144 -5.41638 0.00000 10.70875 -18.54810
394 4S 6.78729 -3.91864 0.00000 6.40317 -11.09061
395 5S 0.29438 -0.16996 0.00000 -0.10289 0.17822
396 6PX 0.00483 -0.01160 -0.00952 0.00385 -0.01423
397 6PY 0.01160 0.00856 0.01649 0.00978 -0.00385
398 6PZ -0.02869 0.01657 0.00000 -0.00328 0.00569
399 7PX -0.09314 0.09995 0.11387 0.06469 -0.02550
400 7PY -0.09995 -0.02227 -0.19723 -0.04919 -0.06469
401 7PZ 0.22865 -0.13201 0.00000 -0.02179 0.03774
402 8PX -2.76326 1.58287 2.32619 -3.27049 8.06711
403 8PY -1.58287 0.93552 -4.02907 -4.29068 3.27049
404 8PZ 4.74542 -2.73977 0.00000 2.22821 -3.85937
405 9PX -0.84491 0.98088 0.16596 -0.60583 2.91332
406 9PY -0.98088 -0.28771 -0.28745 -2.21377 0.60583
407 9PZ 0.87303 -0.50405 0.00000 -0.52301 0.90588
408 10D 0 -0.02307 0.01332 0.00000 0.00027 -0.00047
409 10D+1 -0.00619 -0.00720 0.01043 -0.00560 -0.01462
410 10D-1 0.00720 0.01451 -0.01806 0.02109 0.00560
411 10D+2 0.00112 0.00168 0.00300 0.00317 0.01880
412 10D-2 -0.00039 -0.00112 -0.00173 -0.01880 0.01854
413 11D 0 0.37896 -0.21879 0.00000 -0.11274 0.19527
414 11D+1 -0.42021 0.37570 -0.02462 -0.08517 0.46028
415 11D-1 -0.37570 -0.01362 0.04264 -0.36194 0.08517
416 11D+2 -0.03073 -0.26582 -0.51414 0.09987 -0.42689
417 11D-2 0.23033 0.03073 0.29684 0.42689 -0.59279
418 12D 0 0.51240 -0.29584 0.00000 -0.51467 0.89143
419 12D+1 0.12673 0.37793 -0.02730 0.66685 0.48949
420 12D-1 -0.37793 -0.56313 0.04729 -1.25950 -0.66685
421 12D+2 -0.09396 0.02992 0.32777 -0.10442 -0.52149
422 12D-2 -0.13842 0.09396 -0.18924 0.52149 -0.49774
423 13F 0 -0.03192 0.01843 0.00000 -0.01989 0.03445
424 13F+1 -0.02509 0.00762 -0.00353 0.00568 -0.00108
425 13F-1 -0.00762 0.01630 0.00611 -0.00547 -0.00568
426 13F+2 0.02579 -0.01111 -0.04119 0.01110 -0.02194
427 13F-2 0.04089 -0.02579 0.02378 0.02194 -0.03644
428 13F+3 0.02057 0.03563 0.05365 -0.00561 -0.00324
429 13F-3 -0.00807 0.00466 0.00000 -0.02625 0.04546
430 14F 0 0.59300 -0.34237 0.00000 0.08834 -0.15301
431 14F+1 -0.00347 0.12913 -0.09266 0.21805 -0.05282
432 14F-1 -0.12913 -0.14563 0.16049 -0.19896 -0.21805
433 14F+2 -0.51675 -0.31006 0.55682 -0.19727 0.11903
434 14F-2 -0.28663 0.51675 -0.32148 -0.11903 0.33472
435 14F+3 0.01099 0.01904 -0.41095 -0.24426 -0.14102
436 14F-3 0.18610 -0.10744 0.00000 0.10594 -0.18349
211 212 213 214 215
(EG)--V (EG)--V (A2U)--V (A1U)--V (A1G)--V
Eigenvalues -- 2.89322 2.89322 2.90149 2.93170 2.94631
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2 2S 0.00000 0.00000 -0.09992 0.00000 -0.11455
3 3S 0.00000 0.00000 -0.81199 0.00000 -1.87584
4 4S 0.00000 0.00000 2.78219 0.00000 23.88585
5 5S 0.00000 0.00000 37.43228 0.00000 5.22036
6 6S 0.00000 0.00000 -2.51511 0.00000 0.30262
7 7PX 0.03721 0.00000 0.00000 0.00000 0.00000
8 7PY 0.00000 0.03721 0.00000 0.00000 0.00000
9 7PZ 0.00000 0.00000 0.02786 0.00000 -0.01206
10 8PX -0.76076 0.00000 0.00000 0.00000 0.00000
11 8PY 0.00000 -0.76076 0.00000 0.00000 0.00000
12 8PZ 0.00000 0.00000 -0.22140 0.00000 0.09933
13 9PX 6.91669 0.00000 0.00000 0.00000 0.00000
14 9PY 0.00000 6.91669 0.00000 0.00000 0.00000
15 9PZ 0.00000 0.00000 19.93058 0.00000 2.71763
16 10PX 2.58102 0.00000 0.00000 0.00000 0.00000
17 10PY 0.00000 2.58102 0.00000 0.00000 0.00000
18 10PZ 0.00000 0.00000 -7.51815 0.00000 0.65858
19 11PX 0.74148 0.00000 0.00000 0.00000 0.00000
20 11PY 0.00000 0.74148 0.00000 0.00000 0.00000
21 11PZ 0.00000 0.00000 0.59020 0.00000 0.05656
22 12D 0 0.00000 0.00000 0.02637 0.00000 0.01420
23 12D+1 -0.05232 0.00000 0.00000 0.00000 0.00000
24 12D-1 0.00000 -0.05232 0.00000 0.00000 0.00000
25 12D+2 0.00000 0.01114 0.00000 0.00000 0.00000
26 12D-2 0.01114 0.00000 0.00000 0.00000 0.00000
27 13D 0 0.00000 0.00000 -0.18569 0.00000 -0.38056
28 13D+1 0.07889 0.00000 0.00000 0.00000 0.00000
29 13D-1 0.00000 0.07889 0.00000 0.00000 0.00000
30 13D+2 0.00000 0.43068 0.00000 0.00000 0.00000
31 13D-2 0.43068 0.00000 0.00000 0.00000 0.00000
32 14D 0 0.00000 0.00000 -18.09438 0.00000 -1.23996
33 14D+1 -3.11312 0.00000 0.00000 0.00000 0.00000
34 14D-1 0.00000 -3.11312 0.00000 0.00000 0.00000
35 14D+2 0.00000 -1.61314 0.00000 0.00000 0.00000
36 14D-2 -1.61314 0.00000 0.00000 0.00000 0.00000
37 15D 0 0.00000 0.00000 -0.22022 0.00000 -0.52552
38 15D+1 -0.18671 0.00000 0.00000 0.00000 0.00000
39 15D-1 0.00000 -0.18671 0.00000 0.00000 0.00000
40 15D+2 0.00000 -1.01711 0.00000 0.00000 0.00000
41 15D-2 -1.01711 0.00000 0.00000 0.00000 0.00000
42 16F 0 0.00000 0.00000 -0.03480 0.00000 -0.09792
43 16F+1 -0.04362 0.00000 0.00000 0.00000 0.00000
44 16F-1 0.00000 -0.04362 0.00000 0.00000 0.00000
45 16F+2 0.00000 0.02947 0.00000 0.00000 0.00000
46 16F-2 0.02947 0.00000 0.00000 0.00000 0.00000
47 16F+3 0.00000 0.00000 0.00000 -0.03911 0.00000
48 16F-3 0.00000 0.00000 -0.01551 0.00000 -0.10030
49 17F 0 0.00000 0.00000 0.35147 0.00000 0.48087
50 17F+1 1.91403 0.00000 0.00000 0.00000 0.00000
51 17F-1 0.00000 1.91403 0.00000 0.00000 0.00000
52 17F+2 0.00000 -1.07473 0.00000 0.00000 0.00000
53 17F-2 -1.07473 0.00000 0.00000 0.00000 0.00000
54 17F+3 0.00000 0.00000 0.00000 2.45685 0.00000
55 17F-3 0.00000 0.00000 -0.75525 0.00000 0.12999
56 18F 0 0.00000 0.00000 5.25128 0.00000 1.14625
57 18F+1 -1.40667 0.00000 0.00000 0.00000 0.00000
58 18F-1 0.00000 -1.40667 0.00000 0.00000 0.00000
59 18F+2 0.00000 2.52968 0.00000 0.00000 0.00000
60 18F-2 2.52968 0.00000 0.00000 0.00000 0.00000
61 18F+3 0.00000 0.00000 0.00000 5.40901 0.00000
62 18F-3 0.00000 0.00000 -4.53607 0.00000 1.06235
63 19G 0 0.00000 0.00000 -0.06413 0.00000 0.06712
64 19G+1 -0.01572 0.00000 0.00000 0.00000 0.00000
65 19G-1 0.00000 -0.01572 0.00000 0.00000 0.00000
66 19G+2 0.00000 -0.05925 0.00000 0.00000 0.00000
67 19G-2 -0.05925 0.00000 0.00000 0.00000 0.00000
68 19G+3 0.00000 0.00000 0.00000 0.08723 0.00000
69 19G-3 0.00000 0.00000 -0.02686 0.00000 -0.09143
70 19G+4 0.00000 0.03610 0.00000 0.00000 0.00000
71 19G-4 -0.03610 0.00000 0.00000 0.00000 0.00000
72 20G 0 0.00000 0.00000 0.65796 0.00000 -0.47545
73 20G+1 -1.57005 0.00000 0.00000 0.00000 0.00000
74 20G-1 0.00000 -1.57005 0.00000 0.00000 0.00000
75 20G+2 0.00000 -0.51609 0.00000 0.00000 0.00000
76 20G-2 -0.51609 0.00000 0.00000 0.00000 0.00000
77 20G+3 0.00000 0.00000 0.00000 1.35520 0.00000
78 20G-3 0.00000 0.00000 -0.02722 0.00000 1.60895
79 20G+4 0.00000 -0.33824 0.00000 0.00000 0.00000
80 20G-4 0.33824 0.00000 0.00000 0.00000 0.00000
81 2 C 1S 0.00000 0.00000 -0.04981 0.00000 0.07355
82 2S 0.00000 0.00000 0.09992 0.00000 -0.11455
83 3S 0.00000 0.00000 0.81199 0.00000 -1.87584
84 4S 0.00000 0.00000 -2.78219 0.00000 23.88585
85 5S 0.00000 0.00000 -37.43228 0.00000 5.22036
86 6S 0.00000 0.00000 2.51511 0.00000 0.30262
87 7PX -0.03721 0.00000 0.00000 0.00000 0.00000
88 7PY 0.00000 -0.03721 0.00000 0.00000 0.00000
89 7PZ 0.00000 0.00000 0.02786 0.00000 0.01206
90 8PX 0.76076 0.00000 0.00000 0.00000 0.00000
91 8PY 0.00000 0.76076 0.00000 0.00000 0.00000
92 8PZ 0.00000 0.00000 -0.22140 0.00000 -0.09933
93 9PX -6.91669 0.00000 0.00000 0.00000 0.00000
94 9PY 0.00000 -6.91669 0.00000 0.00000 0.00000
95 9PZ 0.00000 0.00000 19.93058 0.00000 -2.71763
96 10PX -2.58102 0.00000 0.00000 0.00000 0.00000
97 10PY 0.00000 -2.58102 0.00000 0.00000 0.00000
98 10PZ 0.00000 0.00000 -7.51815 0.00000 -0.65858
99 11PX -0.74148 0.00000 0.00000 0.00000 0.00000
100 11PY 0.00000 -0.74148 0.00000 0.00000 0.00000
101 11PZ 0.00000 0.00000 0.59020 0.00000 -0.05656
102 12D 0 0.00000 0.00000 -0.02637 0.00000 0.01420
103 12D+1 -0.05232 0.00000 0.00000 0.00000 0.00000
104 12D-1 0.00000 -0.05232 0.00000 0.00000 0.00000
105 12D+2 0.00000 0.01114 0.00000 0.00000 0.00000
106 12D-2 0.01114 0.00000 0.00000 0.00000 0.00000
107 13D 0 0.00000 0.00000 0.18569 0.00000 -0.38056
108 13D+1 0.07889 0.00000 0.00000 0.00000 0.00000
109 13D-1 0.00000 0.07889 0.00000 0.00000 0.00000
110 13D+2 0.00000 0.43068 0.00000 0.00000 0.00000
111 13D-2 0.43068 0.00000 0.00000 0.00000 0.00000
112 14D 0 0.00000 0.00000 18.09438 0.00000 -1.23996
113 14D+1 -3.11312 0.00000 0.00000 0.00000 0.00000
114 14D-1 0.00000 -3.11312 0.00000 0.00000 0.00000
115 14D+2 0.00000 -1.61314 0.00000 0.00000 0.00000
116 14D-2 -1.61314 0.00000 0.00000 0.00000 0.00000
117 15D 0 0.00000 0.00000 0.22022 0.00000 -0.52552
118 15D+1 -0.18671 0.00000 0.00000 0.00000 0.00000
119 15D-1 0.00000 -0.18671 0.00000 0.00000 0.00000
120 15D+2 0.00000 -1.01711 0.00000 0.00000 0.00000
121 15D-2 -1.01711 0.00000 0.00000 0.00000 0.00000
122 16F 0 0.00000 0.00000 -0.03480 0.00000 0.09792
123 16F+1 0.04362 0.00000 0.00000 0.00000 0.00000
124 16F-1 0.00000 0.04362 0.00000 0.00000 0.00000
125 16F+2 0.00000 -0.02947 0.00000 0.00000 0.00000
126 16F-2 -0.02947 0.00000 0.00000 0.00000 0.00000
127 16F+3 0.00000 0.00000 0.00000 -0.03911 0.00000
128 16F-3 0.00000 0.00000 -0.01551 0.00000 0.10030
129 17F 0 0.00000 0.00000 0.35147 0.00000 -0.48087
130 17F+1 -1.91403 0.00000 0.00000 0.00000 0.00000
131 17F-1 0.00000 -1.91403 0.00000 0.00000 0.00000
132 17F+2 0.00000 1.07473 0.00000 0.00000 0.00000
133 17F-2 1.07473 0.00000 0.00000 0.00000 0.00000
134 17F+3 0.00000 0.00000 0.00000 2.45685 0.00000
135 17F-3 0.00000 0.00000 -0.75525 0.00000 -0.12999
136 18F 0 0.00000 0.00000 5.25128 0.00000 -1.14625
137 18F+1 1.40667 0.00000 0.00000 0.00000 0.00000
138 18F-1 0.00000 1.40667 0.00000 0.00000 0.00000
139 18F+2 0.00000 -2.52968 0.00000 0.00000 0.00000
140 18F-2 -2.52968 0.00000 0.00000 0.00000 0.00000
141 18F+3 0.00000 0.00000 0.00000 5.40901 0.00000
142 18F-3 0.00000 0.00000 -4.53607 0.00000 -1.06235
143 19G 0 0.00000 0.00000 0.06413 0.00000 0.06712
144 19G+1 -0.01572 0.00000 0.00000 0.00000 0.00000
145 19G-1 0.00000 -0.01572 0.00000 0.00000 0.00000
146 19G+2 0.00000 -0.05925 0.00000 0.00000 0.00000
147 19G-2 -0.05925 0.00000 0.00000 0.00000 0.00000
148 19G+3 0.00000 0.00000 0.00000 -0.08723 0.00000
149 19G-3 0.00000 0.00000 0.02686 0.00000 -0.09143
150 19G+4 0.00000 0.03610 0.00000 0.00000 0.00000
151 19G-4 -0.03610 0.00000 0.00000 0.00000 0.00000
152 20G 0 0.00000 0.00000 -0.65796 0.00000 -0.47545
153 20G+1 -1.57005 0.00000 0.00000 0.00000 0.00000
154 20G-1 0.00000 -1.57005 0.00000 0.00000 0.00000
155 20G+2 0.00000 -0.51609 0.00000 0.00000 0.00000
156 20G-2 -0.51609 0.00000 0.00000 0.00000 0.00000
157 20G+3 0.00000 0.00000 0.00000 -1.35520 0.00000
158 20G-3 0.00000 0.00000 0.02722 0.00000 1.60895
159 20G+4 0.00000 -0.33824 0.00000 0.00000 0.00000
160 20G-4 0.33824 0.00000 0.00000 0.00000 0.00000
161 3 H 1S 0.00000 0.02723 0.00997 0.00000 -0.01209
162 2S 0.00000 -0.81970 -0.11767 0.00000 1.27178
163 3S 0.00000 -3.49410 -16.12336 0.00000 -5.94936
164 4S 0.00000 0.09600 -2.47315 0.00000 -2.16775
165 5S 0.00000 -0.24201 -0.22334 0.00000 -0.08917
166 6PX -0.01837 0.00000 0.00000 -0.02819 0.00000
167 6PY 0.00000 -0.05585 -0.02229 0.00000 -0.03027
168 6PZ 0.00000 0.04027 0.00969 0.00000 -0.00942
169 7PX 0.23913 0.00000 0.00000 0.29379 0.00000
170 7PY 0.00000 0.86627 0.23934 0.00000 -0.07743
171 7PZ 0.00000 -0.20395 -0.03709 0.00000 -0.05183
172 8PX -0.13764 0.00000 0.00000 5.23702 0.00000
173 8PY 0.00000 0.23168 2.93037 0.00000 4.64589
174 8PZ 0.00000 1.35673 6.69418 0.00000 2.20648
175 9PX 0.40169 0.00000 0.00000 0.14047 0.00000
176 9PY 0.00000 -0.77199 0.82872 0.00000 0.96235
177 9PZ 0.00000 -1.01819 1.03498 0.00000 0.72658
178 10D 0 0.00000 -0.00657 -0.02119 0.00000 -0.00592
179 10D+1 -0.00516 0.00000 0.00000 0.00227 0.00000
180 10D-1 0.00000 -0.03201 0.02075 0.00000 0.01886
181 10D+2 0.00000 0.00957 0.00849 0.00000 -0.02119
182 10D-2 -0.00467 0.00000 0.00000 0.01138 0.00000
183 11D 0 0.00000 0.55085 0.25810 0.00000 0.16734
184 11D+1 0.04973 0.00000 0.00000 -0.24708 0.00000
185 11D-1 0.00000 0.66705 -0.40617 0.00000 -0.50751
186 11D+2 0.00000 0.13330 0.09242 0.00000 0.50464
187 11D-2 -0.03364 0.00000 0.00000 -0.81525 0.00000
188 12D 0 0.00000 0.90815 0.11251 0.00000 0.07122
189 12D+1 -0.53220 0.00000 0.00000 -0.71197 0.00000
190 12D-1 0.00000 1.67091 -0.01407 0.00000 -0.69841
191 12D+2 0.00000 0.26469 1.05707 0.00000 0.57975
192 12D-2 0.32308 0.00000 0.00000 0.74248 0.00000
193 13F 0 0.00000 -0.00160 -0.00104 0.00000 -0.01731
194 13F+1 -0.02381 0.00000 0.00000 -0.01325 0.00000
195 13F-1 0.00000 -0.02832 0.01727 0.00000 -0.00792
196 13F+2 0.00000 0.02975 -0.01862 0.00000 -0.03438
197 13F-2 -0.00322 0.00000 0.00000 0.06257 0.00000
198 13F+3 0.00549 0.00000 0.00000 -0.06045 0.00000
199 13F-3 0.00000 0.02388 -0.01238 0.00000 -0.01952
200 14F 0 0.00000 0.52232 -0.33953 0.00000 0.09253
201 14F+1 0.82810 0.00000 0.00000 0.26481 0.00000
202 14F-1 0.00000 -1.05856 -0.69652 0.00000 0.09042
203 14F+2 0.00000 0.46091 0.50115 0.00000 -0.15734
204 14F-2 -0.49383 0.00000 0.00000 -0.72460 0.00000
205 14F+3 -0.02536 0.00000 0.00000 0.35032 0.00000
206 14F-3 0.00000 -0.30580 -0.22458 0.00000 0.04511
207 4 H 1S -0.02358 -0.01362 0.00997 0.00000 -0.01209
208 2S 0.70988 0.40985 -0.11767 0.00000 1.27178
209 3S 3.02598 1.74705 -16.12336 0.00000 -5.94936
210 4S -0.08314 -0.04800 -2.47315 0.00000 -2.16775
211 5S 0.20959 0.12100 -0.22334 0.00000 -0.08917
212 6PX -0.04648 -0.01623 0.01931 0.01410 0.02622
213 6PY -0.01623 -0.02774 0.01115 -0.02441 0.01514
214 6PZ -0.03487 -0.02013 0.00969 0.00000 -0.00942
215 7PX 0.70949 0.27156 -0.20728 -0.14689 0.06706
216 7PY 0.27156 0.39592 -0.11967 0.25443 0.03872
217 7PZ 0.17663 0.10198 -0.03709 0.00000 -0.05183
218 8PX 0.13935 0.15992 -2.53777 -2.61851 -4.02346
219 8PY 0.15992 -0.04531 -1.46518 4.53539 -2.32295
220 8PZ -1.17496 -0.67836 6.69418 0.00000 2.20648
221 9PX -0.47857 -0.50822 -0.71769 -0.07023 -0.83342
222 9PY -0.50822 0.10827 -0.41436 0.12165 -0.48118
223 9PZ 0.88178 0.50910 1.03498 0.00000 0.72658
224 10D 0 0.00569 0.00329 -0.02119 0.00000 -0.00592
225 10D+1 -0.02529 -0.01162 -0.01797 -0.00114 -0.01633
226 10D-1 -0.01162 -0.01187 -0.01038 0.00197 -0.00943
227 10D+2 0.00617 -0.00111 -0.00424 0.00986 0.01060
228 10D-2 0.00601 0.00617 -0.00735 -0.00569 0.01836
229 11D 0 -0.47705 -0.27543 0.25810 0.00000 0.16734
230 11D+1 0.51272 0.26731 0.35175 0.12354 0.43951
231 11D-1 0.26731 0.20406 0.20308 -0.21398 0.25375
232 11D+2 0.07229 0.00810 -0.04621 -0.70602 -0.25232
233 11D-2 0.09157 0.07229 -0.08004 0.40762 -0.43703
234 12D 0 -0.78648 -0.45407 0.11251 0.00000 0.07122
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427 13F-2 -0.02151 -0.01427 0.01613 -0.03128 -0.02978
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436 14F-3 -0.26483 -0.15290 -0.22458 0.00000 -0.04511
216 217 218 219 220
(EU)--V (EU)--V (A2G)--V (EG)--V (EG)--V
Eigenvalues -- 2.99210 2.99210 3.01863 3.03984 3.03984
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421 12D+2 -0.22311 0.24497 0.35620 0.53657 0.77013
422 12D-2 -0.50260 0.22311 -0.20565 -0.15056 -0.53657
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426 13F+2 0.01290 -0.01383 -0.01778 0.00171 0.00885
427 13F-2 0.02873 -0.01290 0.01026 -0.00687 -0.00171
428 13F+3 0.00946 0.01639 0.06275 -0.01882 -0.03259
429 13F-3 0.03076 -0.01776 0.00000 -0.02987 0.01724
430 14F 0 -0.12765 0.07370 0.00000 -0.21294 0.12294
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432 14F-1 0.41035 -0.00687 -0.19322 -0.34697 -0.26710
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434 14F-2 -0.15108 -0.08102 0.17948 -0.13683 0.39076
435 14F+3 -0.10110 -0.17511 -0.35675 0.24201 0.41918
436 14F-3 0.04929 -0.02846 0.00000 0.30111 -0.17385
221 222 223 224 225
(EU)--V (EU)--V (A1G)--V (EG)--V (EG)--V
Eigenvalues -- 3.07391 3.07391 3.09519 3.20055 3.20055
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55 17F-3 0.00000 0.00000 1.23571 0.00000 0.00000
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58 18F-1 0.00000 -1.37678 0.00000 0.36175 0.00000
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60 18F-2 -8.13446 0.00000 0.00000 0.00000 1.44316
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67 19G-2 0.01921 0.00000 0.00000 0.00000 0.04050
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80 20G-4 0.58929 0.00000 0.00000 0.00000 0.53761
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127 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000
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436 14F-3 0.57020 -0.32921 -0.33751 0.40038 0.69348
226 227 228 229 230
(A1G)--V (EU)--V (EU)--V (A2U)--V (EG)--V
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187 11D-2 0.00000 -0.88160 0.00000 0.00000 0.37913
188 12D 0 -0.79776 0.00000 0.71512 1.13835 0.00000
189 12D+1 0.00000 0.92495 0.00000 0.00000 0.78441
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192 12D-2 0.00000 -1.85870 0.00000 0.00000 0.26455
193 13F 0 -0.01795 0.00000 0.02507 0.03269 0.00000
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195 13F-1 -0.00195 0.00000 -0.00994 0.02337 0.00000
196 13F+2 -0.03952 0.00000 0.01319 0.02285 0.00000
197 13F-2 0.00000 0.03521 0.00000 0.00000 -0.02010
198 13F+3 0.00000 -0.04370 0.00000 0.00000 -0.00366
199 13F-3 -0.02288 0.00000 0.01146 0.02861 0.00000
200 14F 0 0.11890 0.00000 -0.12835 -0.37597 0.00000
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202 14F-1 0.12019 0.00000 -0.22362 -0.48827 0.00000
203 14F+2 0.52522 0.00000 -0.17221 -0.47551 0.00000
204 14F-2 0.00000 -0.13950 0.00000 0.00000 0.28648
205 14F+3 0.00000 -0.15608 0.00000 0.00000 -0.52898
206 14F-3 -0.05432 0.00000 -0.31266 -0.06621 0.00000
207 4 H 1S -0.00199 -0.00846 0.00488 -0.00754 -0.02698
208 2S 1.56742 -0.68250 0.39404 -0.71239 0.43138
209 3S -5.68069 9.69823 -5.59927 1.90946 24.40591
210 4S -2.46024 9.11713 -5.26378 2.57530 5.75558
211 5S -0.09368 -0.09039 0.05219 0.06524 0.32438
212 6PX 0.02789 -0.01100 0.03008 -0.01346 0.01052
213 6PY 0.01610 -0.03008 -0.02373 -0.00777 -0.00325
214 6PZ -0.03222 -0.00989 0.00571 0.00823 -0.00319
215 7PX 0.01027 0.20272 -0.42541 0.01087 0.01542
216 7PY 0.00593 0.42541 0.28850 0.00627 0.11291
217 7PZ 0.20000 0.08424 -0.04864 -0.05238 -0.04696
218 8PX -1.32629 2.93276 1.95200 2.46064 6.95217
219 8PY -0.76574 -1.95200 -5.18674 1.42065 6.05580
220 8PZ 3.02972 -1.66949 0.96388 -2.75436 5.39329
221 9PX -0.38738 1.57105 0.78140 0.44348 0.74600
222 9PY -0.22366 -0.78140 -2.47334 0.25605 0.65504
223 9PZ 0.25620 -2.48659 1.43563 -1.62981 0.27116
224 10D 0 0.02259 -0.00865 0.00499 -0.02158 0.02491
225 10D+1 -0.00350 0.00724 0.00361 0.01603 -0.02987
226 10D-1 -0.00202 -0.00361 -0.01141 0.00925 -0.01564
227 10D+2 0.00610 -0.00638 -0.04279 -0.00245 -0.00229
228 10D-2 0.01056 0.03542 0.00638 -0.00425 -0.03059
229 11D 0 -0.34937 0.06238 -0.03601 0.20280 -0.36315
230 11D+1 0.28929 -0.31637 -0.00923 -0.44734 0.40742
231 11D-1 0.16702 0.00923 0.32702 -0.25827 0.11426
232 11D+2 -0.11711 0.30627 0.70478 0.15799 0.09599
233 11D-2 -0.20284 -0.35112 -0.30627 0.27364 0.54538
234 12D 0 -0.79776 0.61931 -0.35756 1.13835 0.03844
235 12D+1 -0.31034 0.14109 0.45256 -0.54094 0.54676
236 12D-1 -0.17917 -0.45256 -0.66366 -0.31231 -0.13721
237 12D+2 -0.22347 0.69499 1.45744 0.02998 -0.09155
238 12D-2 -0.38706 -0.65494 -0.69499 0.05193 0.10599
239 13F 0 -0.01795 0.02171 -0.01254 0.03269 0.01427
240 13F+1 0.00169 0.00843 -0.00263 -0.02024 -0.00667
241 13F-1 0.00098 0.00263 -0.00539 -0.01169 -0.00364
242 13F+2 0.01976 -0.02096 -0.02311 -0.01143 0.01043
243 13F-2 0.03422 -0.00109 0.02096 -0.01979 -0.00204
244 13F+3 0.00000 0.02185 0.03785 0.00000 0.00183
245 13F-3 -0.02288 0.00992 -0.00573 0.02861 0.01384
246 14F 0 0.11890 -0.11116 0.06418 -0.37597 -0.39049
247 14F+1 -0.10409 0.07188 -0.26283 0.42286 0.62923
248 14F-1 -0.06010 0.26283 0.23161 0.24414 0.76097
249 14F+2 -0.26261 0.13497 0.06157 0.23775 -0.17237
250 14F-2 -0.45485 0.09428 -0.13497 0.41180 -0.01207
251 14F+3 0.00000 0.07804 0.13517 0.00000 0.26449
252 14F-3 -0.05432 -0.27077 0.15633 -0.06621 -0.32910
253 5 H 1S -0.00199 0.00846 0.00488 -0.00754 0.02698
254 2S 1.56742 0.68250 0.39404 -0.71239 -0.43138
255 3S -5.68069 -9.69823 -5.59927 1.90946 -24.40591
256 4S -2.46024 -9.11713 -5.26378 2.57530 -5.75558
257 5S -0.09368 0.09039 0.05219 0.06524 -0.32438
258 6PX -0.02789 -0.01100 -0.03008 0.01346 0.01052
259 6PY 0.01610 0.03008 -0.02373 -0.00777 0.00325
260 6PZ -0.03222 0.00989 0.00571 0.00823 0.00319
261 7PX -0.01027 0.20272 0.42541 -0.01087 0.01542
262 7PY 0.00593 -0.42541 0.28850 0.00627 -0.11291
263 7PZ 0.20000 -0.08424 -0.04864 -0.05238 0.04696
264 8PX 1.32629 2.93276 -1.95200 -2.46064 6.95217
265 8PY -0.76574 1.95200 -5.18674 1.42065 -6.05580
266 8PZ 3.02972 1.66949 0.96388 -2.75436 -5.39329
267 9PX 0.38738 1.57105 -0.78140 -0.44348 0.74600
268 9PY -0.22366 0.78140 -2.47334 0.25605 -0.65504
269 9PZ 0.25620 2.48659 1.43563 -1.62981 -0.27116
270 10D 0 0.02259 0.00865 0.00499 -0.02158 -0.02491
271 10D+1 0.00350 0.00724 -0.00361 -0.01603 -0.02987
272 10D-1 -0.00202 0.00361 -0.01141 0.00925 0.01564
273 10D+2 0.00610 0.00638 -0.04279 -0.00245 0.00229
274 10D-2 -0.01056 0.03542 -0.00638 0.00425 -0.03059
275 11D 0 -0.34937 -0.06238 -0.03601 0.20280 0.36315
276 11D+1 -0.28929 -0.31637 0.00923 0.44734 0.40742
277 11D-1 0.16702 -0.00923 0.32702 -0.25827 -0.11426
278 11D+2 -0.11711 -0.30627 0.70478 0.15799 -0.09599
279 11D-2 0.20284 -0.35112 0.30627 -0.27364 0.54538
280 12D 0 -0.79776 -0.61931 -0.35756 1.13835 -0.03844
281 12D+1 0.31034 0.14109 -0.45256 0.54094 0.54676
282 12D-1 -0.17917 0.45256 -0.66366 -0.31231 0.13721
283 12D+2 -0.22347 -0.69499 1.45744 0.02998 0.09155
284 12D-2 0.38706 -0.65494 0.69499 -0.05193 0.10599
285 13F 0 -0.01795 -0.02171 -0.01254 0.03269 -0.01427
286 13F+1 -0.00169 0.00843 0.00263 0.02024 -0.00667
287 13F-1 0.00098 -0.00263 -0.00539 -0.01169 0.00364
288 13F+2 0.01976 0.02096 -0.02311 -0.01143 -0.01043
289 13F-2 -0.03422 -0.00109 -0.02096 0.01979 -0.00204
290 13F+3 0.00000 0.02185 -0.03785 0.00000 0.00183
291 13F-3 -0.02288 -0.00992 -0.00573 0.02861 -0.01384
292 14F 0 0.11890 0.11116 0.06418 -0.37597 0.39049
293 14F+1 0.10409 0.07188 0.26283 -0.42286 0.62923
294 14F-1 -0.06010 -0.26283 0.23161 0.24414 -0.76097
295 14F+2 -0.26261 -0.13497 0.06157 0.23775 0.17237
296 14F-2 0.45485 0.09428 0.13497 -0.41180 -0.01207
297 14F+3 0.00000 0.07804 -0.13517 0.00000 0.26449
298 14F-3 -0.05432 0.27077 0.15633 -0.06621 0.32910
299 6 H 1S -0.00199 0.00000 0.00977 0.00754 0.00000
300 2S 1.56742 0.00000 0.78808 0.71239 0.00000
301 3S -5.68069 0.00000 -11.19855 -1.90946 0.00000
302 4S -2.46024 0.00000 -10.52756 -2.57530 0.00000
303 5S -0.09368 0.00000 0.10438 -0.06524 0.00000
304 6PX 0.00000 0.04110 0.00000 0.00000 -0.01615
305 6PY 0.03221 0.00000 0.02837 0.01554 0.00000
306 6PZ 0.03222 0.00000 -0.01142 0.00823 0.00000
307 7PX 0.00000 -0.53411 0.00000 0.00000 0.18015
308 7PY 0.01186 0.00000 -0.44833 -0.01255 0.00000
309 7PZ -0.20000 0.00000 0.09727 -0.05238 0.00000
310 8PX 0.00000 6.31373 0.00000 0.00000 3.53679
311 8PY -1.53147 0.00000 -1.80577 -2.84130 0.00000
312 8PZ -3.02972 0.00000 -1.92776 -2.75436 0.00000
313 9PX 0.00000 2.92449 0.00000 0.00000 0.38855
314 9PY -0.44731 0.00000 -1.11991 -0.51209 0.00000
315 9PZ -0.25620 0.00000 -2.87127 -1.62981 0.00000
316 10D 0 0.02259 0.00000 0.00999 0.02158 0.00000
317 10D+1 0.00000 -0.01350 0.00000 0.00000 -0.00277
318 10D-1 0.00404 0.00000 0.00516 0.01850 0.00000
319 10D+2 -0.01219 0.00000 0.03173 -0.00491 0.00000
320 10D-2 0.00000 -0.04648 0.00000 0.00000 -0.02663
321 11D 0 -0.34937 0.00000 -0.07203 -0.20280 0.00000
322 11D+1 0.00000 0.33235 0.00000 0.00000 0.20951
323 11D-1 -0.33405 0.00000 -0.31104 -0.51655 0.00000
324 11D+2 0.23422 0.00000 -0.17430 0.31597 0.00000
325 11D-2 0.00000 0.88160 0.00000 0.00000 0.37913
326 12D 0 -0.79776 0.00000 -0.71512 -1.13835 0.00000
327 12D+1 0.00000 -0.92495 0.00000 0.00000 0.78441
328 12D-1 0.35834 0.00000 -0.12019 -0.62462 0.00000
329 12D+2 0.44694 0.00000 -0.25369 0.05996 0.00000
330 12D-2 0.00000 1.85870 0.00000 0.00000 0.26455
331 13F 0 0.01795 0.00000 0.02507 0.03269 0.00000
332 13F+1 0.00000 0.00388 0.00000 0.00000 0.00037
333 13F-1 0.00195 0.00000 -0.00994 0.02337 0.00000
334 13F+2 0.03952 0.00000 0.01319 0.02285 0.00000
335 13F-2 0.00000 0.03521 0.00000 0.00000 0.02010
336 13F+3 0.00000 -0.04370 0.00000 0.00000 0.00366
337 13F-3 0.02288 0.00000 0.01146 0.02861 0.00000
338 14F 0 -0.11890 0.00000 -0.12835 -0.37597 0.00000
339 14F+1 0.00000 -0.38336 0.00000 0.00000 0.68882
340 14F-1 -0.12019 0.00000 -0.22362 -0.48827 0.00000
341 14F+2 -0.52522 0.00000 -0.17221 -0.47551 0.00000
342 14F-2 0.00000 -0.13950 0.00000 0.00000 -0.28648
343 14F+3 0.00000 -0.15608 0.00000 0.00000 0.52898
344 14F-3 0.05432 0.00000 -0.31266 -0.06621 0.00000
345 7 H 1S -0.00199 -0.00846 -0.00488 0.00754 0.02698
346 2S 1.56742 -0.68250 -0.39404 0.71239 -0.43138
347 3S -5.68069 9.69823 5.59927 -1.90946 -24.40591
348 4S -2.46024 9.11713 5.26378 -2.57530 -5.75558
349 5S -0.09368 -0.09039 -0.05219 -0.06524 -0.32438
350 6PX 0.02789 -0.01100 -0.03008 0.01346 -0.01052
351 6PY -0.01610 0.03008 -0.02373 -0.00777 -0.00325
352 6PZ 0.03222 0.00989 0.00571 0.00823 -0.00319
353 7PX 0.01027 0.20272 0.42541 -0.01087 -0.01542
354 7PY -0.00593 -0.42541 0.28850 0.00627 0.11291
355 7PZ -0.20000 -0.08424 -0.04864 -0.05238 -0.04696
356 8PX -1.32629 2.93276 -1.95200 -2.46064 -6.95217
357 8PY 0.76574 1.95200 -5.18674 1.42065 6.05580
358 8PZ -3.02972 1.66949 0.96388 -2.75436 5.39329
359 9PX -0.38738 1.57105 -0.78140 -0.44348 -0.74600
360 9PY 0.22366 0.78140 -2.47334 0.25605 0.65504
361 9PZ -0.25620 2.48659 1.43563 -1.62981 0.27116
362 10D 0 0.02259 -0.00865 -0.00499 0.02158 -0.02491
363 10D+1 0.00350 -0.00724 0.00361 0.01603 -0.02987
364 10D-1 -0.00202 -0.00361 0.01141 -0.00925 0.01564
365 10D+2 0.00610 -0.00638 0.04279 0.00245 0.00229
366 10D-2 -0.01056 -0.03542 0.00638 -0.00425 -0.03059
367 11D 0 -0.34937 0.06238 0.03601 -0.20280 0.36315
368 11D+1 -0.28929 0.31637 -0.00923 -0.44734 0.40742
369 11D-1 0.16702 0.00923 -0.32702 0.25827 -0.11426
370 11D+2 -0.11711 0.30627 -0.70478 -0.15799 -0.09599
371 11D-2 0.20284 0.35112 -0.30627 0.27364 0.54538
372 12D 0 -0.79776 0.61931 0.35756 -1.13835 -0.03844
373 12D+1 0.31034 -0.14109 0.45256 -0.54094 0.54676
374 12D-1 -0.17917 -0.45256 0.66366 0.31231 0.13721
375 12D+2 -0.22347 0.69499 -1.45744 -0.02998 0.09155
376 12D-2 0.38706 0.65494 -0.69499 0.05193 0.10599
377 13F 0 0.01795 -0.02171 -0.01254 0.03269 0.01427
378 13F+1 0.00169 0.00843 0.00263 0.02024 0.00667
379 13F-1 -0.00098 -0.00263 -0.00539 -0.01169 -0.00364
380 13F+2 -0.01976 0.02096 -0.02311 -0.01143 0.01043
381 13F-2 0.03422 -0.00109 -0.02096 0.01979 0.00204
382 13F+3 0.00000 0.02185 -0.03785 0.00000 -0.00183
383 13F-3 0.02288 -0.00992 -0.00573 0.02861 0.01384
384 14F 0 -0.11890 0.11116 0.06418 -0.37597 -0.39049
385 14F+1 -0.10409 0.07188 0.26283 -0.42286 -0.62923
386 14F-1 0.06010 -0.26283 0.23161 0.24414 0.76097
387 14F+2 0.26261 -0.13497 0.06157 0.23775 -0.17237
388 14F-2 -0.45485 0.09428 0.13497 -0.41180 0.01207
389 14F+3 0.00000 0.07804 -0.13517 0.00000 -0.26449
390 14F-3 0.05432 0.27077 0.15633 -0.06621 -0.32910
391 8 H 1S -0.00199 0.00846 -0.00488 0.00754 -0.02698
392 2S 1.56742 0.68250 -0.39404 0.71239 0.43138
393 3S -5.68069 -9.69823 5.59927 -1.90946 24.40591
394 4S -2.46024 -9.11713 5.26378 -2.57530 5.75558
395 5S -0.09368 0.09039 -0.05219 -0.06524 0.32438
396 6PX -0.02789 -0.01100 0.03008 -0.01346 -0.01052
397 6PY -0.01610 -0.03008 -0.02373 -0.00777 0.00325
398 6PZ 0.03222 -0.00989 0.00571 0.00823 0.00319
399 7PX -0.01027 0.20272 -0.42541 0.01087 -0.01542
400 7PY -0.00593 0.42541 0.28850 0.00627 -0.11291
401 7PZ -0.20000 0.08424 -0.04864 -0.05238 0.04696
402 8PX 1.32629 2.93276 1.95200 2.46064 -6.95217
403 8PY 0.76574 -1.95200 -5.18674 1.42065 -6.05580
404 8PZ -3.02972 -1.66949 0.96388 -2.75436 -5.39329
405 9PX 0.38738 1.57105 0.78140 0.44348 -0.74600
406 9PY 0.22366 -0.78140 -2.47334 0.25605 -0.65504
407 9PZ -0.25620 -2.48659 1.43563 -1.62981 -0.27116
408 10D 0 0.02259 0.00865 -0.00499 0.02158 0.02491
409 10D+1 -0.00350 -0.00724 -0.00361 -0.01603 -0.02987
410 10D-1 -0.00202 0.00361 0.01141 -0.00925 -0.01564
411 10D+2 0.00610 0.00638 0.04279 0.00245 -0.00229
412 10D-2 0.01056 -0.03542 -0.00638 0.00425 -0.03059
413 11D 0 -0.34937 -0.06238 0.03601 -0.20280 -0.36315
414 11D+1 0.28929 0.31637 0.00923 0.44734 0.40742
415 11D-1 0.16702 -0.00923 -0.32702 0.25827 0.11426
416 11D+2 -0.11711 -0.30627 -0.70478 -0.15799 0.09599
417 11D-2 -0.20284 0.35112 0.30627 -0.27364 0.54538
418 12D 0 -0.79776 -0.61931 0.35756 -1.13835 0.03844
419 12D+1 -0.31034 -0.14109 -0.45256 0.54094 0.54676
420 12D-1 -0.17917 0.45256 0.66366 0.31231 -0.13721
421 12D+2 -0.22347 -0.69499 -1.45744 -0.02998 -0.09155
422 12D-2 -0.38706 0.65494 0.69499 -0.05193 0.10599
423 13F 0 0.01795 0.02171 -0.01254 0.03269 -0.01427
424 13F+1 -0.00169 0.00843 -0.00263 -0.02024 0.00667
425 13F-1 -0.00098 0.00263 -0.00539 -0.01169 0.00364
426 13F+2 -0.01976 -0.02096 -0.02311 -0.01143 -0.01043
427 13F-2 -0.03422 -0.00109 0.02096 -0.01979 0.00204
428 13F+3 0.00000 0.02185 0.03785 0.00000 -0.00183
429 13F-3 0.02288 0.00992 -0.00573 0.02861 -0.01384
430 14F 0 -0.11890 -0.11116 0.06418 -0.37597 0.39049
431 14F+1 0.10409 0.07188 -0.26283 0.42286 -0.62923
432 14F-1 0.06010 0.26283 0.23161 0.24414 -0.76097
433 14F+2 0.26261 0.13497 0.06157 0.23775 0.17237
434 14F-2 0.45485 0.09428 -0.13497 0.41180 0.01207
435 14F+3 0.00000 0.07804 0.13517 0.00000 -0.26449
436 14F-3 0.05432 -0.27077 0.15633 -0.06621 0.32910
231 232 233 234 235
(EG)--V (A1G)--V (A2U)--V (EU)--V (EU)--V
Eigenvalues -- 3.30333 3.33770 3.34001 3.39358 3.39358
1 1 C 1S 0.00000 0.00061 -0.04765 0.00000 0.00000
2 2S 0.00000 -0.04958 0.11876 0.00000 0.00000
3 3S 0.00000 -2.20643 1.97316 0.00000 0.00000
4 4S 0.00000 25.60616 -22.26311 0.00000 0.00000
5 5S 0.00000 -12.71396 61.12512 0.00000 0.00000
6 6S 0.00000 -1.72037 5.69700 0.00000 0.00000
7 7PX 0.00000 0.00000 0.00000 0.00000 0.01069
8 7PY -0.01508 0.00000 0.00000 0.01069 0.00000
9 7PZ 0.00000 -0.11930 0.03041 0.00000 0.00000
10 8PX 0.00000 0.00000 0.00000 0.00000 0.06666
11 8PY -0.34747 0.00000 0.00000 0.06666 0.00000
12 8PZ 0.00000 -0.65626 -0.58291 0.00000 0.00000
13 9PX 0.00000 0.00000 0.00000 0.00000 4.67543
14 9PY 8.44395 0.00000 0.00000 4.67543 0.00000
15 9PZ 0.00000 -1.99484 8.04971 0.00000 0.00000
16 10PX 0.00000 0.00000 0.00000 0.00000 -0.15311
17 10PY 3.52569 0.00000 0.00000 -0.15311 0.00000
18 10PZ 0.00000 2.94438 -12.16305 0.00000 0.00000
19 11PX 0.00000 0.00000 0.00000 0.00000 -0.17110
20 11PY 0.22747 0.00000 0.00000 -0.17110 0.00000
21 11PZ 0.00000 0.35410 -1.41961 0.00000 0.00000
22 12D 0 0.00000 -0.05817 0.04293 0.00000 0.00000
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429 13F-3 -0.00799 0.01770 0.02937 -0.00240 -0.00416
430 14F 0 0.22545 0.19180 0.09323 0.31956 0.55350
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434 14F-2 0.17237 0.35219 -0.00491 -0.28835 -0.26890
435 14F+3 0.45811 0.00000 0.00000 0.11784 -0.06803
436 14F-3 0.19001 0.01117 -0.38776 0.00359 0.00623
236 237 238 239 240
(A2U)--V (EG)--V (EG)--V (EU)--V (EU)--V
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216 7PY -0.04954 0.45829 0.62986 0.15291 -0.30100
217 7PZ 0.80517 0.28044 -0.16191 0.25166 -0.14530
218 8PX -0.56771 3.09613 0.36922 1.79568 -0.14023
219 8PY -0.32777 -0.36922 -3.52247 0.14023 -1.63376
220 8PZ -1.17264 -3.18734 1.84021 1.10903 -0.64030
221 9PX 0.26353 1.23073 0.67130 0.81835 -0.09158
222 9PY 0.15215 -0.67130 -2.00588 0.09158 -0.71261
223 9PZ -1.97514 -0.81184 0.46872 1.08092 -0.62407
224 10D 0 -0.02128 0.00528 -0.00305 0.04428 -0.02556
225 10D+1 0.04061 0.01031 0.00564 -0.02309 -0.00210
226 10D-1 0.02345 -0.00564 -0.01682 0.00210 0.02551
227 10D+2 -0.00468 -0.02066 -0.04495 0.00398 -0.02842
228 10D-2 -0.00811 0.02110 0.02066 0.03302 -0.00398
229 11D 0 0.38716 -0.01522 0.00879 -0.93776 0.54141
230 11D+1 -0.52205 -0.29838 -0.00039 0.42889 -0.02320
231 11D-1 -0.30141 0.00039 0.29882 0.02320 -0.40211
232 11D+2 -0.00966 0.39071 0.70589 0.16457 0.40296
233 11D-2 -0.01674 -0.25473 -0.39071 -0.21293 -0.16457
234 12D 0 0.71308 -0.19932 0.11507 -1.35092 0.77995
235 12D+1 -0.93530 -0.10619 -0.27774 0.84525 -0.29052
236 12D-1 -0.54000 0.27774 0.42691 0.29052 -0.50978
237 12D+2 0.03292 0.60909 1.30040 0.17795 0.59335
238 12D-2 0.05702 -0.59708 -0.60909 -0.38787 -0.17795
239 13F 0 0.00632 0.02918 -0.01685 -0.00365 0.00211
240 13F+1 0.04651 0.01780 -0.02746 -0.00584 -0.00248
241 13F-1 0.02685 0.02746 0.01391 0.00248 0.00870
242 13F+2 -0.01522 -0.01811 -0.00689 0.00269 0.00543
243 13F-2 -0.02637 -0.01402 0.01811 -0.00233 -0.00269
244 13F+3 0.00000 0.02458 0.04257 -0.00291 -0.00504
245 13F-3 -0.00432 0.01431 -0.00826 0.02076 -0.01199
246 14F 0 0.05538 -0.25174 0.14534 0.18826 -0.10869
247 14F+1 0.34575 -0.17637 0.23978 -0.43324 0.33336
248 14F-1 0.19962 -0.23978 -0.10051 -0.33336 0.04831
249 14F+2 -0.32824 0.02082 -0.09147 0.35129 0.21302
250 14F-2 -0.56853 0.11552 -0.02082 0.19261 -0.35129
251 14F+3 0.00000 0.28073 0.48624 0.14085 0.24396
252 14F-3 -0.04267 -0.32369 0.18688 -0.35846 0.20696
253 5 H 1S 0.00243 0.01918 0.01107 -0.00854 -0.00493
254 2S -0.16045 0.25235 0.14570 0.19768 0.11413
255 3S -2.27520 -9.00574 -5.19947 -4.75564 -2.74567
256 4S 1.33875 -4.40046 -2.54061 -3.05050 -1.76121
257 5S -0.11618 0.56688 0.32729 0.23728 0.13699
258 6PX 0.00492 0.01724 -0.03341 -0.03819 -0.01284
259 6PY -0.00284 0.03341 -0.05581 0.01284 0.02336
260 6PZ -0.04845 0.02555 0.01475 0.01864 0.01076
261 7PX 0.08581 -0.10067 0.45829 0.47756 0.15291
262 7PY -0.04954 -0.45829 0.62986 -0.15291 -0.30100
263 7PZ 0.80517 -0.28044 -0.16191 -0.25166 -0.14530
264 8PX 0.56771 3.09613 -0.36922 1.79568 0.14023
265 8PY -0.32777 0.36922 -3.52247 -0.14023 -1.63376
266 8PZ -1.17264 3.18734 1.84021 -1.10903 -0.64030
267 9PX -0.26353 1.23073 -0.67130 0.81835 0.09158
268 9PY 0.15215 0.67130 -2.00588 -0.09158 -0.71261
269 9PZ -1.97514 0.81184 0.46872 -1.08092 -0.62407
270 10D 0 -0.02128 -0.00528 -0.00305 -0.04428 -0.02556
271 10D+1 -0.04061 0.01031 -0.00564 -0.02309 0.00210
272 10D-1 0.02345 0.00564 -0.01682 -0.00210 0.02551
273 10D+2 -0.00468 0.02066 -0.04495 -0.00398 -0.02842
274 10D-2 0.00811 0.02110 -0.02066 0.03302 0.00398
275 11D 0 0.38716 0.01522 0.00879 0.93776 0.54141
276 11D+1 0.52205 -0.29838 0.00039 0.42889 0.02320
277 11D-1 -0.30141 -0.00039 0.29882 -0.02320 -0.40211
278 11D+2 -0.00966 -0.39071 0.70589 -0.16457 0.40296
279 11D-2 0.01674 -0.25473 0.39071 -0.21293 0.16457
280 12D 0 0.71308 0.19932 0.11507 1.35092 0.77995
281 12D+1 0.93530 -0.10619 0.27774 0.84525 0.29052
282 12D-1 -0.54000 -0.27774 0.42691 -0.29052 -0.50978
283 12D+2 0.03292 -0.60909 1.30040 -0.17795 0.59335
284 12D-2 -0.05702 -0.59708 0.60909 -0.38787 0.17795
285 13F 0 0.00632 -0.02918 -0.01685 0.00365 0.00211
286 13F+1 -0.04651 0.01780 0.02746 -0.00584 0.00248
287 13F-1 0.02685 -0.02746 0.01391 -0.00248 0.00870
288 13F+2 -0.01522 0.01811 -0.00689 -0.00269 0.00543
289 13F-2 0.02637 -0.01402 -0.01811 -0.00233 0.00269
290 13F+3 0.00000 0.02458 -0.04257 -0.00291 0.00504
291 13F-3 -0.00432 -0.01431 -0.00826 -0.02076 -0.01199
292 14F 0 0.05538 0.25174 0.14534 -0.18826 -0.10869
293 14F+1 -0.34575 -0.17637 -0.23978 -0.43324 -0.33336
294 14F-1 0.19962 0.23978 -0.10051 0.33336 0.04831
295 14F+2 -0.32824 -0.02082 -0.09147 -0.35129 0.21302
296 14F-2 0.56853 0.11552 0.02082 0.19261 0.35129
297 14F+3 0.00000 0.28073 -0.48624 0.14085 -0.24396
298 14F-3 -0.04267 0.32369 0.18688 0.35846 0.20696
299 6 H 1S -0.00243 0.00000 -0.02215 0.00000 -0.00986
300 2S 0.16045 0.00000 -0.29139 0.00000 0.22826
301 3S 2.27520 0.00000 10.39893 0.00000 -5.49134
302 4S -1.33875 0.00000 5.08122 0.00000 -3.52242
303 5S 0.11618 0.00000 -0.65457 0.00000 0.27398
304 6PX 0.00000 -0.07510 0.00000 -0.01595 0.00000
305 6PY 0.00569 0.00000 -0.00205 0.00000 0.04560
306 6PZ -0.04845 0.00000 0.02950 0.00000 -0.02153
307 7PX 0.00000 0.89445 0.00000 0.21272 0.00000
308 7PY 0.09908 0.00000 0.16392 0.00000 -0.56584
309 7PZ 0.80517 0.00000 -0.32383 0.00000 0.29059
310 8PX 0.00000 -3.73564 0.00000 1.55280 0.00000
311 8PY 0.65553 0.00000 2.88295 0.00000 -1.87664
312 8PZ -1.17264 0.00000 3.68042 0.00000 1.28060
313 9PX 0.00000 -2.39346 0.00000 0.65973 0.00000
314 9PY -0.30429 0.00000 0.84315 0.00000 -0.87122
315 9PZ -1.97514 0.00000 0.93743 0.00000 1.24814
316 10D 0 0.02128 0.00000 0.00609 0.00000 -0.05113
317 10D+1 0.00000 0.02008 0.00000 0.02672 0.00000
318 10D-1 0.04689 0.00000 -0.00705 0.00000 -0.02188
319 10D+2 -0.00936 0.00000 -0.00917 0.00000 0.03532
320 10D-2 0.00000 0.05688 0.00000 -0.02612 0.00000
321 11D 0 -0.38716 0.00000 -0.01757 0.00000 1.08283
322 11D+1 0.00000 -0.29905 0.00000 -0.38872 0.00000
323 11D-1 -0.60282 0.00000 0.29815 0.00000 0.44228
324 11D+2 -0.01933 0.00000 0.02915 0.00000 -0.11791
325 11D-2 0.00000 -0.93147 0.00000 0.49798 0.00000
326 12D 0 -0.71308 0.00000 -0.23015 0.00000 1.55990
327 12D+1 0.00000 -0.58726 0.00000 -0.34205 0.00000
328 12D-1 -1.07999 0.00000 -0.05416 0.00000 1.01298
329 12D+2 0.06584 0.00000 0.24542 0.00000 -0.28513
330 12D-2 0.00000 -1.65206 0.00000 0.69609 0.00000
331 13F 0 0.00632 0.00000 -0.03369 0.00000 -0.00421
332 13F+1 0.00000 0.02977 0.00000 -0.01013 0.00000
333 13F-1 -0.05370 0.00000 0.03365 0.00000 0.00440
334 13F+2 0.03045 0.00000 -0.02448 0.00000 0.00078
335 13F-2 0.00000 -0.01735 0.00000 -0.00698 0.00000
336 13F+3 0.00000 0.04916 0.00000 0.00582 0.00000
337 13F-3 -0.00432 0.00000 -0.01652 0.00000 0.02397
338 14F 0 0.05538 0.00000 0.29068 0.00000 0.21738
339 14F+1 0.00000 -0.23895 0.00000 0.14416 0.00000
340 14F-1 -0.39924 0.00000 -0.31481 0.00000 0.62570
341 14F+2 0.65649 0.00000 0.12754 0.00000 -0.39543
342 14F-2 0.00000 -0.07945 0.00000 -0.41584 0.00000
343 14F+3 0.00000 0.56146 0.00000 -0.28170 0.00000
344 14F-3 -0.04267 0.00000 0.37376 0.00000 -0.41392
345 7 H 1S -0.00243 0.01918 0.01107 0.00854 0.00493
346 2S 0.16045 0.25235 0.14570 -0.19768 -0.11413
347 3S 2.27520 -9.00574 -5.19947 4.75564 2.74567
348 4S -1.33875 -4.40046 -2.54061 3.05050 1.76121
349 5S 0.11618 0.56688 0.32729 -0.23728 -0.13699
350 6PX 0.00492 -0.01724 0.03341 -0.03819 -0.01284
351 6PY -0.00284 -0.03341 0.05581 0.01284 0.02336
352 6PZ -0.04845 -0.02555 -0.01475 0.01864 0.01076
353 7PX 0.08581 0.10067 -0.45829 0.47756 0.15291
354 7PY -0.04954 0.45829 -0.62986 -0.15291 -0.30100
355 7PZ 0.80517 0.28044 0.16191 -0.25166 -0.14530
356 8PX 0.56771 -3.09613 0.36922 1.79568 0.14023
357 8PY -0.32777 -0.36922 3.52247 -0.14023 -1.63376
358 8PZ -1.17264 -3.18734 -1.84021 -1.10903 -0.64030
359 9PX -0.26353 -1.23073 0.67130 0.81835 0.09158
360 9PY 0.15215 -0.67130 2.00588 -0.09158 -0.71261
361 9PZ -1.97514 -0.81184 -0.46872 -1.08092 -0.62407
362 10D 0 0.02128 -0.00528 -0.00305 0.04428 0.02556
363 10D+1 0.04061 0.01031 -0.00564 0.02309 -0.00210
364 10D-1 -0.02345 0.00564 -0.01682 0.00210 -0.02551
365 10D+2 0.00468 0.02066 -0.04495 0.00398 0.02842
366 10D-2 -0.00811 0.02110 -0.02066 -0.03302 -0.00398
367 11D 0 -0.38716 0.01522 0.00879 -0.93776 -0.54141
368 11D+1 -0.52205 -0.29838 0.00039 -0.42889 -0.02320
369 11D-1 0.30141 -0.00039 0.29882 0.02320 0.40211
370 11D+2 0.00966 -0.39071 0.70589 0.16457 -0.40296
371 11D-2 -0.01674 -0.25473 0.39071 0.21293 -0.16457
372 12D 0 -0.71308 0.19932 0.11507 -1.35092 -0.77995
373 12D+1 -0.93530 -0.10619 0.27774 -0.84525 -0.29052
374 12D-1 0.54000 -0.27774 0.42691 0.29052 0.50978
375 12D+2 -0.03292 -0.60909 1.30040 0.17795 -0.59335
376 12D-2 0.05702 -0.59708 0.60909 0.38787 -0.17795
377 13F 0 0.00632 0.02918 0.01685 0.00365 0.00211
378 13F+1 -0.04651 -0.01780 -0.02746 -0.00584 0.00248
379 13F-1 0.02685 0.02746 -0.01391 -0.00248 0.00870
380 13F+2 -0.01522 -0.01811 0.00689 -0.00269 0.00543
381 13F-2 0.02637 0.01402 0.01811 -0.00233 0.00269
382 13F+3 0.00000 -0.02458 0.04257 -0.00291 0.00504
383 13F-3 -0.00432 0.01431 0.00826 -0.02076 -0.01199
384 14F 0 0.05538 -0.25174 -0.14534 -0.18826 -0.10869
385 14F+1 -0.34575 0.17637 0.23978 -0.43324 -0.33336
386 14F-1 0.19962 -0.23978 0.10051 0.33336 0.04831
387 14F+2 -0.32824 0.02082 0.09147 -0.35129 0.21302
388 14F-2 0.56853 -0.11552 -0.02082 0.19261 0.35129
389 14F+3 0.00000 -0.28073 0.48624 0.14085 -0.24396
390 14F-3 -0.04267 -0.32369 -0.18688 0.35846 0.20696
391 8 H 1S -0.00243 -0.01918 0.01107 -0.00854 0.00493
392 2S 0.16045 -0.25235 0.14570 0.19768 -0.11413
393 3S 2.27520 9.00574 -5.19947 -4.75564 2.74567
394 4S -1.33875 4.40046 -2.54061 -3.05050 1.76121
395 5S 0.11618 -0.56688 0.32729 0.23728 -0.13699
396 6PX -0.00492 -0.01724 -0.03341 -0.03819 0.01284
397 6PY -0.00284 0.03341 0.05581 -0.01284 0.02336
398 6PZ -0.04845 0.02555 -0.01475 -0.01864 0.01076
399 7PX -0.08581 0.10067 0.45829 0.47756 -0.15291
400 7PY -0.04954 -0.45829 -0.62986 0.15291 -0.30100
401 7PZ 0.80517 -0.28044 0.16191 0.25166 -0.14530
402 8PX -0.56771 -3.09613 -0.36922 1.79568 -0.14023
403 8PY -0.32777 0.36922 3.52247 0.14023 -1.63376
404 8PZ -1.17264 3.18734 -1.84021 1.10903 -0.64030
405 9PX 0.26353 -1.23073 -0.67130 0.81835 -0.09158
406 9PY 0.15215 0.67130 2.00588 0.09158 -0.71261
407 9PZ -1.97514 0.81184 -0.46872 1.08092 -0.62407
408 10D 0 0.02128 0.00528 -0.00305 -0.04428 0.02556
409 10D+1 -0.04061 0.01031 0.00564 0.02309 0.00210
410 10D-1 -0.02345 -0.00564 -0.01682 -0.00210 -0.02551
411 10D+2 0.00468 -0.02066 -0.04495 -0.00398 0.02842
412 10D-2 0.00811 0.02110 0.02066 -0.03302 0.00398
413 11D 0 -0.38716 -0.01522 0.00879 0.93776 -0.54141
414 11D+1 0.52205 -0.29838 -0.00039 -0.42889 0.02320
415 11D-1 0.30141 0.00039 0.29882 -0.02320 0.40211
416 11D+2 0.00966 0.39071 0.70589 -0.16457 -0.40296
417 11D-2 0.01674 -0.25473 -0.39071 0.21293 0.16457
418 12D 0 -0.71308 -0.19932 0.11507 1.35092 -0.77995
419 12D+1 0.93530 -0.10619 -0.27774 -0.84525 0.29052
420 12D-1 0.54000 0.27774 0.42691 -0.29052 0.50978
421 12D+2 -0.03292 0.60909 1.30040 -0.17795 -0.59335
422 12D-2 -0.05702 -0.59708 -0.60909 0.38787 0.17795
423 13F 0 0.00632 -0.02918 0.01685 -0.00365 0.00211
424 13F+1 0.04651 -0.01780 0.02746 -0.00584 -0.00248
425 13F-1 0.02685 -0.02746 -0.01391 0.00248 0.00870
426 13F+2 -0.01522 0.01811 0.00689 0.00269 0.00543
427 13F-2 -0.02637 0.01402 -0.01811 -0.00233 -0.00269
428 13F+3 0.00000 -0.02458 -0.04257 -0.00291 -0.00504
429 13F-3 -0.00432 -0.01431 0.00826 0.02076 -0.01199
430 14F 0 0.05538 0.25174 -0.14534 0.18826 -0.10869
431 14F+1 0.34575 0.17637 -0.23978 -0.43324 0.33336
432 14F-1 0.19962 0.23978 0.10051 -0.33336 0.04831
433 14F+2 -0.32824 -0.02082 0.09147 0.35129 0.21302
434 14F-2 -0.56853 -0.11552 0.02082 0.19261 -0.35129
435 14F+3 0.00000 -0.28073 -0.48624 0.14085 0.24396
436 14F-3 -0.04267 0.32369 -0.18688 -0.35846 0.20696
241 242 243 244 245
(A1U)--V (EG)--V (EG)--V (EU)--V (EU)--V
Eigenvalues -- 3.67494 3.72317 3.72317 3.76028 3.76028
1 1 C 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 7PX 0.00000 0.01868 0.00000 0.00000 0.10011
8 7PY 0.00000 0.00000 0.01868 -0.10011 0.00000
9 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
10 8PX 0.00000 0.51508 0.00000 0.00000 0.04486
11 8PY 0.00000 0.00000 0.51508 -0.04486 0.00000
12 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
13 9PX 0.00000 -1.02973 0.00000 0.00000 10.16609
14 9PY 0.00000 0.00000 -1.02973 -10.16609 0.00000
15 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
16 10PX 0.00000 -2.63748 0.00000 0.00000 8.99244
17 10PY 0.00000 0.00000 -2.63748 -8.99244 0.00000
18 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000
19 11PX 0.00000 -0.26534 0.00000 0.00000 0.80008
20 11PY 0.00000 0.00000 -0.26534 -0.80008 0.00000
21 11PZ 0.00000 0.00000 0.00000 0.00000 0.00000
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23 12D+1 0.00000 0.01761 0.00000 0.00000 0.00078
24 12D-1 0.00000 0.00000 0.01761 -0.00078 0.00000
25 12D+2 0.00000 0.00000 -0.00476 0.00677 0.00000
26 12D-2 0.00000 -0.00476 0.00000 0.00000 -0.00677
27 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000
28 13D+1 0.00000 -0.01624 0.00000 0.00000 -0.38010
29 13D-1 0.00000 0.00000 -0.01624 0.38010 0.00000
30 13D+2 0.00000 0.00000 0.15715 -0.35371 0.00000
31 13D-2 0.00000 0.15715 0.00000 0.00000 0.35371
32 14D 0 0.00000 0.00000 0.00000 0.00000 0.00000
33 14D+1 0.00000 22.66282 0.00000 0.00000 4.68036
34 14D-1 0.00000 0.00000 22.66282 -4.68036 0.00000
35 14D+2 0.00000 0.00000 -6.84270 3.42602 0.00000
36 14D-2 0.00000 -6.84270 0.00000 0.00000 -3.42602
37 15D 0 0.00000 0.00000 0.00000 0.00000 0.00000
38 15D+1 0.00000 0.94313 0.00000 0.00000 0.72429
39 15D-1 0.00000 0.00000 0.94313 -0.72429 0.00000
40 15D+2 0.00000 0.00000 0.05231 1.23912 0.00000
41 15D-2 0.00000 0.05231 0.00000 0.00000 -1.23912
42 16F 0 0.00000 0.00000 0.00000 0.00000 0.00000
43 16F+1 0.00000 0.07975 0.00000 0.00000 0.01064
44 16F-1 0.00000 0.00000 0.07975 -0.01064 0.00000
45 16F+2 0.00000 0.00000 0.01475 -0.02102 0.00000
46 16F-2 0.00000 0.01475 0.00000 0.00000 0.02102
47 16F+3 -0.00643 0.00000 0.00000 0.00000 0.00000
48 16F-3 0.00000 0.00000 0.00000 0.00000 0.00000
49 17F 0 0.00000 0.00000 0.00000 0.00000 0.00000
50 17F+1 0.00000 -3.14233 0.00000 0.00000 0.15024
51 17F-1 0.00000 0.00000 -3.14233 -0.15024 0.00000
52 17F+2 0.00000 0.00000 0.53303 0.69707 0.00000
53 17F-2 0.00000 0.53303 0.00000 0.00000 -0.69707
54 17F+3 0.19034 0.00000 0.00000 0.00000 0.00000
55 17F-3 0.00000 0.00000 0.00000 0.00000 0.00000
56 18F 0 0.00000 0.00000 0.00000 0.00000 0.00000
57 18F+1 0.00000 -3.37557 0.00000 0.00000 -0.33005
58 18F-1 0.00000 0.00000 -3.37557 0.33005 0.00000
59 18F+2 0.00000 0.00000 -3.91423 4.56267 0.00000
60 18F-2 0.00000 -3.91423 0.00000 0.00000 -4.56267
61 18F+3 2.29667 0.00000 0.00000 0.00000 0.00000
62 18F-3 0.00000 0.00000 0.00000 0.00000 0.00000
63 19G 0 0.00000 0.00000 0.00000 0.00000 0.00000
64 19G+1 0.00000 -0.02602 0.00000 0.00000 -0.19675
65 19G-1 0.00000 0.00000 -0.02602 0.19675 0.00000
66 19G+2 0.00000 0.00000 0.13724 0.02521 0.00000
67 19G-2 0.00000 0.13724 0.00000 0.00000 -0.02521
68 19G+3 -0.00736 0.00000 0.00000 0.00000 0.00000
69 19G-3 0.00000 0.00000 0.00000 0.00000 0.00000
70 19G+4 0.00000 0.00000 0.10950 -0.10490 0.00000
71 19G-4 0.00000 -0.10950 0.00000 0.00000 -0.10490
72 20G 0 0.00000 0.00000 0.00000 0.00000 0.00000
73 20G+1 0.00000 1.87480 0.00000 0.00000 1.86567
74 20G-1 0.00000 0.00000 1.87480 -1.86567 0.00000
75 20G+2 0.00000 0.00000 -0.21572 0.43067 0.00000
76 20G-2 0.00000 -0.21572 0.00000 0.00000 -0.43067
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246 247 248 249 250
(A2G)--V (A1G)--V (A1U)--V (EU)--V (EU)--V
Eigenvalues -- 3.77466 3.86043 3.86846 3.97770 3.97770
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275 11D 0 0.00000 -0.40602 0.00000 -0.75574 0.43633
276 11D+1 -0.02540 -0.04435 0.37600 -0.53334 0.79237
277 11D-1 -0.04399 0.02561 0.65125 0.79237 0.38162
278 11D+2 1.24351 0.20728 1.14840 0.63115 0.28839
279 11D-2 0.71794 -0.35901 0.66303 -0.44040 0.63115
280 12D 0 0.00000 -0.66048 0.00000 -0.64354 0.37155
281 12D+1 -0.12809 0.12647 0.21309 -0.33284 0.38358
282 12D-1 -0.22186 -0.07302 0.36908 0.38358 0.11007
283 12D+2 1.31480 0.51725 0.93751 0.66154 0.24932
284 12D-2 0.75910 -0.89591 0.54127 -0.51455 0.66154
285 13F 0 0.00000 -0.01096 0.00000 -0.00484 0.00280
286 13F+1 -0.00053 0.00530 0.00445 0.04347 -0.02918
287 13F-1 -0.00091 -0.00306 0.00770 -0.02918 0.00978
288 13F+2 -0.02610 0.00361 -0.03754 0.00715 -0.03338
289 13F-2 -0.01507 -0.00626 -0.02167 -0.04163 0.00715
290 13F+3 -0.02475 0.00000 -0.04389 -0.01494 -0.02588
291 13F-3 0.00000 -0.01821 0.00000 0.02865 -0.01654
292 14F 0 0.00000 0.33884 0.00000 -0.00153 0.00089
293 14F+1 0.17752 0.18966 -0.03413 0.27618 -0.08709
294 14F-1 0.30747 -0.10950 -0.05911 -0.08709 0.17562
295 14F+2 0.03836 -0.00372 -0.30392 -0.24046 -0.39427
296 14F-2 0.02214 0.00645 -0.17547 -0.11661 -0.24046
297 14F+3 -0.64903 0.00000 -0.48085 -0.07347 -0.12725
298 14F-3 0.00000 0.39019 0.00000 0.36350 -0.20987
299 6 H 1S 0.00000 -0.00459 0.00000 0.00000 0.01740
300 2S 0.00000 0.27752 0.00000 0.00000 0.35487
301 3S 0.00000 -7.42533 0.00000 0.00000 0.27488
302 4S 0.00000 -5.75750 0.00000 0.00000 -4.58619
303 5S 0.00000 -0.16718 0.00000 0.00000 0.71602
304 6PX 0.03775 0.00000 -0.02555 0.00479 0.00000
305 6PY 0.00000 0.04581 0.00000 0.00000 -0.03879
306 6PZ 0.00000 0.00950 0.00000 0.00000 0.00574
307 7PX -0.48648 0.00000 0.32712 -0.06467 0.00000
308 7PY 0.00000 -0.82081 0.00000 0.00000 0.48143
309 7PZ 0.00000 -0.16110 0.00000 0.00000 -0.11648
310 8PX -2.71404 0.00000 2.88614 -1.83555 0.00000
311 8PY 0.00000 0.42222 0.00000 0.00000 -1.64328
312 8PZ 0.00000 -1.16985 0.00000 0.00000 4.10044
313 9PX -1.11570 0.00000 0.77496 -1.85849 0.00000
314 9PY 0.00000 0.09241 0.00000 0.00000 -1.65084
315 9PZ 0.00000 -0.80056 0.00000 0.00000 1.25240
316 10D 0 0.00000 0.03405 0.00000 0.00000 -0.03965
317 10D+1 -0.01735 0.00000 -0.03191 0.03726 0.00000
318 10D-1 0.00000 -0.01417 0.00000 0.00000 -0.03116
319 10D+2 0.00000 0.05047 0.00000 0.00000 -0.04842
320 10D-2 0.05495 0.00000 -0.04439 0.02228 0.00000
321 11D 0 0.00000 -0.40602 0.00000 0.00000 0.87266
322 11D+1 0.05080 0.00000 0.75200 -0.83910 0.00000
323 11D-1 0.00000 -0.05122 0.00000 0.00000 0.99082
324 11D+2 0.00000 -0.41455 0.00000 0.00000 0.80480
325 11D-2 -1.43588 0.00000 1.32606 -0.65279 0.00000
326 12D 0 0.00000 -0.66048 0.00000 0.00000 0.74309
327 12D+1 0.25618 0.00000 0.42618 -0.33153 0.00000
328 12D-1 0.00000 0.14603 0.00000 0.00000 0.55430
329 12D+2 0.00000 -1.03450 0.00000 0.00000 0.89649
330 12D-2 -1.51819 0.00000 1.08255 -0.63126 0.00000
331 13F 0 0.00000 0.01096 0.00000 0.00000 -0.00559
332 13F+1 -0.00106 0.00000 -0.00889 -0.00707 0.00000
333 13F-1 0.00000 -0.00611 0.00000 0.00000 0.06031
334 13F+2 0.00000 0.00723 0.00000 0.00000 -0.04576
335 13F-2 -0.03014 0.00000 0.04335 -0.02925 0.00000
336 13F+3 0.02475 0.00000 -0.04389 0.02989 0.00000
337 13F-3 0.00000 0.01821 0.00000 0.00000 0.03308
338 14F 0 0.00000 -0.33884 0.00000 0.00000 -0.00177
339 14F+1 0.35503 0.00000 0.06825 0.12534 0.00000
340 14F-1 0.00000 -0.21900 0.00000 0.00000 0.32646
341 14F+2 0.00000 -0.00745 0.00000 0.00000 0.02222
342 14F-2 0.04429 0.00000 0.35093 -0.53309 0.00000
343 14F+3 0.64903 0.00000 -0.48085 0.14693 0.00000
344 14F-3 0.00000 -0.39019 0.00000 0.00000 0.41974
345 7 H 1S 0.00000 -0.00459 0.00000 0.01507 -0.00870
346 2S 0.00000 0.27752 0.00000 0.30733 -0.17744
347 3S 0.00000 -7.42533 0.00000 0.23805 -0.13744
348 4S 0.00000 -5.75750 0.00000 -3.97176 2.29309
349 5S 0.00000 -0.16718 0.00000 0.62010 -0.35801
350 6PX -0.01888 0.03967 0.01278 -0.02790 0.01887
351 6PY -0.03269 -0.02291 0.02213 0.01887 -0.00610
352 6PZ 0.00000 0.00950 0.00000 0.00497 -0.00287
353 7PX 0.24324 -0.71084 -0.16356 0.34490 -0.23647
354 7PY 0.42130 0.41040 -0.28329 -0.23647 0.07185
355 7PZ 0.00000 -0.16110 0.00000 -0.10087 0.05824
356 8PX 1.35702 0.36565 -1.44307 -1.69135 -0.08326
357 8PY 2.35043 -0.21111 -2.49947 -0.08326 -1.78748
358 8PZ 0.00000 -1.16985 0.00000 3.55109 -2.05022
359 9PX 0.55785 0.08003 -0.38748 -1.70276 -0.08991
360 9PY 0.96622 -0.04620 -0.67113 -0.08991 -1.80658
361 9PZ 0.00000 -0.80056 0.00000 1.08461 -0.62620
362 10D 0 0.00000 0.03405 0.00000 -0.03434 0.01982
363 10D+1 0.00868 -0.01228 0.01596 -0.01405 0.02963
364 10D-1 0.01503 0.00709 0.02764 0.02963 0.02016
365 10D+2 -0.04759 -0.02523 0.03844 0.03061 0.00460
366 10D-2 -0.02747 0.04371 0.02219 -0.03075 0.03061
367 11D 0 0.00000 -0.40602 0.00000 0.75574 -0.43633
368 11D+1 -0.02540 -0.04435 -0.37600 0.53334 -0.79237
369 11D-1 -0.04399 0.02561 -0.65125 -0.79237 -0.38162
370 11D+2 1.24351 0.20728 -1.14840 -0.63115 -0.28839
371 11D-2 0.71794 -0.35901 -0.66303 0.44040 -0.63115
372 12D 0 0.00000 -0.66048 0.00000 0.64354 -0.37155
373 12D+1 -0.12809 0.12647 -0.21309 0.33284 -0.38358
374 12D-1 -0.22186 -0.07302 -0.36908 -0.38358 -0.11007
375 12D+2 1.31480 0.51725 -0.93751 -0.66154 -0.24932
376 12D-2 0.75910 -0.89591 -0.54127 0.51455 -0.66154
377 13F 0 0.00000 0.01096 0.00000 -0.00484 0.00280
378 13F+1 0.00053 -0.00530 0.00445 0.04347 -0.02918
379 13F-1 0.00091 0.00306 0.00770 -0.02918 0.00978
380 13F+2 0.02610 -0.00361 -0.03754 0.00715 -0.03338
381 13F-2 0.01507 0.00626 -0.02167 -0.04163 0.00715
382 13F+3 0.02475 0.00000 -0.04389 -0.01494 -0.02588
383 13F-3 0.00000 0.01821 0.00000 0.02865 -0.01654
384 14F 0 0.00000 -0.33884 0.00000 -0.00153 0.00089
385 14F+1 -0.17752 -0.18966 -0.03413 0.27618 -0.08709
386 14F-1 -0.30747 0.10950 -0.05911 -0.08709 0.17562
387 14F+2 -0.03836 0.00372 -0.30392 -0.24046 -0.39427
388 14F-2 -0.02214 -0.00645 -0.17547 -0.11661 -0.24046
389 14F+3 0.64903 0.00000 -0.48085 -0.07347 -0.12725
390 14F-3 0.00000 -0.39019 0.00000 0.36350 -0.20987
391 8 H 1S 0.00000 -0.00459 0.00000 -0.01507 -0.00870
392 2S 0.00000 0.27752 0.00000 -0.30733 -0.17744
393 3S 0.00000 -7.42533 0.00000 -0.23805 -0.13744
394 4S 0.00000 -5.75750 0.00000 3.97176 2.29309
395 5S 0.00000 -0.16718 0.00000 -0.62010 -0.35801
396 6PX -0.01888 -0.03967 0.01278 -0.02790 -0.01887
397 6PY 0.03269 -0.02291 -0.02213 -0.01887 -0.00610
398 6PZ 0.00000 0.00950 0.00000 -0.00497 -0.00287
399 7PX 0.24324 0.71084 -0.16356 0.34490 0.23647
400 7PY -0.42130 0.41040 0.28329 0.23647 0.07185
401 7PZ 0.00000 -0.16110 0.00000 0.10087 0.05824
402 8PX 1.35702 -0.36565 -1.44307 -1.69135 0.08326
403 8PY -2.35043 -0.21111 2.49947 0.08326 -1.78748
404 8PZ 0.00000 -1.16985 0.00000 -3.55109 -2.05022
405 9PX 0.55785 -0.08003 -0.38748 -1.70276 0.08991
406 9PY -0.96622 -0.04620 0.67113 0.08991 -1.80658
407 9PZ 0.00000 -0.80056 0.00000 -1.08461 -0.62620
408 10D 0 0.00000 0.03405 0.00000 0.03434 0.01982
409 10D+1 0.00868 0.01228 0.01596 -0.01405 -0.02963
410 10D-1 -0.01503 0.00709 -0.02764 -0.02963 0.02016
411 10D+2 0.04759 -0.02523 -0.03844 -0.03061 0.00460
412 10D-2 -0.02747 -0.04371 0.02219 -0.03075 -0.03061
413 11D 0 0.00000 -0.40602 0.00000 -0.75574 -0.43633
414 11D+1 -0.02540 0.04435 -0.37600 0.53334 0.79237
415 11D-1 0.04399 0.02561 0.65125 0.79237 -0.38162
416 11D+2 -1.24351 0.20728 1.14840 0.63115 -0.28839
417 11D-2 0.71794 0.35901 -0.66303 0.44040 0.63115
418 12D 0 0.00000 -0.66048 0.00000 -0.64354 -0.37155
419 12D+1 -0.12809 -0.12647 -0.21309 0.33284 0.38358
420 12D-1 0.22186 -0.07302 0.36908 0.38358 -0.11007
421 12D+2 -1.31480 0.51725 0.93751 0.66154 -0.24932
422 12D-2 0.75910 0.89591 -0.54127 0.51455 0.66154
423 13F 0 0.00000 0.01096 0.00000 0.00484 0.00280
424 13F+1 0.00053 0.00530 0.00445 0.04347 0.02918
425 13F-1 -0.00091 0.00306 -0.00770 0.02918 0.00978
426 13F+2 -0.02610 -0.00361 0.03754 -0.00715 -0.03338
427 13F-2 0.01507 -0.00626 -0.02167 -0.04163 -0.00715
428 13F+3 0.02475 0.00000 -0.04389 -0.01494 0.02588
429 13F-3 0.00000 0.01821 0.00000 -0.02865 -0.01654
430 14F 0 0.00000 -0.33884 0.00000 0.00153 0.00089
431 14F+1 -0.17752 0.18966 -0.03413 0.27618 0.08709
432 14F-1 0.30747 0.10950 0.05911 0.08709 0.17562
433 14F+2 0.03836 0.00372 0.30392 0.24046 -0.39427
434 14F-2 -0.02214 0.00645 -0.17547 -0.11661 0.24046
435 14F+3 0.64903 0.00000 -0.48085 -0.07347 0.12725
436 14F-3 0.00000 -0.39019 0.00000 -0.36350 -0.20987
251 252 253 254 255
(A2U)--V (EG)--V (EG)--V (EU)--V (EU)--V
Eigenvalues -- 3.99054 3.99225 3.99225 4.01703 4.01703
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2 2S -0.10357 0.00000 0.00000 0.00000 0.00000
3 3S -0.30533 0.00000 0.00000 0.00000 0.00000
4 4S -9.28582 0.00000 0.00000 0.00000 0.00000
5 5S 8.16699 0.00000 0.00000 0.00000 0.00000
6 6S 0.81133 0.00000 0.00000 0.00000 0.00000
7 7PX 0.00000 0.00000 0.05682 -0.02366 0.00000
8 7PY 0.00000 0.05682 0.00000 0.00000 0.02366
9 7PZ 0.08027 0.00000 0.00000 0.00000 0.00000
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11 8PY 0.00000 0.03396 0.00000 0.00000 1.34103
12 8PZ -0.40189 0.00000 0.00000 0.00000 0.00000
13 9PX 0.00000 0.00000 4.12171 -1.90268 0.00000
14 9PY 0.00000 4.12171 0.00000 0.00000 1.90268
15 9PZ 11.46929 0.00000 0.00000 0.00000 0.00000
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17 10PY 0.00000 -2.23038 0.00000 0.00000 -6.41312
18 10PZ 17.42930 0.00000 0.00000 0.00000 0.00000
19 11PX 0.00000 0.00000 -0.04481 0.52314 0.00000
20 11PY 0.00000 -0.04481 0.00000 0.00000 -0.52314
21 11PZ 0.99877 0.00000 0.00000 0.00000 0.00000
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24 12D-1 0.00000 0.04006 0.00000 0.00000 -0.04178
25 12D+2 0.00000 -0.01135 0.00000 0.00000 0.02659
26 12D-2 0.00000 0.00000 -0.01135 -0.02659 0.00000
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28 13D+1 0.00000 0.00000 -0.59321 -0.69665 0.00000
29 13D-1 0.00000 -0.59321 0.00000 0.00000 0.69665
30 13D+2 0.00000 0.36542 0.00000 0.00000 0.02652
31 13D-2 0.00000 0.00000 0.36542 -0.02652 0.00000
32 14D 0 -1.60320 0.00000 0.00000 0.00000 0.00000
33 14D+1 0.00000 0.00000 1.81033 3.58289 0.00000
34 14D-1 0.00000 1.81033 0.00000 0.00000 -3.58289
35 14D+2 0.00000 1.09933 0.00000 0.00000 5.27855
36 14D-2 0.00000 0.00000 1.09933 -5.27855 0.00000
37 15D 0 -1.65402 0.00000 0.00000 0.00000 0.00000
38 15D+1 0.00000 0.00000 1.03312 0.97241 0.00000
39 15D-1 0.00000 1.03312 0.00000 0.00000 -0.97241
40 15D+2 0.00000 2.47934 0.00000 0.00000 3.17049
41 15D-2 0.00000 0.00000 2.47934 -3.17049 0.00000
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43 16F+1 0.00000 0.00000 0.02806 0.00327 0.00000
44 16F-1 0.00000 0.02806 0.00000 0.00000 -0.00327
45 16F+2 0.00000 0.03378 0.00000 0.00000 -0.02620
46 16F-2 0.00000 0.00000 0.03378 0.02620 0.00000
47 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000
48 16F-3 -0.05793 0.00000 0.00000 0.00000 0.00000
49 17F 0 2.11740 0.00000 0.00000 0.00000 0.00000
50 17F+1 0.00000 0.00000 -0.93934 0.59168 0.00000
51 17F-1 0.00000 -0.93934 0.00000 0.00000 -0.59168
52 17F+2 0.00000 -0.67934 0.00000 0.00000 -0.77297
53 17F-2 0.00000 0.00000 -0.67934 0.77297 0.00000
54 17F+3 0.00000 0.00000 0.00000 0.00000 0.00000
55 17F-3 0.79714 0.00000 0.00000 0.00000 0.00000
56 18F 0 -1.89634 0.00000 0.00000 0.00000 0.00000
57 18F+1 0.00000 0.00000 -3.35307 1.58971 0.00000
58 18F-1 0.00000 -3.35307 0.00000 0.00000 -1.58971
59 18F+2 0.00000 -0.21763 0.00000 0.00000 -0.59055
60 18F-2 0.00000 0.00000 -0.21763 0.59055 0.00000
61 18F+3 0.00000 0.00000 0.00000 0.00000 0.00000
62 18F-3 0.04158 0.00000 0.00000 0.00000 0.00000
63 19G 0 -0.01506 0.00000 0.00000 0.00000 0.00000
64 19G+1 0.00000 0.00000 0.05581 -0.03290 0.00000
65 19G-1 0.00000 0.05581 0.00000 0.00000 0.03290
66 19G+2 0.00000 0.11708 0.00000 0.00000 -0.06603
67 19G-2 0.00000 0.00000 0.11708 0.06603 0.00000
68 19G+3 0.00000 0.00000 0.00000 0.00000 0.00000
69 19G-3 -0.09721 0.00000 0.00000 0.00000 0.00000
70 19G+4 0.00000 0.07331 0.00000 0.00000 0.00453
71 19G-4 0.00000 0.00000 -0.07331 0.00453 0.00000
72 20G 0 -1.71626 0.00000 0.00000 0.00000 0.00000
73 20G+1 0.00000 0.00000 -1.67320 0.78065 0.00000
74 20G-1 0.00000 -1.67320 0.00000 0.00000 -0.78065
75 20G+2 0.00000 -0.50849 0.00000 0.00000 0.82945
76 20G-2 0.00000 0.00000 -0.50849 -0.82945 0.00000
77 20G+3 0.00000 0.00000 0.00000 0.00000 0.00000
78 20G-3 0.55850 0.00000 0.00000 0.00000 0.00000
79 20G+4 0.00000 -0.42886 0.00000 0.00000 0.03128
80 20G-4 0.00000 0.00000 0.42886 0.03128 0.00000
81 2 C 1S -0.03753 0.00000 0.00000 0.00000 0.00000
82 2S 0.10357 0.00000 0.00000 0.00000 0.00000
83 3S 0.30533 0.00000 0.00000 0.00000 0.00000
84 4S 9.28582 0.00000 0.00000 0.00000 0.00000
85 5S -8.16699 0.00000 0.00000 0.00000 0.00000
86 6S -0.81133 0.00000 0.00000 0.00000 0.00000
87 7PX 0.00000 0.00000 -0.05682 -0.02366 0.00000
88 7PY 0.00000 -0.05682 0.00000 0.00000 0.02366
89 7PZ 0.08027 0.00000 0.00000 0.00000 0.00000
90 8PX 0.00000 0.00000 -0.03396 -1.34103 0.00000
91 8PY 0.00000 -0.03396 0.00000 0.00000 1.34103
92 8PZ -0.40189 0.00000 0.00000 0.00000 0.00000
93 9PX 0.00000 0.00000 -4.12171 -1.90268 0.00000
94 9PY 0.00000 -4.12171 0.00000 0.00000 1.90268
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96 10PX 0.00000 0.00000 2.23038 6.41312 0.00000
97 10PY 0.00000 2.23038 0.00000 0.00000 -6.41312
98 10PZ 17.42930 0.00000 0.00000 0.00000 0.00000
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101 11PZ 0.99877 0.00000 0.00000 0.00000 0.00000
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104 12D-1 0.00000 0.04006 0.00000 0.00000 0.04178
105 12D+2 0.00000 -0.01135 0.00000 0.00000 -0.02659
106 12D-2 0.00000 0.00000 -0.01135 0.02659 0.00000
107 13D 0 1.90600 0.00000 0.00000 0.00000 0.00000
108 13D+1 0.00000 0.00000 -0.59321 0.69665 0.00000
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110 13D+2 0.00000 0.36542 0.00000 0.00000 -0.02652
111 13D-2 0.00000 0.00000 0.36542 0.02652 0.00000
112 14D 0 1.60320 0.00000 0.00000 0.00000 0.00000
113 14D+1 0.00000 0.00000 1.81033 -3.58289 0.00000
114 14D-1 0.00000 1.81033 0.00000 0.00000 3.58289
115 14D+2 0.00000 1.09933 0.00000 0.00000 -5.27855
116 14D-2 0.00000 0.00000 1.09933 5.27855 0.00000
117 15D 0 1.65402 0.00000 0.00000 0.00000 0.00000
118 15D+1 0.00000 0.00000 1.03312 -0.97241 0.00000
119 15D-1 0.00000 1.03312 0.00000 0.00000 0.97241
120 15D+2 0.00000 2.47934 0.00000 0.00000 -3.17049
121 15D-2 0.00000 0.00000 2.47934 3.17049 0.00000
122 16F 0 -0.07545 0.00000 0.00000 0.00000 0.00000
123 16F+1 0.00000 0.00000 -0.02806 0.00327 0.00000
124 16F-1 0.00000 -0.02806 0.00000 0.00000 -0.00327
125 16F+2 0.00000 -0.03378 0.00000 0.00000 -0.02620
126 16F-2 0.00000 0.00000 -0.03378 0.02620 0.00000
127 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000
128 16F-3 -0.05793 0.00000 0.00000 0.00000 0.00000
129 17F 0 2.11740 0.00000 0.00000 0.00000 0.00000
130 17F+1 0.00000 0.00000 0.93934 0.59168 0.00000
131 17F-1 0.00000 0.93934 0.00000 0.00000 -0.59168
132 17F+2 0.00000 0.67934 0.00000 0.00000 -0.77297
133 17F-2 0.00000 0.00000 0.67934 0.77297 0.00000
134 17F+3 0.00000 0.00000 0.00000 0.00000 0.00000
135 17F-3 0.79714 0.00000 0.00000 0.00000 0.00000
136 18F 0 -1.89634 0.00000 0.00000 0.00000 0.00000
137 18F+1 0.00000 0.00000 3.35307 1.58971 0.00000
138 18F-1 0.00000 3.35307 0.00000 0.00000 -1.58971
139 18F+2 0.00000 0.21763 0.00000 0.00000 -0.59055
140 18F-2 0.00000 0.00000 0.21763 0.59055 0.00000
141 18F+3 0.00000 0.00000 0.00000 0.00000 0.00000
142 18F-3 0.04158 0.00000 0.00000 0.00000 0.00000
143 19G 0 0.01506 0.00000 0.00000 0.00000 0.00000
144 19G+1 0.00000 0.00000 0.05581 0.03290 0.00000
145 19G-1 0.00000 0.05581 0.00000 0.00000 -0.03290
146 19G+2 0.00000 0.11708 0.00000 0.00000 0.06603
147 19G-2 0.00000 0.00000 0.11708 -0.06603 0.00000
148 19G+3 0.00000 0.00000 0.00000 0.00000 0.00000
149 19G-3 0.09721 0.00000 0.00000 0.00000 0.00000
150 19G+4 0.00000 0.07331 0.00000 0.00000 -0.00453
151 19G-4 0.00000 0.00000 -0.07331 -0.00453 0.00000
152 20G 0 1.71626 0.00000 0.00000 0.00000 0.00000
153 20G+1 0.00000 0.00000 -1.67320 -0.78065 0.00000
154 20G-1 0.00000 -1.67320 0.00000 0.00000 0.78065
155 20G+2 0.00000 -0.50849 0.00000 0.00000 -0.82945
156 20G-2 0.00000 0.00000 -0.50849 0.82945 0.00000
157 20G+3 0.00000 0.00000 0.00000 0.00000 0.00000
158 20G-3 -0.55850 0.00000 0.00000 0.00000 0.00000
159 20G+4 0.00000 -0.42886 0.00000 0.00000 -0.03128
160 20G-4 0.00000 0.00000 0.42886 -0.03128 0.00000
161 3 H 1S -0.02670 0.02915 0.00000 0.00000 0.03221
162 2S 0.90352 -0.93875 0.00000 0.00000 0.34474
163 3S -4.55596 -3.35024 0.00000 0.00000 1.46931
164 4S -8.66215 4.20202 0.00000 0.00000 7.23534
165 5S -0.48894 -0.00058 0.00000 0.00000 0.45920
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167 6PY -0.06215 0.01538 0.00000 0.00000 0.01615
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170 7PY 0.63924 0.03086 0.00000 0.00000 -0.23628
171 7PZ -0.47158 -0.44127 0.00000 0.00000 0.07337
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173 8PY 0.50058 0.23520 0.00000 0.00000 2.42938
174 8PZ -1.53481 2.70178 0.00000 0.00000 2.50712
175 9PX 0.00000 0.00000 -2.29832 1.33395 0.00000
176 9PY 1.14788 0.31291 0.00000 0.00000 0.48553
177 9PZ 0.34810 -0.93369 0.00000 0.00000 0.35496
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181 10D+2 0.02474 0.03465 0.00000 0.00000 -0.03325
182 10D-2 0.00000 0.00000 -0.00831 0.00733 0.00000
183 11D 0 0.11726 0.69835 0.00000 0.00000 0.79920
184 11D+1 0.00000 0.00000 0.65386 -0.60163 0.00000
185 11D-1 0.49124 -0.85801 0.00000 0.00000 -1.11014
186 11D+2 -0.03899 -0.78029 0.00000 0.00000 0.63108
187 11D-2 0.00000 0.00000 0.19473 -0.09011 0.00000
188 12D 0 -0.38660 1.41020 0.00000 0.00000 0.88031
189 12D+1 0.00000 0.00000 1.15985 -1.25133 0.00000
190 12D-1 0.37141 -0.85823 0.00000 0.00000 -1.31292
191 12D+2 -0.82525 -0.51782 0.00000 0.00000 0.83399
192 12D-2 0.00000 0.00000 0.35404 -0.23236 0.00000
193 13F 0 -0.01003 -0.00217 0.00000 0.00000 -0.02304
194 13F+1 0.00000 0.00000 -0.01895 -0.01982 0.00000
195 13F-1 -0.00758 0.03703 0.00000 0.00000 -0.02330
196 13F+2 -0.02599 0.00116 0.00000 0.00000 -0.01468
197 13F-2 0.00000 0.00000 0.00162 -0.02954 0.00000
198 13F+3 0.00000 0.00000 0.01683 -0.00459 0.00000
199 13F-3 -0.03681 0.04292 0.00000 0.00000 -0.02494
200 14F 0 0.43318 -0.65509 0.00000 0.00000 -0.28452
201 14F+1 0.00000 0.00000 0.30891 0.13409 0.00000
202 14F-1 0.19248 -0.39744 0.00000 0.00000 -0.41286
203 14F+2 -0.03043 -0.23965 0.00000 0.00000 -0.38990
204 14F-2 0.00000 0.00000 -0.64631 0.50307 0.00000
205 14F+3 0.00000 0.00000 -0.21096 0.11124 0.00000
206 14F-3 0.33245 0.38142 0.00000 0.00000 -0.15006
207 4 H 1S -0.02670 -0.01458 -0.02525 0.02790 -0.01611
208 2S 0.90352 0.46937 0.81298 0.29855 -0.17237
209 3S -4.55596 1.67512 2.90139 1.27246 -0.73465
210 4S -8.66215 -2.10101 -3.63905 6.26598 -3.61767
211 5S -0.48894 0.00029 0.00050 0.39768 -0.22960
212 6PX 0.05383 0.01261 0.00810 -0.01212 0.00697
213 6PY 0.03108 -0.00646 0.01261 -0.00697 0.00407
214 6PZ 0.02488 -0.01856 -0.03215 0.00046 -0.00026
215 7PX -0.55360 -0.06830 0.07029 0.16733 -0.11942
216 7PY -0.31962 0.14916 -0.06830 0.11942 -0.02943
217 7PZ -0.47158 0.22063 0.38215 0.06354 -0.03669
218 8PX -0.43351 0.84868 -0.25478 -1.49122 1.62495
219 8PY -0.25029 -1.23475 0.84868 -1.62495 -0.38511
220 8PZ -1.53481 -1.35089 -2.33981 2.17123 -1.25356
221 9PX -0.99409 1.13070 -0.33990 -0.03066 0.78786
222 9PY -0.57394 -1.64552 1.13070 -0.78786 -0.87908
223 9PZ 0.34810 0.46684 0.80860 0.30741 -0.17748
224 10D 0 0.00536 0.02690 0.04659 -0.04205 0.02428
225 10D+1 0.02884 0.03947 0.02631 -0.03423 0.04787
226 10D-1 0.01665 -0.01927 0.03947 -0.04787 -0.02104
227 10D+2 -0.01237 0.00243 0.01860 0.01122 -0.01381
228 10D-2 -0.02143 0.01860 0.02391 0.02677 -0.01122
229 11D 0 0.11726 -0.34918 -0.60479 0.69213 -0.39960
230 11D+1 -0.42543 -0.65466 -0.48004 0.68220 -0.74122
231 11D-1 -0.24562 0.27590 -0.65466 0.74122 0.17369
232 11D+2 0.01949 -0.04902 -0.42220 -0.23424 0.22535
233 11D-2 0.03377 -0.42220 -0.53654 -0.49584 0.23424
234 12D 0 -0.38660 -0.70510 -1.22127 0.76237 -0.44016
235 12D+1 -0.32165 -0.87385 -0.35371 0.67186 -1.11036
236 12D-1 -0.18570 0.65533 -0.87385 1.11036 0.61027
237 12D+2 0.41262 0.13608 -0.37753 -0.26052 0.38276
238 12D-2 0.71468 -0.37753 -0.29985 -0.68358 0.26052
239 13F 0 -0.01003 0.00108 0.00188 -0.01996 0.01152
240 13F+1 0.00656 0.02424 0.02304 0.01252 -0.01867
241 13F-1 0.00379 -0.00495 0.02424 0.01867 0.00904
242 13F+2 0.01299 0.00151 -0.00020 0.01915 0.01848
243 13F-2 0.02251 -0.00020 0.00128 0.00363 -0.01915
244 13F+3 0.00000 0.01458 -0.00842 0.00230 0.00398
245 13F-3 -0.03681 -0.02146 -0.03717 -0.02159 0.01247
246 14F 0 0.43318 0.32755 0.56733 -0.24640 0.14226
247 14F+1 -0.16669 -0.30586 -0.22085 0.34317 -0.12071
248 14F-1 -0.09624 0.13232 -0.30586 0.12071 -0.20378
249 14F+2 0.01521 -0.54465 0.17609 -0.04901 -0.47478
250 14F-2 0.02635 0.17609 -0.34132 0.41819 0.04901
251 14F+3 0.00000 -0.18269 0.10548 -0.05562 -0.09634
252 14F-3 0.33245 -0.19071 -0.33032 -0.12995 0.07503
253 5 H 1S -0.02670 -0.01458 0.02525 -0.02790 -0.01611
254 2S 0.90352 0.46937 -0.81298 -0.29855 -0.17237
255 3S -4.55596 1.67512 -2.90139 -1.27246 -0.73465
256 4S -8.66215 -2.10101 3.63905 -6.26598 -3.61767
257 5S -0.48894 0.00029 -0.00050 -0.39768 -0.22960
258 6PX -0.05383 -0.01261 0.00810 -0.01212 -0.00697
259 6PY 0.03108 -0.00646 -0.01261 0.00697 0.00407
260 6PZ 0.02488 -0.01856 0.03215 -0.00046 -0.00026
261 7PX 0.55360 0.06830 0.07029 0.16733 0.11942
262 7PY -0.31962 0.14916 0.06830 -0.11942 -0.02943
263 7PZ -0.47158 0.22063 -0.38215 -0.06354 -0.03669
264 8PX 0.43351 -0.84868 -0.25478 -1.49122 -1.62495
265 8PY -0.25029 -1.23475 -0.84868 1.62495 -0.38511
266 8PZ -1.53481 -1.35089 2.33981 -2.17123 -1.25356
267 9PX 0.99409 -1.13070 -0.33990 -0.03066 -0.78786
268 9PY -0.57394 -1.64552 -1.13070 0.78786 -0.87908
269 9PZ 0.34810 0.46684 -0.80860 -0.30741 -0.17748
270 10D 0 0.00536 0.02690 -0.04659 0.04205 0.02428
271 10D+1 -0.02884 -0.03947 0.02631 -0.03423 -0.04787
272 10D-1 0.01665 -0.01927 -0.03947 0.04787 -0.02104
273 10D+2 -0.01237 0.00243 -0.01860 -0.01122 -0.01381
274 10D-2 0.02143 -0.01860 0.02391 0.02677 0.01122
275 11D 0 0.11726 -0.34918 0.60479 -0.69213 -0.39960
276 11D+1 0.42543 0.65466 -0.48004 0.68220 0.74122
277 11D-1 -0.24562 0.27590 0.65466 -0.74122 0.17369
278 11D+2 0.01949 -0.04902 0.42220 0.23424 0.22535
279 11D-2 -0.03377 0.42220 -0.53654 -0.49584 -0.23424
280 12D 0 -0.38660 -0.70510 1.22127 -0.76237 -0.44016
281 12D+1 0.32165 0.87385 -0.35371 0.67186 1.11036
282 12D-1 -0.18570 0.65533 0.87385 -1.11036 0.61027
283 12D+2 0.41262 0.13608 0.37753 0.26052 0.38276
284 12D-2 -0.71468 0.37753 -0.29985 -0.68358 -0.26052
285 13F 0 -0.01003 0.00108 -0.00188 0.01996 0.01152
286 13F+1 -0.00656 -0.02424 0.02304 0.01252 0.01867
287 13F-1 0.00379 -0.00495 -0.02424 -0.01867 0.00904
288 13F+2 0.01299 0.00151 0.00020 -0.01915 0.01848
289 13F-2 -0.02251 0.00020 0.00128 0.00363 0.01915
290 13F+3 0.00000 -0.01458 -0.00842 0.00230 -0.00398
291 13F-3 -0.03681 -0.02146 0.03717 0.02159 0.01247
292 14F 0 0.43318 0.32755 -0.56733 0.24640 0.14226
293 14F+1 0.16669 0.30586 -0.22085 0.34317 0.12071
294 14F-1 -0.09624 0.13232 0.30586 -0.12071 -0.20378
295 14F+2 0.01521 -0.54465 -0.17609 0.04901 -0.47478
296 14F-2 -0.02635 -0.17609 -0.34132 0.41819 -0.04901
297 14F+3 0.00000 0.18269 0.10548 -0.05562 0.09634
298 14F-3 0.33245 -0.19071 0.33032 0.12995 0.07503
299 6 H 1S 0.02670 0.02915 0.00000 0.00000 -0.03221
300 2S -0.90352 -0.93875 0.00000 0.00000 -0.34474
301 3S 4.55596 -3.35024 0.00000 0.00000 -1.46931
302 4S 8.66215 4.20202 0.00000 0.00000 -7.23534
303 5S 0.48894 -0.00058 0.00000 0.00000 -0.45920
304 6PX 0.00000 0.00000 0.01374 -0.00005 0.00000
305 6PY -0.06215 -0.01538 0.00000 0.00000 0.01615
306 6PZ 0.02488 -0.03713 0.00000 0.00000 0.00053
307 7PX 0.00000 0.00000 -0.18859 -0.03952 0.00000
308 7PY 0.63924 -0.03086 0.00000 0.00000 -0.23628
309 7PZ -0.47158 0.44127 0.00000 0.00000 0.07337
310 8PX 0.00000 0.00000 1.72474 1.32327 0.00000
311 8PY 0.50058 -0.23520 0.00000 0.00000 2.42938
312 8PZ -1.53481 -2.70178 0.00000 0.00000 2.50712
313 9PX 0.00000 0.00000 2.29832 1.33395 0.00000
314 9PY 1.14788 -0.31291 0.00000 0.00000 0.48553
315 9PZ 0.34810 0.93369 0.00000 0.00000 0.35496
316 10D 0 -0.00536 -0.05380 0.00000 0.00000 0.04856
317 10D+1 0.00000 0.00000 -0.04206 -0.04868 0.00000
318 10D-1 0.03330 0.04910 0.00000 0.00000 -0.06187
319 10D+2 -0.02474 0.03465 0.00000 0.00000 0.03325
320 10D-2 0.00000 0.00000 -0.00831 -0.00733 0.00000
321 11D 0 -0.11726 0.69835 0.00000 0.00000 -0.79920
322 11D+1 0.00000 0.00000 0.65386 0.60163 0.00000
323 11D-1 -0.49124 -0.85801 0.00000 0.00000 1.11014
324 11D+2 0.03899 -0.78029 0.00000 0.00000 -0.63108
325 11D-2 0.00000 0.00000 0.19473 0.09011 0.00000
326 12D 0 0.38660 1.41020 0.00000 0.00000 -0.88031
327 12D+1 0.00000 0.00000 1.15985 1.25133 0.00000
328 12D-1 -0.37141 -0.85823 0.00000 0.00000 1.31292
329 12D+2 0.82525 -0.51782 0.00000 0.00000 -0.83399
330 12D-2 0.00000 0.00000 0.35404 0.23236 0.00000
331 13F 0 -0.01003 0.00217 0.00000 0.00000 -0.02304
332 13F+1 0.00000 0.00000 0.01895 -0.01982 0.00000
333 13F-1 -0.00758 -0.03703 0.00000 0.00000 -0.02330
334 13F+2 -0.02599 -0.00116 0.00000 0.00000 -0.01468
335 13F-2 0.00000 0.00000 -0.00162 -0.02954 0.00000
336 13F+3 0.00000 0.00000 -0.01683 -0.00459 0.00000
337 13F-3 -0.03681 -0.04292 0.00000 0.00000 -0.02494
338 14F 0 0.43318 0.65509 0.00000 0.00000 -0.28452
339 14F+1 0.00000 0.00000 -0.30891 0.13409 0.00000
340 14F-1 0.19248 0.39744 0.00000 0.00000 -0.41286
341 14F+2 -0.03043 0.23965 0.00000 0.00000 -0.38990
342 14F-2 0.00000 0.00000 0.64631 0.50307 0.00000
343 14F+3 0.00000 0.00000 0.21096 0.11124 0.00000
344 14F-3 0.33245 -0.38142 0.00000 0.00000 -0.15006
345 7 H 1S 0.02670 -0.01458 0.02525 0.02790 0.01611
346 2S -0.90352 0.46937 -0.81298 0.29855 0.17237
347 3S 4.55596 1.67512 -2.90139 1.27246 0.73465
348 4S 8.66215 -2.10101 3.63905 6.26598 3.61767
349 5S 0.48894 0.00029 -0.00050 0.39768 0.22960
350 6PX -0.05383 0.01261 -0.00810 -0.01212 -0.00697
351 6PY 0.03108 0.00646 0.01261 0.00697 0.00407
352 6PZ 0.02488 0.01856 -0.03215 -0.00046 -0.00026
353 7PX 0.55360 -0.06830 -0.07029 0.16733 0.11942
354 7PY -0.31962 -0.14916 -0.06830 -0.11942 -0.02943
355 7PZ -0.47158 -0.22063 0.38215 -0.06354 -0.03669
356 8PX 0.43351 0.84868 0.25478 -1.49122 -1.62495
357 8PY -0.25029 1.23475 0.84868 1.62495 -0.38511
358 8PZ -1.53481 1.35089 -2.33981 -2.17123 -1.25356
359 9PX 0.99409 1.13070 0.33990 -0.03066 -0.78786
360 9PY -0.57394 1.64552 1.13070 0.78786 -0.87908
361 9PZ 0.34810 -0.46684 0.80860 -0.30741 -0.17748
362 10D 0 -0.00536 0.02690 -0.04659 -0.04205 -0.02428
363 10D+1 0.02884 -0.03947 0.02631 0.03423 0.04787
364 10D-1 -0.01665 -0.01927 -0.03947 -0.04787 0.02104
365 10D+2 0.01237 0.00243 -0.01860 0.01122 0.01381
366 10D-2 -0.02143 -0.01860 0.02391 -0.02677 -0.01122
367 11D 0 -0.11726 -0.34918 0.60479 0.69213 0.39960
368 11D+1 -0.42543 0.65466 -0.48004 -0.68220 -0.74122
369 11D-1 0.24562 0.27590 0.65466 0.74122 -0.17369
370 11D+2 -0.01949 -0.04902 0.42220 -0.23424 -0.22535
371 11D-2 0.03377 0.42220 -0.53654 0.49584 0.23424
372 12D 0 0.38660 -0.70510 1.22127 0.76237 0.44016
373 12D+1 -0.32165 0.87385 -0.35371 -0.67186 -1.11036
374 12D-1 0.18570 0.65533 0.87385 1.11036 -0.61027
375 12D+2 -0.41262 0.13608 0.37753 -0.26052 -0.38276
376 12D-2 0.71468 0.37753 -0.29985 0.68358 0.26052
377 13F 0 -0.01003 -0.00108 0.00188 0.01996 0.01152
378 13F+1 -0.00656 0.02424 -0.02304 0.01252 0.01867
379 13F-1 0.00379 0.00495 0.02424 -0.01867 0.00904
380 13F+2 0.01299 -0.00151 -0.00020 -0.01915 0.01848
381 13F-2 -0.02251 -0.00020 -0.00128 0.00363 0.01915
382 13F+3 0.00000 0.01458 0.00842 0.00230 -0.00398
383 13F-3 -0.03681 0.02146 -0.03717 0.02159 0.01247
384 14F 0 0.43318 -0.32755 0.56733 0.24640 0.14226
385 14F+1 0.16669 -0.30586 0.22085 0.34317 0.12071
386 14F-1 -0.09624 -0.13232 -0.30586 -0.12071 -0.20378
387 14F+2 0.01521 0.54465 0.17609 0.04901 -0.47478
388 14F-2 -0.02635 0.17609 0.34132 0.41819 -0.04901
389 14F+3 0.00000 -0.18269 -0.10548 -0.05562 0.09634
390 14F-3 0.33245 0.19071 -0.33032 0.12995 0.07503
391 8 H 1S 0.02670 -0.01458 -0.02525 -0.02790 0.01611
392 2S -0.90352 0.46937 0.81298 -0.29855 0.17237
393 3S 4.55596 1.67512 2.90139 -1.27246 0.73465
394 4S 8.66215 -2.10101 -3.63905 -6.26598 3.61767
395 5S 0.48894 0.00029 0.00050 -0.39768 0.22960
396 6PX 0.05383 -0.01261 -0.00810 -0.01212 0.00697
397 6PY 0.03108 0.00646 -0.01261 -0.00697 0.00407
398 6PZ 0.02488 0.01856 0.03215 0.00046 -0.00026
399 7PX -0.55360 0.06830 -0.07029 0.16733 -0.11942
400 7PY -0.31962 -0.14916 0.06830 0.11942 -0.02943
401 7PZ -0.47158 -0.22063 -0.38215 0.06354 -0.03669
402 8PX -0.43351 -0.84868 0.25478 -1.49122 1.62495
403 8PY -0.25029 1.23475 -0.84868 -1.62495 -0.38511
404 8PZ -1.53481 1.35089 2.33981 2.17123 -1.25356
405 9PX -0.99409 -1.13070 0.33990 -0.03066 0.78786
406 9PY -0.57394 1.64552 -1.13070 -0.78786 -0.87908
407 9PZ 0.34810 -0.46684 -0.80860 0.30741 -0.17748
408 10D 0 -0.00536 0.02690 0.04659 0.04205 -0.02428
409 10D+1 -0.02884 0.03947 0.02631 0.03423 -0.04787
410 10D-1 -0.01665 -0.01927 0.03947 0.04787 0.02104
411 10D+2 0.01237 0.00243 0.01860 -0.01122 0.01381
412 10D-2 0.02143 0.01860 0.02391 -0.02677 0.01122
413 11D 0 -0.11726 -0.34918 -0.60479 -0.69213 0.39960
414 11D+1 0.42543 -0.65466 -0.48004 -0.68220 0.74122
415 11D-1 0.24562 0.27590 -0.65466 -0.74122 -0.17369
416 11D+2 -0.01949 -0.04902 -0.42220 0.23424 -0.22535
417 11D-2 -0.03377 -0.42220 -0.53654 0.49584 -0.23424
418 12D 0 0.38660 -0.70510 -1.22127 -0.76237 0.44016
419 12D+1 0.32165 -0.87385 -0.35371 -0.67186 1.11036
420 12D-1 0.18570 0.65533 -0.87385 -1.11036 -0.61027
421 12D+2 -0.41262 0.13608 -0.37753 0.26052 -0.38276
422 12D-2 -0.71468 -0.37753 -0.29985 0.68358 -0.26052
423 13F 0 -0.01003 -0.00108 -0.00188 -0.01996 0.01152
424 13F+1 0.00656 -0.02424 -0.02304 0.01252 -0.01867
425 13F-1 0.00379 0.00495 -0.02424 0.01867 0.00904
426 13F+2 0.01299 -0.00151 0.00020 0.01915 0.01848
427 13F-2 0.02251 0.00020 -0.00128 0.00363 -0.01915
428 13F+3 0.00000 -0.01458 0.00842 0.00230 0.00398
429 13F-3 -0.03681 0.02146 0.03717 -0.02159 0.01247
430 14F 0 0.43318 -0.32755 -0.56733 -0.24640 0.14226
431 14F+1 -0.16669 0.30586 0.22085 0.34317 -0.12071
432 14F-1 -0.09624 -0.13232 0.30586 0.12071 -0.20378
433 14F+2 0.01521 0.54465 -0.17609 -0.04901 -0.47478
434 14F-2 0.02635 -0.17609 0.34132 0.41819 0.04901
435 14F+3 0.00000 0.18269 -0.10548 -0.05562 -0.09634
436 14F-3 0.33245 0.19071 0.33032 -0.12995 0.07503
256 257 258 259 260
(A2U)--V (A2U)--V (EG)--V (EG)--V (A1G)--V
Eigenvalues -- 4.06732 4.08723 4.09508 4.09508 4.13137
1 1 C 1S 0.00353 -0.00431 0.00000 0.00000 -0.03378
2 2S -0.09805 -0.13419 0.00000 0.00000 0.03034
3 3S -3.12136 -6.51217 0.00000 0.00000 -2.18765
4 4S 14.37428 36.83886 0.00000 0.00000 14.72045
5 5S 12.61132 45.45466 0.00000 0.00000 16.92495
6 6S 3.19156 10.10142 0.00000 0.00000 1.33130
7 7PX 0.00000 0.00000 0.04852 0.00000 0.00000
8 7PY 0.00000 0.00000 0.00000 0.04852 0.00000
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426 13F+2 0.00535 0.02310 0.02090 0.01291 0.00092
427 13F-2 0.00926 0.04001 0.03705 0.02090 0.00160
428 13F+3 0.00000 0.00000 -0.00120 0.00209 0.00000
429 13F-3 -0.02543 -0.02267 -0.03228 -0.01864 0.00122
430 14F 0 -0.33077 0.15756 0.20283 0.11710 -0.38749
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435 14F+3 0.00000 0.00000 -0.03095 0.05360 0.00000
436 14F-3 0.65355 -0.03327 0.16909 0.09763 0.55816
261 262 263 264 265
(A1G)--V (EG)--V (EG)--V (EU)--V (EU)--V
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333 13F-1 -0.00011 0.00000 0.00560 0.02420 0.00000
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337 13F-3 0.03167 0.00000 -0.03972 0.05912 0.00000
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347 3S -15.58824 3.12065 -1.80171 8.03861 13.92328
348 4S -7.55641 -5.76783 3.33006 6.86827 11.89619
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356 8PX -3.76209 3.84419 -2.27485 3.80079 4.24970
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365 10D+2 -0.00371 -0.03948 0.01782 -0.03102 0.01668
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369 11D-1 0.29505 -0.30134 -0.13643 -0.26335 -0.35626
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374 12D-1 0.14939 -0.41195 -0.11154 -0.32933 0.37506
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377 13F 0 0.01447 -0.01194 0.00689 -0.03186 -0.05518
378 13F+1 -0.00010 0.00456 -0.00180 -0.00786 -0.01967
379 13F-1 0.00006 -0.00180 0.00249 0.01059 0.00786
380 13F+2 -0.01500 0.01901 0.01296 0.02542 0.00957
381 13F-2 0.02598 -0.00899 0.01901 -0.00957 -0.03647
382 13F+3 0.00000 0.00366 0.00635 0.00243 -0.00140
383 13F-3 0.03167 -0.03440 0.01986 -0.02956 -0.05120
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386 14F-1 -0.04414 -0.22389 -0.19910 -0.06566 0.08526
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422 12D-2 0.31763 -1.11489 -0.61038 0.08482 -0.29319
423 13F 0 0.01447 0.01194 0.00689 -0.03186 0.05518
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426 13F+2 -0.01500 -0.01901 0.01296 0.02542 -0.00957
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428 13F+3 0.00000 0.00366 -0.00635 -0.00243 -0.00140
429 13F-3 0.03167 0.03440 0.01986 -0.02956 0.05120
430 14F 0 0.23093 0.05322 0.03073 0.16570 -0.28701
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434 14F-2 -0.15518 -0.20816 -0.08234 0.16342 0.03364
435 14F+3 0.00000 0.03658 -0.06336 0.10272 0.05931
436 14F-3 -0.11510 0.43227 0.24957 0.03718 -0.06440
266 267 268 269 270
(A1G)--V (EU)--V (EU)--V (EG)--V (EG)--V
Eigenvalues -- 4.33988 4.40148 4.40148 4.44163 4.44163
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12 8PZ 0.13360 0.00000 0.00000 0.00000 0.00000
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15 9PZ 3.84990 0.00000 0.00000 0.00000 0.00000
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31 13D-2 0.00000 0.96641 0.00000 0.46919 0.00000
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35 14D+2 0.00000 0.00000 5.64010 0.00000 0.69754
36 14D-2 0.00000 5.64010 0.00000 -0.69754 0.00000
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48 16F-3 -0.06342 0.00000 0.00000 0.00000 0.00000
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51 17F-1 0.00000 0.00000 -0.63139 0.00000 2.11004
52 17F+2 0.00000 0.00000 -1.19296 0.00000 1.10948
53 17F-2 0.00000 -1.19296 0.00000 -1.10948 0.00000
54 17F+3 0.00000 0.00000 0.00000 0.00000 0.00000
55 17F-3 1.76301 0.00000 0.00000 0.00000 0.00000
56 18F 0 -0.28967 0.00000 0.00000 0.00000 0.00000
57 18F+1 0.00000 -0.13757 0.00000 -1.36072 0.00000
58 18F-1 0.00000 0.00000 -0.13757 0.00000 1.36072
59 18F+2 0.00000 0.00000 -2.28490 0.00000 0.74665
60 18F-2 0.00000 -2.28490 0.00000 -0.74665 0.00000
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247 14F+1 0.24269 -0.13508 -0.20674 -0.28382 0.23747
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250 14F-2 -0.03452 -0.25254 -0.03587 0.24654 -0.13586
251 14F+3 0.00000 0.24390 0.42244 -0.02516 -0.04358
252 14F-3 -0.21869 0.01609 -0.00929 -0.27662 0.15970
253 5 H 1S 0.00767 0.02013 0.01162 -0.02084 -0.01203
254 2S -2.50909 -3.59293 -2.07438 -0.94720 -0.54687
255 3S -20.33282 3.47698 2.00744 -25.61931 -14.79132
256 4S -5.63795 -2.54658 -1.47027 -4.58210 -2.64548
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260 6PZ -0.04014 -0.06495 -0.03750 -0.03064 -0.01769
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262 7PY -0.87909 -0.45013 0.39621 -1.09409 -0.33043
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265 8PY -2.01146 1.70834 1.72589 -5.21270 -1.39566
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269 9PZ 0.72572 0.57601 0.33256 -0.06926 -0.03999
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286 13F+1 -0.00184 0.01466 0.00846 -0.01802 -0.00054
287 13F-1 0.00106 -0.00846 -0.00489 0.00054 0.01740
288 13F+2 -0.01197 -0.02221 -0.00873 0.00174 0.02992
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290 13F+3 0.00000 0.00139 -0.00240 0.00259 -0.00449
291 13F-3 -0.01461 0.02918 0.01685 -0.04438 -0.02562
292 14F 0 -0.41759 0.03500 0.02020 0.11645 0.06723
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294 14F-1 0.14012 -0.20674 0.37380 0.23747 0.00962
295 14F+2 -0.01993 -0.03587 0.29396 -0.13586 -0.08966
296 14F-2 0.03452 -0.25254 0.03587 0.24654 0.13586
297 14F+3 0.00000 0.24390 -0.42244 -0.02516 0.04358
298 14F-3 -0.21869 -0.01609 -0.00929 0.27662 0.15970
299 6 H 1S -0.00767 0.00000 0.02324 0.00000 0.02406
300 2S 2.50909 0.00000 -4.14876 0.00000 1.09374
301 3S 20.33282 0.00000 4.01487 0.00000 29.58264
302 4S 5.63795 0.00000 -2.94054 0.00000 5.29096
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324 11D+2 -0.64724 0.00000 -0.64296 0.00000 -1.12250
325 11D-2 0.00000 0.49077 0.00000 0.72403 0.00000
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329 12D+2 -0.46633 0.00000 -0.71778 0.00000 -0.26445
330 12D-2 0.00000 0.36492 0.00000 0.31803 0.00000
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332 13F+1 0.00000 0.00001 0.00000 0.01709 0.00000
333 13F-1 -0.00212 0.00000 -0.01954 0.00000 -0.01833
334 13F+2 0.02393 0.00000 -0.04719 0.00000 -0.03293
335 13F-2 0.00000 -0.00409 0.00000 0.02892 0.00000
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338 14F 0 -0.41759 0.00000 -0.04041 0.00000 0.13447
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342 14F-2 0.00000 -0.31467 0.00000 -0.01122 0.00000
343 14F+3 0.00000 -0.48779 0.00000 -0.05032 0.00000
344 14F-3 -0.21869 0.00000 0.01858 0.00000 0.31941
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346 2S 2.50909 3.59293 2.07438 -0.94720 -0.54687
347 3S 20.33282 -3.47698 -2.00744 -25.61931 -14.79132
348 4S 5.63795 2.54658 1.47027 -4.58210 -2.64548
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369 11D-1 -0.32865 -0.34415 0.76776 -0.09888 0.11723
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377 13F 0 0.03063 0.02331 0.01346 0.00443 0.00256
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379 13F-1 0.00106 -0.00846 -0.00489 -0.00054 -0.01740
380 13F+2 -0.01197 -0.02221 -0.00873 -0.00174 -0.02992
381 13F-2 0.02072 0.03437 0.02221 0.03193 0.00174
382 13F+3 0.00000 0.00139 -0.00240 -0.00259 0.00449
383 13F-3 -0.01461 0.02918 0.01685 0.04438 0.02562
384 14F 0 -0.41759 0.03500 0.02020 -0.11645 -0.06723
385 14F+1 -0.24269 -0.13508 0.20674 0.28382 0.23747
386 14F-1 0.14012 -0.20674 0.37380 -0.23747 -0.00962
387 14F+2 -0.01993 -0.03587 0.29396 0.13586 0.08966
388 14F-2 0.03452 -0.25254 0.03587 -0.24654 -0.13586
389 14F+3 0.00000 0.24390 -0.42244 0.02516 -0.04358
390 14F-3 -0.21869 -0.01609 -0.00929 -0.27662 -0.15970
391 8 H 1S -0.00767 0.02013 -0.01162 0.02084 -0.01203
392 2S 2.50909 -3.59293 2.07438 0.94720 -0.54687
393 3S 20.33282 3.47698 -2.00744 25.61931 -14.79132
394 4S 5.63795 -2.54658 1.47027 4.58210 -2.64548
395 5S 0.30118 -0.42731 0.24671 0.49961 -0.28845
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412 10D-2 0.00432 -0.04241 -0.00569 -0.00681 -0.02293
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420 12D-1 -0.05720 0.34801 1.16767 0.32795 -0.01135
421 12D+2 0.23317 0.15279 -0.45314 -0.02320 -0.30463
422 12D-2 0.40385 0.62956 -0.15279 0.27784 0.02320
423 13F 0 0.03063 -0.02331 0.01346 -0.00443 0.00256
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425 13F-1 0.00106 0.00846 -0.00489 0.00054 -0.01740
426 13F+2 -0.01197 0.02221 -0.00873 0.00174 -0.02992
427 13F-2 -0.02072 0.03437 -0.02221 0.03193 -0.00174
428 13F+3 0.00000 0.00139 0.00240 -0.00259 -0.00449
429 13F-3 -0.01461 -0.02918 0.01685 -0.04438 0.02562
430 14F 0 -0.41759 -0.03500 0.02020 0.11645 -0.06723
431 14F+1 0.24269 -0.13508 -0.20674 0.28382 -0.23747
432 14F-1 0.14012 0.20674 0.37380 0.23747 -0.00962
433 14F+2 -0.01993 0.03587 0.29396 -0.13586 0.08966
434 14F-2 -0.03452 -0.25254 -0.03587 -0.24654 0.13586
435 14F+3 0.00000 0.24390 0.42244 0.02516 0.04358
436 14F-3 -0.21869 0.01609 -0.00929 0.27662 -0.15970
276 277 278 279 280
(A2G)--V (EU)--V (EU)--V (EG)--V (EG)--V
Eigenvalues -- 4.59045 4.69332 4.69332 4.73485 4.73485
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35 14D+2 0.00000 0.00000 4.23320 8.09856 0.00000
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51 17F-1 0.00000 0.00000 1.61478 1.02901 0.00000
52 17F+2 0.00000 0.00000 0.66283 2.47376 0.00000
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54 17F+3 3.02003 0.00000 0.00000 0.00000 0.00000
55 17F-3 0.00000 0.00000 0.00000 0.00000 0.00000
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58 18F-1 0.00000 0.00000 0.20544 1.04569 0.00000
59 18F+2 0.00000 0.00000 -1.83750 2.17332 0.00000
60 18F-2 0.00000 1.83750 0.00000 0.00000 -2.17332
61 18F+3 -0.53547 0.00000 0.00000 0.00000 0.00000
62 18F-3 0.00000 0.00000 0.00000 0.00000 0.00000
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65 19G-1 0.00000 0.00000 0.12369 0.10043 0.00000
66 19G+2 0.00000 0.00000 -0.01729 -0.00065 0.00000
67 19G-2 0.00000 0.01729 0.00000 0.00000 0.00065
68 19G+3 0.24044 0.00000 0.00000 0.00000 0.00000
69 19G-3 0.00000 0.00000 0.00000 0.00000 0.00000
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71 19G-4 0.00000 -0.11298 0.00000 0.00000 -0.00951
72 20G 0 0.00000 0.00000 0.00000 0.00000 0.00000
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74 20G-1 0.00000 0.00000 -0.12109 -0.55148 0.00000
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76 20G-2 0.00000 2.25802 0.00000 0.00000 -0.67247
77 20G+3 -1.98164 0.00000 0.00000 0.00000 0.00000
78 20G-3 0.00000 0.00000 0.00000 0.00000 0.00000
79 20G+4 0.00000 0.00000 1.29976 0.25556 0.00000
80 20G-4 0.00000 1.29976 0.00000 0.00000 0.25556
81 2 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000
82 2S 0.00000 0.00000 0.00000 0.00000 0.00000
83 3S 0.00000 0.00000 0.00000 0.00000 0.00000
84 4S 0.00000 0.00000 0.00000 0.00000 0.00000
85 5S 0.00000 0.00000 0.00000 0.00000 0.00000
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91 8PY 0.00000 0.00000 -0.76293 0.58002 0.00000
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422 12D-2 0.21837 0.24481 0.32232 -0.70148 -0.43628
423 13F 0 0.00000 0.03145 -0.01816 0.00238 -0.00411
424 13F+1 -0.01905 0.00064 0.00360 0.00180 0.01176
425 13F-1 0.03300 -0.00360 -0.00480 -0.01384 -0.00180
426 13F+2 -0.03060 -0.02640 0.00070 -0.00360 0.00247
427 13F-2 0.01767 -0.03118 0.02640 -0.00247 0.00645
428 13F+3 0.04928 -0.01476 -0.02557 -0.01015 -0.00586
429 13F-3 0.00000 -0.00396 0.00229 -0.00102 0.00177
430 14F 0 0.00000 0.09183 -0.05302 0.12331 -0.21358
431 14F+1 0.23292 -0.08491 0.00707 0.10419 -0.00785
432 14F-1 -0.40342 -0.00707 0.07674 -0.11245 -0.10419
433 14F+2 -0.54640 -0.17526 -0.33523 -0.07546 -0.06614
434 14F-2 0.31547 0.13286 0.17526 0.06614 -0.00091
435 14F+3 0.17172 0.12818 0.22201 -0.41120 -0.23741
436 14F-3 0.00000 -0.30871 0.17823 0.10990 -0.19035
281 282 283 284 285
(A1G)--V (A2U)--V (A1U)--V (EG)--V (EG)--V
Eigenvalues -- 4.79586 4.87561 4.94920 4.95948 4.95948
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2 2S -0.15194 -0.19417 0.00000 0.00000 0.00000
3 3S -1.01113 -3.57803 0.00000 0.00000 0.00000
4 4S -7.36635 6.89409 0.00000 0.00000 0.00000
5 5S -3.20166 20.80572 0.00000 0.00000 0.00000
6 6S 0.20534 1.03429 0.00000 0.00000 0.00000
7 7PX 0.00000 0.00000 0.00000 -0.03026 0.00000
8 7PY 0.00000 0.00000 0.00000 0.00000 -0.03026
9 7PZ -0.03338 0.02967 0.00000 0.00000 0.00000
10 8PX 0.00000 0.00000 0.00000 -0.81275 0.00000
11 8PY 0.00000 0.00000 0.00000 0.00000 -0.81275
12 8PZ -1.87158 0.34679 0.00000 0.00000 0.00000
13 9PX 0.00000 0.00000 0.00000 8.01425 0.00000
14 9PY 0.00000 0.00000 0.00000 0.00000 8.01425
15 9PZ 9.02947 -11.10397 0.00000 0.00000 0.00000
16 10PX 0.00000 0.00000 0.00000 3.03223 0.00000
17 10PY 0.00000 0.00000 0.00000 0.00000 3.03223
18 10PZ 0.08159 -3.26518 0.00000 0.00000 0.00000
19 11PX 0.00000 0.00000 0.00000 0.42732 0.00000
20 11PY 0.00000 0.00000 0.00000 0.00000 0.42732
21 11PZ 0.00111 -0.92015 0.00000 0.00000 0.00000
22 12D 0 0.04853 0.01448 0.00000 0.00000 0.00000
23 12D+1 0.00000 0.00000 0.00000 -0.03585 0.00000
24 12D-1 0.00000 0.00000 0.00000 0.00000 -0.03585
25 12D+2 0.00000 0.00000 0.00000 0.00000 -0.00486
26 12D-2 0.00000 0.00000 0.00000 -0.00486 0.00000
27 13D 0 1.03618 -1.53154 0.00000 0.00000 0.00000
28 13D+1 0.00000 0.00000 0.00000 -0.23943 0.00000
29 13D-1 0.00000 0.00000 0.00000 0.00000 -0.23943
30 13D+2 0.00000 0.00000 0.00000 0.00000 0.30407
31 13D-2 0.00000 0.00000 0.00000 0.30407 0.00000
32 14D 0 6.72832 -1.90207 0.00000 0.00000 0.00000
33 14D+1 0.00000 0.00000 0.00000 1.40247 0.00000
34 14D-1 0.00000 0.00000 0.00000 0.00000 1.40247
35 14D+2 0.00000 0.00000 0.00000 0.00000 -2.55021
36 14D-2 0.00000 0.00000 0.00000 -2.55021 0.00000
37 15D 0 0.59629 -0.16599 0.00000 0.00000 0.00000
38 15D+1 0.00000 0.00000 0.00000 -1.56135 0.00000
39 15D-1 0.00000 0.00000 0.00000 0.00000 -1.56135
40 15D+2 0.00000 0.00000 0.00000 0.00000 -1.14177
41 15D-2 0.00000 0.00000 0.00000 -1.14177 0.00000
42 16F 0 -0.00843 -0.02144 0.00000 0.00000 0.00000
43 16F+1 0.00000 0.00000 0.00000 -0.16072 0.00000
44 16F-1 0.00000 0.00000 0.00000 0.00000 -0.16072
45 16F+2 0.00000 0.00000 0.00000 0.00000 0.08129
46 16F-2 0.00000 0.00000 0.00000 0.08129 0.00000
47 16F+3 0.00000 0.00000 -0.06169 0.00000 0.00000
48 16F-3 0.03540 0.04242 0.00000 0.00000 0.00000
49 17F 0 -1.39146 -0.02623 0.00000 0.00000 0.00000
50 17F+1 0.00000 0.00000 0.00000 6.09130 0.00000
51 17F-1 0.00000 0.00000 0.00000 0.00000 6.09130
52 17F+2 0.00000 0.00000 0.00000 0.00000 -3.28726
53 17F-2 0.00000 0.00000 0.00000 -3.28726 0.00000
54 17F+3 0.00000 0.00000 5.10877 0.00000 0.00000
55 17F-3 0.56732 -3.09068 0.00000 0.00000 0.00000
56 18F 0 -1.67709 0.66737 0.00000 0.00000 0.00000
57 18F+1 0.00000 0.00000 0.00000 1.27810 0.00000
58 18F-1 0.00000 0.00000 0.00000 0.00000 1.27810
59 18F+2 0.00000 0.00000 0.00000 0.00000 -0.38796
60 18F-2 0.00000 0.00000 0.00000 -0.38796 0.00000
61 18F+3 0.00000 0.00000 2.43610 0.00000 0.00000
62 18F-3 3.18114 -1.88809 0.00000 0.00000 0.00000
63 19G 0 0.09460 0.10603 0.00000 0.00000 0.00000
64 19G+1 0.00000 0.00000 0.00000 -0.03125 0.00000
65 19G-1 0.00000 0.00000 0.00000 0.00000 -0.03125
66 19G+2 0.00000 0.00000 0.00000 0.00000 0.07964
67 19G-2 0.00000 0.00000 0.00000 0.07964 0.00000
68 19G+3 0.00000 0.00000 -0.04658 0.00000 0.00000
69 19G-3 0.12696 0.03946 0.00000 0.00000 0.00000
70 19G+4 0.00000 0.00000 0.00000 0.00000 -0.08559
71 19G-4 0.00000 0.00000 0.00000 0.08559 0.00000
72 20G 0 -2.23571 0.64909 0.00000 0.00000 0.00000
73 20G+1 0.00000 0.00000 0.00000 -1.24084 0.00000
74 20G-1 0.00000 0.00000 0.00000 0.00000 -1.24084
75 20G+2 0.00000 0.00000 0.00000 0.00000 -2.66472
76 20G-2 0.00000 0.00000 0.00000 -2.66472 0.00000
77 20G+3 0.00000 0.00000 2.34281 0.00000 0.00000
78 20G-3 -2.85377 -0.50987 0.00000 0.00000 0.00000
79 20G+4 0.00000 0.00000 0.00000 0.00000 -0.59298
80 20G-4 0.00000 0.00000 0.00000 0.59298 0.00000
81 2 C 1S 0.03748 -0.02836 0.00000 0.00000 0.00000
82 2S -0.15194 0.19417 0.00000 0.00000 0.00000
83 3S -1.01113 3.57803 0.00000 0.00000 0.00000
84 4S -7.36635 -6.89409 0.00000 0.00000 0.00000
85 5S -3.20166 -20.80572 0.00000 0.00000 0.00000
86 6S 0.20534 -1.03429 0.00000 0.00000 0.00000
87 7PX 0.00000 0.00000 0.00000 0.03026 0.00000
88 7PY 0.00000 0.00000 0.00000 0.00000 0.03026
89 7PZ 0.03338 0.02967 0.00000 0.00000 0.00000
90 8PX 0.00000 0.00000 0.00000 0.81275 0.00000
91 8PY 0.00000 0.00000 0.00000 0.00000 0.81275
92 8PZ 1.87158 0.34679 0.00000 0.00000 0.00000
93 9PX 0.00000 0.00000 0.00000 -8.01425 0.00000
94 9PY 0.00000 0.00000 0.00000 0.00000 -8.01425
95 9PZ -9.02947 -11.10397 0.00000 0.00000 0.00000
96 10PX 0.00000 0.00000 0.00000 -3.03223 0.00000
97 10PY 0.00000 0.00000 0.00000 0.00000 -3.03223
98 10PZ -0.08159 -3.26518 0.00000 0.00000 0.00000
99 11PX 0.00000 0.00000 0.00000 -0.42732 0.00000
100 11PY 0.00000 0.00000 0.00000 0.00000 -0.42732
101 11PZ -0.00111 -0.92015 0.00000 0.00000 0.00000
102 12D 0 0.04853 -0.01448 0.00000 0.00000 0.00000
103 12D+1 0.00000 0.00000 0.00000 -0.03585 0.00000
104 12D-1 0.00000 0.00000 0.00000 0.00000 -0.03585
105 12D+2 0.00000 0.00000 0.00000 0.00000 -0.00486
106 12D-2 0.00000 0.00000 0.00000 -0.00486 0.00000
107 13D 0 1.03618 1.53154 0.00000 0.00000 0.00000
108 13D+1 0.00000 0.00000 0.00000 -0.23943 0.00000
109 13D-1 0.00000 0.00000 0.00000 0.00000 -0.23943
110 13D+2 0.00000 0.00000 0.00000 0.00000 0.30407
111 13D-2 0.00000 0.00000 0.00000 0.30407 0.00000
112 14D 0 6.72832 1.90207 0.00000 0.00000 0.00000
113 14D+1 0.00000 0.00000 0.00000 1.40247 0.00000
114 14D-1 0.00000 0.00000 0.00000 0.00000 1.40247
115 14D+2 0.00000 0.00000 0.00000 0.00000 -2.55021
116 14D-2 0.00000 0.00000 0.00000 -2.55021 0.00000
117 15D 0 0.59629 0.16599 0.00000 0.00000 0.00000
118 15D+1 0.00000 0.00000 0.00000 -1.56135 0.00000
119 15D-1 0.00000 0.00000 0.00000 0.00000 -1.56135
120 15D+2 0.00000 0.00000 0.00000 0.00000 -1.14177
121 15D-2 0.00000 0.00000 0.00000 -1.14177 0.00000
122 16F 0 0.00843 -0.02144 0.00000 0.00000 0.00000
123 16F+1 0.00000 0.00000 0.00000 0.16072 0.00000
124 16F-1 0.00000 0.00000 0.00000 0.00000 0.16072
125 16F+2 0.00000 0.00000 0.00000 0.00000 -0.08129
126 16F-2 0.00000 0.00000 0.00000 -0.08129 0.00000
127 16F+3 0.00000 0.00000 -0.06169 0.00000 0.00000
128 16F-3 -0.03540 0.04242 0.00000 0.00000 0.00000
129 17F 0 1.39146 -0.02623 0.00000 0.00000 0.00000
130 17F+1 0.00000 0.00000 0.00000 -6.09130 0.00000
131 17F-1 0.00000 0.00000 0.00000 0.00000 -6.09130
132 17F+2 0.00000 0.00000 0.00000 0.00000 3.28726
133 17F-2 0.00000 0.00000 0.00000 3.28726 0.00000
134 17F+3 0.00000 0.00000 5.10877 0.00000 0.00000
135 17F-3 -0.56732 -3.09068 0.00000 0.00000 0.00000
136 18F 0 1.67709 0.66737 0.00000 0.00000 0.00000
137 18F+1 0.00000 0.00000 0.00000 -1.27810 0.00000
138 18F-1 0.00000 0.00000 0.00000 0.00000 -1.27810
139 18F+2 0.00000 0.00000 0.00000 0.00000 0.38796
140 18F-2 0.00000 0.00000 0.00000 0.38796 0.00000
141 18F+3 0.00000 0.00000 2.43610 0.00000 0.00000
142 18F-3 -3.18114 -1.88809 0.00000 0.00000 0.00000
143 19G 0 0.09460 -0.10603 0.00000 0.00000 0.00000
144 19G+1 0.00000 0.00000 0.00000 -0.03125 0.00000
145 19G-1 0.00000 0.00000 0.00000 0.00000 -0.03125
146 19G+2 0.00000 0.00000 0.00000 0.00000 0.07964
147 19G-2 0.00000 0.00000 0.00000 0.07964 0.00000
148 19G+3 0.00000 0.00000 0.04658 0.00000 0.00000
149 19G-3 0.12696 -0.03946 0.00000 0.00000 0.00000
150 19G+4 0.00000 0.00000 0.00000 0.00000 -0.08559
151 19G-4 0.00000 0.00000 0.00000 0.08559 0.00000
152 20G 0 -2.23571 -0.64909 0.00000 0.00000 0.00000
153 20G+1 0.00000 0.00000 0.00000 -1.24084 0.00000
154 20G-1 0.00000 0.00000 0.00000 0.00000 -1.24084
155 20G+2 0.00000 0.00000 0.00000 0.00000 -2.66472
156 20G-2 0.00000 0.00000 0.00000 -2.66472 0.00000
157 20G+3 0.00000 0.00000 -2.34281 0.00000 0.00000
158 20G-3 -2.85377 0.50987 0.00000 0.00000 0.00000
159 20G+4 0.00000 0.00000 0.00000 0.00000 -0.59298
160 20G-4 0.00000 0.00000 0.00000 0.59298 0.00000
161 3 H 1S 0.01368 0.00091 0.00000 0.00000 -0.00550
162 2S -1.94602 -1.70930 0.00000 0.00000 -0.85886
163 3S 3.74207 -3.13141 0.00000 0.00000 -7.81162
164 4S 0.53840 -3.09815 0.00000 0.00000 -1.49480
165 5S 0.00684 0.31621 0.00000 0.00000 -0.21135
166 6PX 0.00000 0.00000 -0.15653 -0.04600 0.00000
167 6PY -0.01484 -0.02588 0.00000 0.00000 -0.07820
168 6PZ 0.11306 -0.06232 0.00000 0.00000 0.19229
169 7PX 0.00000 0.00000 2.38421 0.67350 0.00000
170 7PY 0.54997 0.46160 0.00000 0.00000 1.51222
171 7PZ -1.59400 1.15266 0.00000 0.00000 -3.02492
172 8PX 0.00000 0.00000 3.55488 1.19705 0.00000
173 8PY 0.49412 -1.44218 0.00000 0.00000 3.76544
174 8PZ -4.53917 3.03549 0.00000 0.00000 -3.07243
175 9PX 0.00000 0.00000 0.22249 1.25748 0.00000
176 9PY -0.11385 0.28389 0.00000 0.00000 0.13412
177 9PZ -0.49528 1.54178 0.00000 0.00000 0.11587
178 10D 0 -0.03278 0.06337 0.00000 0.00000 0.00837
179 10D+1 0.00000 0.00000 0.03424 -0.01285 0.00000
180 10D-1 -0.04683 0.02278 0.00000 0.00000 -0.04108
181 10D+2 -0.00166 0.02993 0.00000 0.00000 -0.00980
182 10D-2 0.00000 0.00000 0.02584 0.00078 0.00000
183 11D 0 0.52052 -1.24147 0.00000 0.00000 1.00084
184 11D+1 0.00000 0.00000 -0.57672 0.24533 0.00000
185 11D-1 1.14429 -0.91934 0.00000 0.00000 1.84622
186 11D+2 0.17732 -0.22999 0.00000 0.00000 0.85632
187 11D-2 0.00000 0.00000 -1.46219 -0.62952 0.00000
188 12D 0 0.45514 -1.25925 0.00000 0.00000 0.08506
189 12D+1 0.00000 0.00000 -0.64496 -0.11974 0.00000
190 12D-1 0.42513 -0.33045 0.00000 0.00000 1.01268
191 12D+2 -0.51523 -0.16280 0.00000 0.00000 0.64398
192 12D-2 0.00000 0.00000 0.03722 -0.25904 0.00000
193 13F 0 -0.02197 -0.01675 0.00000 0.00000 0.00596
194 13F+1 0.00000 0.00000 -0.00727 -0.03391 0.00000
195 13F-1 -0.00278 0.01604 0.00000 0.00000 -0.11665
196 13F+2 -0.01277 -0.02612 0.00000 0.00000 0.03256
197 13F-2 0.00000 0.00000 0.00636 0.00241 0.00000
198 13F+3 0.00000 0.00000 -0.06567 -0.05283 0.00000
199 13F-3 0.00043 -0.00421 0.00000 0.00000 0.00158
200 14F 0 0.18214 0.07701 0.00000 0.00000 0.41767
201 14F+1 0.00000 0.00000 0.01857 0.21929 0.00000
202 14F-1 0.15880 0.48991 0.00000 0.00000 -0.03782
203 14F+2 0.03635 -0.07514 0.00000 0.00000 0.29889
204 14F-2 0.00000 0.00000 0.17078 -0.18912 0.00000
205 14F+3 0.00000 0.00000 0.10427 -0.14790 0.00000
206 14F-3 0.12593 -0.10978 0.00000 0.00000 -0.20387
207 4 H 1S 0.01368 0.00091 0.00000 0.00476 0.00275
208 2S -1.94602 -1.70930 0.00000 0.74380 0.42943
209 3S 3.74207 -3.13141 0.00000 6.76506 3.90581
210 4S 0.53840 -3.09815 0.00000 1.29454 0.74740
211 5S 0.00684 0.31621 0.00000 0.18304 0.10568
212 6PX 0.01285 0.02241 0.07827 -0.07015 -0.01394
213 6PY 0.00742 0.01294 -0.13556 -0.01394 -0.05405
214 6PZ 0.11306 -0.06232 0.00000 -0.16653 -0.09614
215 7PX -0.47629 -0.39975 -1.19210 1.30254 0.36318
216 7PY -0.27499 -0.23080 2.06479 0.36318 0.88318
217 7PZ -1.59400 1.15266 0.00000 2.61965 1.51246
218 8PX -0.42792 1.24896 -1.77744 3.12335 1.11215
219 8PY -0.24706 0.72109 3.07862 1.11215 1.83915
220 8PZ -4.53917 3.03549 0.00000 2.66080 1.53621
221 9PX 0.09859 -0.24586 -0.11124 0.41496 -0.48643
222 9PY 0.05692 -0.14195 0.19268 -0.48643 0.97664
223 9PZ -0.49528 1.54178 0.00000 -0.10035 -0.05794
224 10D 0 -0.03278 0.06337 0.00000 -0.00725 -0.00418
225 10D+1 0.04056 -0.01973 -0.01712 -0.03402 -0.01222
226 10D-1 0.02342 -0.01139 0.02966 -0.01222 -0.01991
227 10D+2 0.00083 -0.01497 0.02238 -0.00458 -0.00187
228 10D-2 0.00143 -0.02592 -0.01292 -0.00716 -0.00458
229 11D 0 0.52052 -1.24147 0.00000 -0.86675 -0.50042
230 11D+1 -0.99099 0.79617 0.28836 1.44599 0.69321
231 11D-1 -0.57215 0.45967 -0.49945 0.69321 0.64555
232 11D+2 -0.08866 0.11500 -1.26630 0.64339 -0.25806
233 11D-2 -0.15356 0.19918 0.73110 0.48486 0.64339
234 12D 0 0.45514 -1.25925 0.00000 -0.07367 -0.04253
235 12D+1 -0.36817 0.28618 0.32248 0.72958 0.49035
236 12D-1 -0.21256 0.16522 -0.55855 0.49035 0.16336
237 12D+2 0.25762 0.08140 0.03223 0.39102 -0.03329
238 12D-2 0.44621 0.14099 -0.01861 0.41823 0.39102
239 13F 0 -0.02197 -0.01675 0.00000 -0.00516 -0.00298
240 13F+1 0.00241 -0.01389 0.00363 -0.09596 -0.03583
241 13F-1 0.00139 -0.00802 -0.00629 -0.03583 -0.05459
242 13F+2 0.00638 0.01306 0.00550 0.01306 0.00994
243 13F-2 0.01106 0.02262 -0.00318 0.02502 0.01306
244 13F+3 0.00000 0.00000 -0.06567 0.02641 -0.04575
245 13F-3 0.00043 -0.00421 0.00000 -0.00137 -0.00079
246 14F 0 0.18214 0.07701 0.00000 -0.36172 -0.20884
247 14F+1 -0.13753 -0.42428 -0.00929 0.02646 -0.11133
248 14F-1 -0.07940 -0.24496 0.01608 -0.11133 0.15501
249 14F+2 -0.01817 0.03757 0.14790 0.21131 -0.06711
250 14F-2 -0.03148 0.06507 -0.08539 0.17689 0.21131
251 14F+3 0.00000 0.00000 0.10427 0.07395 -0.12809
252 14F-3 0.12593 -0.10978 0.00000 0.17656 0.10194
253 5 H 1S 0.01368 0.00091 0.00000 -0.00476 0.00275
254 2S -1.94602 -1.70930 0.00000 -0.74380 0.42943
255 3S 3.74207 -3.13141 0.00000 -6.76506 3.90581
256 4S 0.53840 -3.09815 0.00000 -1.29454 0.74740
257 5S 0.00684 0.31621 0.00000 -0.18304 0.10568
258 6PX -0.01285 -0.02241 0.07827 -0.07015 0.01394
259 6PY 0.00742 0.01294 0.13556 0.01394 -0.05405
260 6PZ 0.11306 -0.06232 0.00000 0.16653 -0.09614
261 7PX 0.47629 0.39975 -1.19210 1.30254 -0.36318
262 7PY -0.27499 -0.23080 -2.06479 -0.36318 0.88318
263 7PZ -1.59400 1.15266 0.00000 -2.61965 1.51246
264 8PX 0.42792 -1.24896 -1.77744 3.12335 -1.11215
265 8PY -0.24706 0.72109 -3.07862 -1.11215 1.83915
266 8PZ -4.53917 3.03549 0.00000 -2.66080 1.53621
267 9PX -0.09859 0.24586 -0.11124 0.41496 0.48643
268 9PY 0.05692 -0.14195 -0.19268 0.48643 0.97664
269 9PZ -0.49528 1.54178 0.00000 0.10035 -0.05794
270 10D 0 -0.03278 0.06337 0.00000 0.00725 -0.00418
271 10D+1 -0.04056 0.01973 -0.01712 -0.03402 0.01222
272 10D-1 0.02342 -0.01139 -0.02966 0.01222 -0.01991
273 10D+2 0.00083 -0.01497 -0.02238 0.00458 -0.00187
274 10D-2 -0.00143 0.02592 -0.01292 -0.00716 0.00458
275 11D 0 0.52052 -1.24147 0.00000 0.86675 -0.50042
276 11D+1 0.99099 -0.79617 0.28836 1.44599 -0.69321
277 11D-1 -0.57215 0.45967 0.49945 -0.69321 0.64555
278 11D+2 -0.08866 0.11500 1.26630 -0.64339 -0.25806
279 11D-2 0.15356 -0.19918 0.73110 0.48486 -0.64339
280 12D 0 0.45514 -1.25925 0.00000 0.07367 -0.04253
281 12D+1 0.36817 -0.28618 0.32248 0.72958 -0.49035
282 12D-1 -0.21256 0.16522 0.55855 -0.49035 0.16336
283 12D+2 0.25762 0.08140 -0.03223 -0.39102 -0.03329
284 12D-2 -0.44621 -0.14099 -0.01861 0.41823 -0.39102
285 13F 0 -0.02197 -0.01675 0.00000 0.00516 -0.00298
286 13F+1 -0.00241 0.01389 0.00363 -0.09596 0.03583
287 13F-1 0.00139 -0.00802 0.00629 0.03583 -0.05459
288 13F+2 0.00638 0.01306 -0.00550 -0.01306 0.00994
289 13F-2 -0.01106 -0.02262 -0.00318 0.02502 -0.01306
290 13F+3 0.00000 0.00000 -0.06567 0.02641 0.04575
291 13F-3 0.00043 -0.00421 0.00000 0.00137 -0.00079
292 14F 0 0.18214 0.07701 0.00000 0.36172 -0.20884
293 14F+1 0.13753 0.42428 -0.00929 0.02646 0.11133
294 14F-1 -0.07940 -0.24496 -0.01608 0.11133 0.15501
295 14F+2 -0.01817 0.03757 -0.14790 -0.21131 -0.06711
296 14F-2 0.03148 -0.06507 -0.08539 0.17689 -0.21131
297 14F+3 0.00000 0.00000 0.10427 0.07395 0.12809
298 14F-3 0.12593 -0.10978 0.00000 -0.17656 0.10194
299 6 H 1S 0.01368 -0.00091 0.00000 0.00000 -0.00550
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238 12D-2 0.43787 0.28796 -0.03401 -0.64547 0.09157
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242 13F+2 0.00950 0.01194 -0.00258 0.01019 0.00220
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244 13F+3 0.00000 0.00000 0.01646 0.02852 -0.10084
245 13F-3 -0.04173 -0.01797 -0.01261 0.00728 0.00000
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250 14F-2 -0.15909 -0.23477 0.12861 -0.09658 0.02471
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278 11D+2 0.20114 0.04469 -0.92661 0.91431 1.66378
279 11D-2 -0.34838 -0.07741 0.15565 0.92661 0.96058
280 12D 0 -0.55822 0.21538 0.19944 0.11514 0.00000
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283 12D+2 0.25281 0.16625 -0.64547 0.77934 0.15860
284 12D-2 -0.43787 -0.28796 -0.03401 0.64547 0.09157
285 13F 0 0.00046 -0.01704 0.00848 0.00490 0.00000
286 13F+1 -0.01819 0.02495 -0.03540 -0.03508 -0.00530
287 13F-1 0.01050 -0.01441 0.03508 -0.00511 -0.00919
288 13F+2 0.00950 0.01194 0.00258 0.01019 -0.00220
289 13F-2 -0.01645 -0.02068 -0.01317 -0.00258 -0.00127
290 13F+3 0.00000 0.00000 0.01646 -0.02852 -0.10084
291 13F-3 -0.04173 -0.01797 0.01261 0.00728 0.00000
292 14F 0 -0.01361 -0.06818 -0.18454 -0.10654 0.00000
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294 14F-1 -0.06880 0.05915 0.08033 0.14958 0.21371
295 14F+2 -0.09185 -0.13555 -0.09658 -0.01710 0.04279
296 14F-2 0.15909 0.23477 0.12861 0.09658 0.02471
297 14F+3 0.00000 0.00000 0.06670 -0.11553 0.19710
298 14F-3 0.00656 -0.01611 -0.22881 -0.13210 0.00000
299 6 H 1S -0.00259 0.01228 0.00000 0.00211 0.00000
300 2S -3.32261 4.18779 0.00000 -1.24509 0.00000
301 3S -2.76474 6.52056 0.00000 -10.12374 0.00000
302 4S -1.82235 2.44819 0.00000 -12.32989 0.00000
303 5S -0.03634 -0.38074 0.00000 0.17269 0.00000
304 6PX 0.00000 0.00000 -0.08181 0.00000 0.17675
305 6PY 0.06178 -0.07146 0.00000 0.14397 0.00000
306 6PZ 0.05801 -0.04247 0.00000 -0.07351 0.00000
307 7PX 0.00000 0.00000 1.48952 0.00000 -3.09835
308 7PY -0.92140 1.44699 0.00000 -1.91900 0.00000
309 7PZ -0.79185 0.51105 0.00000 1.10463 0.00000
310 8PX 0.00000 0.00000 5.16562 0.00000 -5.80402
311 8PY 2.15926 -0.36868 0.00000 -2.82224 0.00000
312 8PZ -0.77962 -1.11750 0.00000 2.71431 0.00000
313 9PX 0.00000 0.00000 1.66162 0.00000 -0.57984
314 9PY 0.27494 0.15024 0.00000 -2.31531 0.00000
315 9PZ 0.08675 -0.88571 0.00000 -0.52648 0.00000
316 10D 0 0.04919 0.00482 0.00000 -0.04562 0.00000
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318 10D-1 -0.01703 0.05313 0.00000 -0.05348 0.00000
319 10D+2 0.06079 -0.03636 0.00000 -0.01282 0.00000
320 10D-2 0.00000 0.00000 -0.04147 0.00000 0.02506
321 11D 0 -0.53587 -0.16356 0.00000 1.55925 0.00000
322 11D+1 0.00000 0.00000 0.47815 0.00000 0.01752
323 11D-1 -0.02711 -0.50232 0.00000 0.66642 0.00000
324 11D+2 -0.40227 0.08938 0.00000 0.69063 0.00000
325 11D-2 0.00000 0.00000 1.44929 0.00000 -1.92117
326 12D 0 -0.55822 -0.21538 0.00000 0.23029 0.00000
327 12D+1 0.00000 0.00000 -0.22815 0.00000 -0.28885
328 12D-1 0.31298 -0.92360 0.00000 0.73287 0.00000
329 12D+2 -0.50561 0.33251 0.00000 0.33865 0.00000
330 12D-2 0.00000 0.00000 1.15200 0.00000 -0.18313
331 13F 0 -0.00046 -0.01704 0.00000 -0.00979 0.00000
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333 13F-1 0.02101 0.02881 0.00000 0.05566 0.00000
334 13F+2 0.01899 -0.02388 0.00000 0.01466 0.00000
335 13F-2 0.00000 0.00000 -0.00870 0.00000 -0.00254
336 13F+3 0.00000 0.00000 -0.03293 0.00000 0.10084
337 13F-3 0.04173 -0.01797 0.00000 -0.01457 0.00000
338 14F 0 0.01361 -0.06818 0.00000 0.21309 0.00000
339 14F+1 0.00000 0.00000 -0.10320 0.00000 0.24677
340 14F-1 -0.13760 -0.11830 0.00000 0.28872 0.00000
341 14F+2 -0.18370 0.27109 0.00000 -0.18437 0.00000
342 14F-2 0.00000 0.00000 -0.03866 0.00000 0.04941
343 14F+3 0.00000 0.00000 -0.13340 0.00000 -0.19710
344 14F-3 -0.00656 -0.01611 0.00000 0.26421 0.00000
345 7 H 1S -0.00259 0.01228 -0.00183 -0.00106 0.00000
346 2S -3.32261 4.18779 1.07828 0.62255 0.00000
347 3S -2.76474 6.52056 8.76741 5.06187 0.00000
348 4S -1.82235 2.44819 10.67800 6.16495 0.00000
349 5S -0.03634 -0.38074 -0.14955 -0.08634 0.00000
350 6PX 0.05351 -0.06188 -0.12843 -0.02692 -0.08838
351 6PY -0.03089 0.03573 0.02692 0.09735 -0.15307
352 6PZ 0.05801 -0.04247 0.06366 0.03675 0.00000
353 7PX -0.79795 1.25313 1.81163 0.18597 1.54918
354 7PY 0.46070 -0.72350 -0.18597 -1.59689 2.68325
355 7PZ -0.79185 0.51105 -0.95664 -0.55232 0.00000
356 8PX 1.86998 -0.31929 3.40809 -1.01471 2.90201
357 8PY -1.07963 0.18434 1.01471 -4.57977 5.02643
358 8PZ -0.77962 -1.11750 -2.35066 -1.35716 0.00000
359 9PX 0.23811 0.13011 2.15188 0.28306 0.28992
360 9PY -0.13747 -0.07512 -0.28306 -1.82504 0.50216
361 9PZ 0.08675 -0.88571 0.45594 0.26324 0.00000
362 10D 0 0.04919 0.00482 0.03950 0.02281 0.00000
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364 10D-1 0.00852 -0.02657 -0.03172 0.00145 0.00187
365 10D+2 -0.03040 0.01818 -0.02350 0.02790 -0.02171
366 10D-2 0.05265 -0.03149 -0.00075 0.02350 -0.01253
367 11D 0 -0.53587 -0.16356 -1.35035 -0.77962 0.00000
368 11D+1 -0.02347 -0.43502 -0.38028 -0.49561 -0.00876
369 11D-1 0.01355 0.25116 0.49561 -0.19201 -0.01517
370 11D+2 0.20114 -0.04469 0.92661 -0.91431 1.66378
371 11D-2 -0.34838 0.07741 -0.15565 -0.92661 0.96058
372 12D 0 -0.55822 -0.21538 -0.19944 -0.11514 0.00000
373 12D+1 0.27105 -0.79986 -0.60669 -0.21855 0.14442
374 12D-1 -0.15649 0.46180 0.21855 0.35433 0.25015
375 12D+2 0.25281 -0.16625 0.64547 -0.77934 0.15860
376 12D-2 -0.43787 0.28796 0.03401 -0.64547 0.09157
377 13F 0 -0.00046 -0.01704 0.00848 0.00490 0.00000
378 13F+1 0.01819 0.02495 -0.03540 -0.03508 0.00530
379 13F-1 -0.01050 -0.01441 0.03508 -0.00511 0.00919
380 13F+2 -0.00950 0.01194 0.00258 0.01019 0.00220
381 13F-2 0.01645 -0.02068 -0.01317 -0.00258 0.00127
382 13F+3 0.00000 0.00000 0.01646 -0.02852 0.10084
383 13F-3 0.04173 -0.01797 0.01261 0.00728 0.00000
384 14F 0 0.01361 -0.06818 -0.18454 -0.10654 0.00000
385 14F+1 -0.11916 -0.10245 -0.24234 -0.08033 -0.12339
386 14F-1 0.06880 0.05915 0.08033 0.14958 -0.21371
387 14F+2 0.09185 -0.13555 -0.09658 -0.01710 -0.04279
388 14F-2 -0.15909 0.23477 0.12861 0.09658 -0.02471
389 14F+3 0.00000 0.00000 0.06670 -0.11553 -0.19710
390 14F-3 -0.00656 -0.01611 -0.22881 -0.13210 0.00000
391 8 H 1S -0.00259 0.01228 0.00183 -0.00106 0.00000
392 2S -3.32261 4.18779 -1.07828 0.62255 0.00000
393 3S -2.76474 6.52056 -8.76741 5.06187 0.00000
394 4S -1.82235 2.44819 -10.67800 6.16495 0.00000
395 5S -0.03634 -0.38074 0.14955 -0.08634 0.00000
396 6PX -0.05351 0.06188 -0.12843 0.02692 -0.08838
397 6PY -0.03089 0.03573 -0.02692 0.09735 0.15307
398 6PZ 0.05801 -0.04247 -0.06366 0.03675 0.00000
399 7PX 0.79795 -1.25313 1.81163 -0.18597 1.54918
400 7PY 0.46070 -0.72350 0.18597 -1.59689 -2.68325
401 7PZ -0.79185 0.51105 0.95664 -0.55232 0.00000
402 8PX -1.86998 0.31929 3.40809 1.01471 2.90201
403 8PY -1.07963 0.18434 -1.01471 -4.57977 -5.02643
404 8PZ -0.77962 -1.11750 2.35066 -1.35716 0.00000
405 9PX -0.23811 -0.13011 2.15188 -0.28306 0.28992
406 9PY -0.13747 -0.07512 0.28306 -1.82504 -0.50216
407 9PZ 0.08675 -0.88571 -0.45594 0.26324 0.00000
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410 10D-1 0.00852 -0.02657 0.03172 0.00145 -0.00187
411 10D+2 -0.03040 0.01818 0.02350 0.02790 0.02171
412 10D-2 -0.05265 0.03149 -0.00075 -0.02350 -0.01253
413 11D 0 -0.53587 -0.16356 1.35035 -0.77962 0.00000
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415 11D-1 0.01355 0.25116 -0.49561 -0.19201 0.01517
416 11D+2 0.20114 -0.04469 -0.92661 -0.91431 -1.66378
417 11D-2 0.34838 -0.07741 -0.15565 0.92661 0.96058
418 12D 0 -0.55822 -0.21538 0.19944 -0.11514 0.00000
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420 12D-1 -0.15649 0.46180 -0.21855 0.35433 -0.25015
421 12D+2 0.25281 -0.16625 -0.64547 -0.77934 -0.15860
422 12D-2 0.43787 -0.28796 0.03401 0.64547 0.09157
423 13F 0 -0.00046 -0.01704 -0.00848 0.00490 0.00000
424 13F+1 -0.01819 -0.02495 -0.03540 0.03508 0.00530
425 13F-1 -0.01050 -0.01441 -0.03508 -0.00511 -0.00919
426 13F+2 -0.00950 0.01194 -0.00258 0.01019 -0.00220
427 13F-2 -0.01645 0.02068 -0.01317 0.00258 0.00127
428 13F+3 0.00000 0.00000 0.01646 0.02852 0.10084
429 13F-3 0.04173 -0.01797 -0.01261 0.00728 0.00000
430 14F 0 0.01361 -0.06818 0.18454 -0.10654 0.00000
431 14F+1 0.11916 0.10245 -0.24234 0.08033 -0.12339
432 14F-1 0.06880 0.05915 -0.08033 0.14958 0.21371
433 14F+2 0.09185 -0.13555 0.09658 -0.01710 0.04279
434 14F-2 0.15909 -0.23477 0.12861 -0.09658 -0.02471
435 14F+3 0.00000 0.00000 0.06670 0.11553 -0.19710
436 14F-3 -0.00656 -0.01611 0.22881 -0.13210 0.00000
291 292 293 294 295
(EG)--V (EG)--V (EU)--V (EU)--V (A1U)--V
Eigenvalues -- 6.11226 6.11226 6.16195 6.16195 6.23152
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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 7PX 0.15910 0.00000 -0.08872 0.00000 0.00000
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12 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
13 9PX 6.88133 0.00000 2.72089 0.00000 0.00000
14 9PY 0.00000 -6.88133 0.00000 2.72089 0.00000
15 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
16 10PX 0.78048 0.00000 -1.37996 0.00000 0.00000
17 10PY 0.00000 -0.78048 0.00000 -1.37996 0.00000
18 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000
19 11PX 0.05643 0.00000 -0.01230 0.00000 0.00000
20 11PY 0.00000 -0.05643 0.00000 -0.01230 0.00000
21 11PZ 0.00000 0.00000 0.00000 0.00000 0.00000
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24 12D-1 0.00000 -0.15685 0.00000 0.01667 0.00000
25 12D+2 0.00000 -0.00104 0.00000 -0.07512 0.00000
26 12D-2 0.00104 0.00000 -0.07512 0.00000 0.00000
27 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000
28 13D+1 0.05528 0.00000 -0.03054 0.00000 0.00000
29 13D-1 0.00000 -0.05528 0.00000 -0.03054 0.00000
30 13D+2 0.00000 -0.27530 0.00000 -0.29176 0.00000
31 13D-2 0.27530 0.00000 -0.29176 0.00000 0.00000
32 14D 0 0.00000 0.00000 0.00000 0.00000 0.00000
33 14D+1 2.94072 0.00000 1.01327 0.00000 0.00000
34 14D-1 0.00000 -2.94072 0.00000 1.01327 0.00000
35 14D+2 0.00000 1.86463 0.00000 -0.67791 0.00000
36 14D-2 -1.86463 0.00000 -0.67791 0.00000 0.00000
37 15D 0 0.00000 0.00000 0.00000 0.00000 0.00000
38 15D+1 1.10248 0.00000 0.58806 0.00000 0.00000
39 15D-1 0.00000 -1.10248 0.00000 0.58806 0.00000
40 15D+2 0.00000 -0.30534 0.00000 -2.16560 0.00000
41 15D-2 0.30534 0.00000 -2.16560 0.00000 0.00000
42 16F 0 0.00000 0.00000 0.00000 0.00000 0.00000
43 16F+1 0.23203 0.00000 0.13585 0.00000 0.00000
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369 11D-1 0.12884 -0.04180 -0.00185 -0.02842 -0.37136
370 11D+2 0.29971 -0.41740 0.12122 0.11311 -0.84846
371 11D-2 0.07133 -0.29971 -0.02687 0.12122 -0.48986
372 12D 0 -0.09950 -0.05745 -0.70249 0.40558 0.00000
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374 12D-1 0.05022 -0.13589 0.09577 0.00750 -0.32024
375 12D+2 0.18675 -0.23152 0.03386 0.11883 -0.16386
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379 13F-1 0.02602 0.11054 -0.06867 -0.00692 -0.07418
380 13F+2 0.02772 -0.04383 -0.00834 -0.02730 -0.13688
381 13F-2 0.01183 -0.02772 -0.01766 -0.00834 -0.07903
382 13F+3 0.07519 -0.13024 0.01863 0.03227 -0.28970
383 13F-3 -0.12842 -0.07414 -0.06897 0.03982 0.00000
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386 14F-1 -0.04473 0.02122 0.07810 -0.12818 -0.02716
387 14F+2 0.14192 -0.07404 0.01682 0.05920 0.03692
388 14F-2 -0.08983 -0.14192 0.03977 0.01682 0.02131
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392 2S 0.27519 -0.15888 -0.56325 -0.32519 0.00000
393 3S 6.29747 -3.63584 -1.24851 -0.72082 0.00000
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417 11D-2 0.07133 0.29971 -0.02687 -0.12122 -0.48986
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420 12D-1 -0.05022 -0.13589 -0.09577 0.00750 0.32024
421 12D+2 -0.18675 -0.23152 -0.03386 0.11883 0.16386
422 12D-2 0.01588 0.18675 0.07973 -0.03386 -0.09461
423 13F 0 -0.13094 0.07560 -0.13308 -0.07684 0.00000
424 13F+1 -0.14059 0.02602 0.07237 0.06867 -0.04283
425 13F-1 -0.02602 0.11054 0.06867 -0.00692 0.07418
426 13F+2 -0.02772 -0.04383 0.00834 -0.02730 0.13688
427 13F-2 0.01183 0.02772 -0.01766 0.00834 -0.07903
428 13F+3 0.07519 0.13024 0.01863 -0.03227 -0.28970
429 13F-3 0.12842 -0.07414 0.06897 0.03982 0.00000
430 14F 0 0.25061 -0.14469 0.16849 0.09728 0.00000
431 14F+1 0.03043 -0.04473 -0.21836 -0.07810 -0.01568
432 14F-1 0.04473 0.02122 -0.07810 -0.12818 0.02716
433 14F+2 -0.14192 -0.07404 -0.01682 0.05920 -0.03692
434 14F-2 -0.08983 0.14192 0.03977 -0.01682 0.02131
435 14F+3 0.01277 0.02212 0.04509 -0.07810 0.13892
436 14F-3 0.02340 -0.01351 -0.11572 -0.06681 0.00000
296 297 298 299 300
(A2U)--V (EG)--V (EG)--V (A2G)--V (EU)--V
Eigenvalues -- 6.23200 6.30712 6.30712 6.35202 6.44460
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36 14D-2 0.00000 1.26750 0.00000 0.00000 0.00000
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52 17F+2 0.00000 0.00000 -1.07204 0.00000 1.27316
53 17F-2 0.00000 1.07204 0.00000 0.00000 0.00000
54 17F+3 0.00000 0.00000 0.00000 2.72239 0.00000
55 17F-3 0.78140 0.00000 0.00000 0.00000 0.00000
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59 18F+2 0.00000 0.00000 -1.41721 0.00000 0.35713
60 18F-2 0.00000 1.41721 0.00000 0.00000 0.00000
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66 19G+2 0.00000 0.00000 -0.79573 0.00000 -0.20113
67 19G-2 0.00000 0.79573 0.00000 0.00000 0.00000
68 19G+3 0.00000 0.00000 0.00000 0.51651 0.00000
69 19G-3 0.28941 0.00000 0.00000 0.00000 0.00000
70 19G+4 0.00000 0.00000 -0.07370 0.00000 0.57910
71 19G-4 0.00000 -0.07370 0.00000 0.00000 0.00000
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76 20G-2 0.00000 -0.39787 0.00000 0.00000 0.00000
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80 20G-4 0.00000 -0.36679 0.00000 0.00000 0.00000
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82 2S -0.03724 0.00000 0.00000 0.00000 0.00000
83 3S -1.39480 0.00000 0.00000 0.00000 0.00000
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121 15D-2 0.00000 -0.05491 0.00000 0.00000 0.00000
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126 16F-2 0.00000 0.24458 0.00000 0.00000 0.00000
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132 17F+2 0.00000 0.00000 1.07204 0.00000 1.27316
133 17F-2 0.00000 -1.07204 0.00000 0.00000 0.00000
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140 18F-2 0.00000 -1.41721 0.00000 0.00000 0.00000
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147 19G-2 0.00000 0.79573 0.00000 0.00000 0.00000
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151 19G-4 0.00000 -0.07370 0.00000 0.00000 0.00000
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156 20G-2 0.00000 -0.39787 0.00000 0.00000 0.00000
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158 20G-3 0.04627 0.00000 0.00000 0.00000 0.00000
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160 20G-4 0.00000 -0.36679 0.00000 0.00000 0.00000
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162 2S 0.51121 0.00000 -0.32850 0.00000 -0.16647
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182 10D-2 0.00000 0.04082 0.00000 -0.06221 0.00000
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187 11D-2 0.00000 0.42024 0.00000 -0.58182 0.00000
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204 14F-2 0.00000 0.11598 0.00000 -0.07735 0.00000
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207 4 H 1S 0.01197 -0.09344 0.05395 0.00000 -0.06011
208 2S 0.51121 -0.28449 0.16425 0.00000 0.08324
209 3S -1.81411 0.42338 -0.24444 0.00000 2.92656
210 4S -2.71229 2.30088 -1.32841 0.00000 0.91819
211 5S -0.31811 0.15835 -0.09142 0.00000 0.21719
212 6PX 0.02209 0.02424 -0.03096 -0.00074 -0.02727
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214 6PZ 0.01593 0.01077 -0.00622 0.00000 -0.00272
215 7PX 0.01922 -0.33447 -0.01403 -0.39598 0.30338
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217 7PZ -0.27567 -0.50784 0.29320 0.00000 -0.19698
218 8PX -0.67815 -0.13119 -0.96849 -1.10416 0.83466
219 8PY -0.39153 0.96849 1.24951 1.91245 -0.54100
220 8PZ -0.18476 -1.33861 0.77285 0.00000 -0.78945
221 9PX -0.34519 -0.02700 -0.31994 -0.15369 0.28912
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232 11D+2 -0.04912 -0.27654 -0.26058 -0.50387 0.50314
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234 12D 0 -0.00314 0.42630 -0.24613 0.00000 -0.22294
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237 12D+2 0.04249 -0.22420 -0.33549 0.08470 0.14981
238 12D-2 0.07359 0.07660 0.22420 -0.04890 -0.20561
239 13F 0 -0.07922 0.10148 -0.05859 0.00000 0.07210
240 13F+1 0.03456 0.14375 -0.08696 0.00669 0.08203
241 13F-1 0.01996 0.08696 -0.04334 -0.01159 0.02086
242 13F+2 -0.07918 0.08343 0.10814 0.19856 0.01021
243 13F-2 -0.13714 -0.01180 -0.08343 -0.11464 -0.02298
244 13F+3 0.00000 -0.06221 -0.10776 -0.23487 0.21072
245 13F-3 -0.08020 -0.02625 0.01515 0.00000 -0.04420
246 14F 0 0.05268 -0.19353 0.11174 0.00000 -0.10102
247 14F+1 0.00308 0.08311 0.03853 -0.05206 -0.06008
248 14F-1 0.00178 -0.03853 -0.12760 0.09016 0.05728
249 14F+2 -0.04678 -0.03354 -0.09661 -0.06699 -0.10128
250 14F-2 -0.08102 0.05788 0.03354 0.03868 0.22932
251 14F+3 0.00000 0.01004 0.01738 0.21771 0.03368
252 14F-3 0.09044 -0.12486 0.07209 0.00000 -0.02769
253 5 H 1S 0.01197 0.09344 0.05395 0.00000 -0.06011
254 2S 0.51121 0.28449 0.16425 0.00000 0.08324
255 3S -1.81411 -0.42338 -0.24444 0.00000 2.92656
256 4S -2.71229 -2.30088 -1.32841 0.00000 0.91819
257 5S -0.31811 -0.15835 -0.09142 0.00000 0.21719
258 6PX -0.02209 0.02424 0.03096 -0.00074 0.02727
259 6PY 0.01276 -0.03096 0.01150 -0.00128 0.01715
260 6PZ 0.01593 -0.01077 -0.00622 0.00000 -0.00272
261 7PX -0.01922 -0.33447 0.01403 -0.39598 -0.30338
262 7PY 0.01110 -0.01403 0.35067 -0.68586 -0.43772
263 7PZ -0.27567 0.50784 0.29320 0.00000 -0.19698
264 8PX 0.67815 -0.13119 0.96849 -1.10416 -0.83466
265 8PY -0.39153 -0.96849 1.24951 -1.91245 -0.54100
266 8PZ -0.18476 1.33861 0.77285 0.00000 -0.78945
267 9PX 0.34519 -0.02700 0.31994 -0.15369 -0.28912
268 9PY -0.19930 -0.31994 0.39644 -0.26619 -0.50962
269 9PZ -0.05023 0.09428 0.05443 0.00000 0.47596
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271 10D+1 0.01007 0.02057 -0.01485 0.03328 0.00642
272 10D-1 -0.00581 0.01485 -0.03772 0.05764 -0.06056
273 10D+2 0.00828 0.00682 -0.03688 0.05388 0.01837
274 10D-2 -0.01434 0.02901 -0.00682 0.03111 0.00169
275 11D 0 0.30810 -0.56430 -0.32580 0.00000 0.18595
276 11D+1 0.17664 -0.33711 -0.28628 0.20305 0.10026
277 11D-1 -0.10198 0.28628 0.00653 0.35170 0.23342
278 11D+2 -0.04912 0.27654 -0.26058 0.50387 0.50314
279 11D-2 0.08508 -0.05874 -0.27654 0.29091 0.39335
280 12D 0 -0.00314 -0.42630 -0.24613 0.00000 -0.22294
281 12D+1 0.05070 -0.00010 0.21098 0.19101 0.06952
282 12D-1 -0.02927 -0.21098 0.24373 0.33084 0.39958
283 12D+2 0.04249 0.22420 -0.33549 -0.08470 0.14981
284 12D-2 -0.07359 0.07660 -0.22420 -0.04890 0.20561
285 13F 0 -0.07922 -0.10148 -0.05859 0.00000 0.07210
286 13F+1 -0.03456 0.14375 0.08696 0.00669 -0.08203
287 13F-1 0.01996 -0.08696 -0.04334 0.01159 0.02086
288 13F+2 -0.07918 -0.08343 0.10814 -0.19856 0.01021
289 13F-2 0.13714 -0.01180 0.08343 -0.11464 0.02298
290 13F+3 0.00000 -0.06221 0.10776 -0.23487 -0.21072
291 13F-3 -0.08020 0.02625 0.01515 0.00000 -0.04420
292 14F 0 0.05268 0.19353 0.11174 0.00000 -0.10102
293 14F+1 -0.00308 0.08311 -0.03853 -0.05206 0.06008
294 14F-1 0.00178 0.03853 -0.12760 -0.09016 0.05728
295 14F+2 -0.04678 0.03354 -0.09661 0.06699 -0.10128
296 14F-2 0.08102 0.05788 -0.03354 0.03868 -0.22932
297 14F+3 0.00000 0.01004 -0.01738 0.21771 -0.03368
298 14F-3 0.09044 0.12486 0.07209 0.00000 -0.02769
299 6 H 1S -0.01197 0.00000 -0.10789 0.00000 -0.12021
300 2S -0.51121 0.00000 -0.32850 0.00000 0.16647
301 3S 1.81411 0.00000 0.48888 0.00000 5.85312
302 4S 2.71229 0.00000 2.65683 0.00000 1.83639
303 5S 0.31811 0.00000 0.18285 0.00000 0.43438
304 6PX 0.00000 0.02937 0.00000 -0.00148 0.00000
305 6PY -0.02551 0.00000 0.04212 0.00000 -0.03007
306 6PZ 0.01593 0.00000 -0.01244 0.00000 0.00544
307 7PX 0.00000 0.35877 0.00000 -0.79196 0.00000
308 7PY -0.02219 0.00000 -0.32637 0.00000 0.08775
309 7PZ -0.27567 0.00000 0.58641 0.00000 0.39395
310 8PX 0.00000 1.80866 0.00000 -2.20831 0.00000
311 8PY 0.78307 0.00000 0.42796 0.00000 0.90468
312 8PZ -0.18476 0.00000 1.54569 0.00000 1.57889
313 9PX 0.00000 0.58116 0.00000 -0.30737 0.00000
314 9PY 0.39859 0.00000 0.15771 0.00000 -0.00886
315 9PZ -0.05023 0.00000 0.10886 0.00000 -0.95192
316 10D 0 0.00122 0.00000 0.04649 0.00000 0.00589
317 10D+1 0.00000 0.04629 0.00000 -0.06655 0.00000
318 10D-1 -0.01163 0.00000 -0.01200 0.00000 0.07168
319 10D+2 0.01656 0.00000 -0.02507 0.00000 -0.01545
320 10D-2 0.00000 0.04082 0.00000 -0.06221 0.00000
321 11D 0 -0.30810 0.00000 0.65159 0.00000 0.37190
322 11D+1 0.00000 0.15875 0.00000 -0.40611 0.00000
323 11D-1 -0.20396 0.00000 0.50239 0.00000 -0.05976
324 11D+2 -0.09824 0.00000 0.21840 0.00000 0.17817
325 11D-2 0.00000 0.42024 0.00000 -0.58182 0.00000
326 12D 0 0.00314 0.00000 0.49225 0.00000 -0.44589
327 12D+1 0.00000 -0.36554 0.00000 -0.38202 0.00000
328 12D-1 -0.05854 0.00000 -0.12171 0.00000 -0.27917
329 12D+2 0.08498 0.00000 0.05284 0.00000 0.20632
330 12D-2 0.00000 0.46493 0.00000 0.09781 0.00000
331 13F 0 -0.07922 0.00000 -0.11718 0.00000 -0.14420
332 13F+1 0.00000 0.00686 0.00000 0.01339 0.00000
333 13F-1 -0.03991 0.00000 0.19396 0.00000 0.16294
334 13F+2 0.15835 0.00000 0.03637 0.00000 -0.02959
335 13F-2 0.00000 0.15631 0.00000 -0.22928 0.00000
336 13F+3 0.00000 -0.12443 0.00000 0.23487 0.00000
337 13F-3 -0.08020 0.00000 0.03031 0.00000 0.08839
338 14F 0 0.05268 0.00000 0.22347 0.00000 0.20204
339 14F+1 0.00000 -0.14985 0.00000 -0.10411 0.00000
340 14F-1 -0.00355 0.00000 0.06086 0.00000 -0.04678
341 14F+2 0.09356 0.00000 0.03852 0.00000 0.29592
342 14F-2 0.00000 -0.11598 0.00000 0.07735 0.00000
343 14F+3 0.00000 0.02007 0.00000 -0.21771 0.00000
344 14F-3 0.09044 0.00000 0.14418 0.00000 0.05539
345 7 H 1S -0.01197 0.09344 0.05395 0.00000 0.06011
346 2S -0.51121 0.28449 0.16425 0.00000 -0.08324
347 3S 1.81411 -0.42338 -0.24444 0.00000 -2.92656
348 4S 2.71229 -2.30088 -1.32841 0.00000 -0.91819
349 5S 0.31811 -0.15835 -0.09142 0.00000 -0.21719
350 6PX -0.02209 -0.02424 -0.03096 0.00074 0.02727
351 6PY 0.01276 0.03096 -0.01150 0.00128 0.01715
352 6PZ 0.01593 0.01077 0.00622 0.00000 -0.00272
353 7PX -0.01922 0.33447 -0.01403 0.39598 -0.30338
354 7PY 0.01110 0.01403 -0.35067 0.68586 -0.43772
355 7PZ -0.27567 -0.50784 -0.29320 0.00000 -0.19698
356 8PX 0.67815 0.13119 -0.96849 1.10416 -0.83466
357 8PY -0.39153 0.96849 -1.24951 1.91245 -0.54100
358 8PZ -0.18476 -1.33861 -0.77285 0.00000 -0.78945
359 9PX 0.34519 0.02700 -0.31994 0.15369 -0.28912
360 9PY -0.19930 0.31994 -0.39644 0.26619 -0.50962
361 9PZ -0.05023 -0.09428 -0.05443 0.00000 0.47596
362 10D 0 0.00122 -0.04026 -0.02325 0.00000 -0.00295
363 10D+1 -0.01007 0.02057 -0.01485 0.03328 -0.00642
364 10D-1 0.00581 0.01485 -0.03772 0.05764 0.06056
365 10D+2 -0.00828 0.00682 -0.03688 0.05388 -0.01837
366 10D-2 0.01434 0.02901 -0.00682 0.03111 -0.00169
367 11D 0 -0.30810 -0.56430 -0.32580 0.00000 -0.18595
368 11D+1 -0.17664 -0.33711 -0.28628 0.20305 -0.10026
369 11D-1 0.10198 0.28628 0.00653 0.35170 -0.23342
370 11D+2 0.04912 0.27654 -0.26058 0.50387 -0.50314
371 11D-2 -0.08508 -0.05874 -0.27654 0.29091 -0.39335
372 12D 0 0.00314 -0.42630 -0.24613 0.00000 0.22294
373 12D+1 -0.05070 -0.00010 0.21098 0.19101 -0.06952
374 12D-1 0.02927 -0.21098 0.24373 0.33084 -0.39958
375 12D+2 -0.04249 0.22420 -0.33549 -0.08470 -0.14981
376 12D-2 0.07359 0.07660 -0.22420 -0.04890 -0.20561
377 13F 0 -0.07922 0.10148 0.05859 0.00000 0.07210
378 13F+1 -0.03456 -0.14375 -0.08696 -0.00669 -0.08203
379 13F-1 0.01996 0.08696 0.04334 -0.01159 0.02086
380 13F+2 -0.07918 0.08343 -0.10814 0.19856 0.01021
381 13F-2 0.13714 0.01180 -0.08343 0.11464 0.02298
382 13F+3 0.00000 0.06221 -0.10776 0.23487 -0.21072
383 13F-3 -0.08020 -0.02625 -0.01515 0.00000 -0.04420
384 14F 0 0.05268 -0.19353 -0.11174 0.00000 -0.10102
385 14F+1 -0.00308 -0.08311 0.03853 0.05206 0.06008
386 14F-1 0.00178 -0.03853 0.12760 0.09016 0.05728
387 14F+2 -0.04678 -0.03354 0.09661 -0.06699 -0.10128
388 14F-2 0.08102 -0.05788 0.03354 -0.03868 -0.22932
389 14F+3 0.00000 -0.01004 0.01738 -0.21771 -0.03368
390 14F-3 0.09044 -0.12486 -0.07209 0.00000 -0.02769
391 8 H 1S -0.01197 -0.09344 0.05395 0.00000 0.06011
392 2S -0.51121 -0.28449 0.16425 0.00000 -0.08324
393 3S 1.81411 0.42338 -0.24444 0.00000 -2.92656
394 4S 2.71229 2.30088 -1.32841 0.00000 -0.91819
395 5S 0.31811 0.15835 -0.09142 0.00000 -0.21719
396 6PX 0.02209 -0.02424 0.03096 0.00074 -0.02727
397 6PY 0.01276 -0.03096 -0.01150 -0.00128 0.01715
398 6PZ 0.01593 -0.01077 0.00622 0.00000 -0.00272
399 7PX 0.01922 0.33447 0.01403 0.39598 0.30338
400 7PY 0.01110 -0.01403 -0.35067 -0.68586 -0.43772
401 7PZ -0.27567 0.50784 -0.29320 0.00000 -0.19698
402 8PX -0.67815 0.13119 0.96849 1.10416 0.83466
403 8PY -0.39153 -0.96849 -1.24951 -1.91245 -0.54100
404 8PZ -0.18476 1.33861 -0.77285 0.00000 -0.78945
405 9PX -0.34519 0.02700 0.31994 0.15369 0.28912
406 9PY -0.19930 -0.31994 -0.39644 -0.26619 -0.50962
407 9PZ -0.05023 0.09428 -0.05443 0.00000 0.47596
408 10D 0 0.00122 0.04026 -0.02325 0.00000 -0.00295
409 10D+1 0.01007 0.02057 0.01485 0.03328 0.00642
410 10D-1 0.00581 -0.01485 -0.03772 -0.05764 0.06056
411 10D+2 -0.00828 -0.00682 -0.03688 -0.05388 -0.01837
412 10D-2 -0.01434 0.02901 0.00682 0.03111 0.00169
413 11D 0 -0.30810 0.56430 -0.32580 0.00000 -0.18595
414 11D+1 0.17664 -0.33711 0.28628 0.20305 0.10026
415 11D-1 0.10198 -0.28628 0.00653 -0.35170 -0.23342
416 11D+2 0.04912 -0.27654 -0.26058 -0.50387 -0.50314
417 11D-2 0.08508 -0.05874 0.27654 0.29091 0.39335
418 12D 0 0.00314 0.42630 -0.24613 0.00000 0.22294
419 12D+1 0.05070 -0.00010 -0.21098 0.19101 0.06952
420 12D-1 0.02927 0.21098 0.24373 -0.33084 -0.39958
421 12D+2 -0.04249 -0.22420 -0.33549 0.08470 -0.14981
422 12D-2 -0.07359 0.07660 0.22420 -0.04890 0.20561
423 13F 0 -0.07922 -0.10148 0.05859 0.00000 0.07210
424 13F+1 0.03456 -0.14375 0.08696 -0.00669 0.08203
425 13F-1 0.01996 -0.08696 0.04334 0.01159 0.02086
426 13F+2 -0.07918 -0.08343 -0.10814 -0.19856 0.01021
427 13F-2 -0.13714 0.01180 0.08343 0.11464 -0.02298
428 13F+3 0.00000 0.06221 0.10776 0.23487 0.21072
429 13F-3 -0.08020 0.02625 -0.01515 0.00000 -0.04420
430 14F 0 0.05268 0.19353 -0.11174 0.00000 -0.10102
431 14F+1 0.00308 -0.08311 -0.03853 0.05206 -0.06008
432 14F-1 0.00178 0.03853 0.12760 -0.09016 0.05728
433 14F+2 -0.04678 0.03354 0.09661 0.06699 -0.10128
434 14F-2 -0.08102 -0.05788 -0.03354 -0.03868 0.22932
435 14F+3 0.00000 -0.01004 -0.01738 -0.21771 0.03368
436 14F-3 0.09044 0.12486 -0.07209 0.00000 -0.02769
301 302 303 304 305
(EU)--V (A1G)--V (A1G)--V (EG)--V (EG)--V
Eigenvalues -- 6.44460 6.49859 6.62189 6.68055 6.68055
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2 2S 0.00000 -0.06807 0.05620 0.00000 0.00000
3 3S 0.00000 -0.66756 -0.21875 0.00000 0.00000
4 4S 0.00000 -2.95907 9.12355 0.00000 0.00000
5 5S 0.00000 1.30877 1.90979 0.00000 0.00000
6 6S 0.00000 0.23667 -0.07818 0.00000 0.00000
7 7PX 0.27597 0.00000 0.00000 0.00000 0.02811
8 7PY 0.00000 0.00000 0.00000 0.02811 0.00000
9 7PZ 0.00000 0.45344 0.31971 0.00000 0.00000
10 8PX -0.89189 0.00000 0.00000 0.00000 -0.53819
11 8PY 0.00000 0.00000 0.00000 -0.53819 0.00000
12 8PZ 0.00000 -1.42704 -0.70511 0.00000 0.00000
13 9PX 8.56106 0.00000 0.00000 0.00000 9.32159
14 9PY 0.00000 0.00000 0.00000 9.32159 0.00000
15 9PZ 0.00000 5.17034 -1.18407 0.00000 0.00000
16 10PX 2.93462 0.00000 0.00000 0.00000 4.58548
17 10PY 0.00000 0.00000 0.00000 4.58548 0.00000
18 10PZ 0.00000 2.85923 1.52701 0.00000 0.00000
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20 11PY 0.00000 0.00000 0.00000 0.54615 0.00000
21 11PZ 0.00000 0.42363 0.12083 0.00000 0.00000
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24 12D-1 0.00000 0.00000 0.00000 -0.08187 0.00000
25 12D+2 0.00000 0.00000 0.00000 -0.02625 0.00000
26 12D-2 0.00334 0.00000 0.00000 0.00000 -0.02625
27 13D 0 0.00000 0.95221 -0.44430 0.00000 0.00000
28 13D+1 -0.41986 0.00000 0.00000 0.00000 0.66275
29 13D-1 0.00000 0.00000 0.00000 0.66275 0.00000
30 13D+2 0.00000 0.00000 0.00000 0.03607 0.00000
31 13D-2 0.54595 0.00000 0.00000 0.00000 0.03607
32 14D 0 0.00000 2.35936 -2.65881 0.00000 0.00000
33 14D+1 1.59230 0.00000 0.00000 0.00000 -5.21778
34 14D-1 0.00000 0.00000 0.00000 -5.21778 0.00000
35 14D+2 0.00000 0.00000 0.00000 -0.77361 0.00000
36 14D-2 -2.07305 0.00000 0.00000 0.00000 -0.77361
37 15D 0 0.00000 -0.40415 -0.76838 0.00000 0.00000
38 15D+1 1.40824 0.00000 0.00000 0.00000 -0.24906
39 15D-1 0.00000 0.00000 0.00000 -0.24906 0.00000
40 15D+2 0.00000 0.00000 0.00000 -0.62548 0.00000
41 15D-2 -0.43657 0.00000 0.00000 0.00000 -0.62548
42 16F 0 0.00000 0.40581 -0.49523 0.00000 0.00000
43 16F+1 0.16883 0.00000 0.00000 0.00000 -0.41198
44 16F-1 0.00000 0.00000 0.00000 -0.41198 0.00000
45 16F+2 0.00000 0.00000 0.00000 0.03990 0.00000
46 16F-2 -0.21286 0.00000 0.00000 0.00000 0.03990
47 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000
48 16F-3 0.00000 -0.23599 0.01197 0.00000 0.00000
49 17F 0 0.00000 -1.22557 1.15452 0.00000 0.00000
50 17F+1 -0.73424 0.00000 0.00000 0.00000 2.28591
51 17F-1 0.00000 0.00000 0.00000 2.28591 0.00000
52 17F+2 0.00000 0.00000 0.00000 -0.56527 0.00000
53 17F-2 1.27316 0.00000 0.00000 0.00000 -0.56527
54 17F+3 0.00000 0.00000 0.00000 0.00000 0.00000
55 17F-3 0.00000 0.97119 -0.66684 0.00000 0.00000
56 18F 0 0.00000 -0.90571 1.00763 0.00000 0.00000
57 18F+1 -2.30637 0.00000 0.00000 0.00000 2.09865
58 18F-1 0.00000 0.00000 0.00000 2.09865 0.00000
59 18F+2 0.00000 0.00000 0.00000 0.70336 0.00000
60 18F-2 0.35713 0.00000 0.00000 0.00000 0.70336
61 18F+3 0.00000 0.00000 0.00000 0.00000 0.00000
62 18F-3 0.00000 0.69364 0.29646 0.00000 0.00000
63 19G 0 0.00000 -0.21277 0.73182 0.00000 0.00000
64 19G+1 -0.53669 0.00000 0.00000 0.00000 -0.43759
65 19G-1 0.00000 0.00000 0.00000 -0.43759 0.00000
66 19G+2 0.00000 0.00000 0.00000 -0.14034 0.00000
67 19G-2 -0.20113 0.00000 0.00000 0.00000 -0.14034
68 19G+3 0.00000 0.00000 0.00000 0.00000 0.00000
69 19G-3 0.00000 -0.60140 -0.24490 0.00000 0.00000
70 19G+4 0.00000 0.00000 0.00000 0.43761 0.00000
71 19G-4 -0.57910 0.00000 0.00000 0.00000 -0.43761
72 20G 0 0.00000 -0.87598 -0.45898 0.00000 0.00000
73 20G+1 0.94605 0.00000 0.00000 0.00000 -0.32594
74 20G-1 0.00000 0.00000 0.00000 -0.32594 0.00000
75 20G+2 0.00000 0.00000 0.00000 -0.13526 0.00000
76 20G-2 -0.09657 0.00000 0.00000 0.00000 -0.13526
77 20G+3 0.00000 0.00000 0.00000 0.00000 0.00000
78 20G-3 0.00000 -0.39396 1.11459 0.00000 0.00000
79 20G+4 0.00000 0.00000 0.00000 -0.35435 0.00000
80 20G-4 0.02421 0.00000 0.00000 0.00000 0.35435
81 2 C 1S 0.00000 0.01109 0.00073 0.00000 0.00000
82 2S 0.00000 -0.06807 0.05620 0.00000 0.00000
83 3S 0.00000 -0.66756 -0.21875 0.00000 0.00000
84 4S 0.00000 -2.95907 9.12355 0.00000 0.00000
85 5S 0.00000 1.30877 1.90979 0.00000 0.00000
86 6S 0.00000 0.23667 -0.07818 0.00000 0.00000
87 7PX 0.27597 0.00000 0.00000 0.00000 -0.02811
88 7PY 0.00000 0.00000 0.00000 -0.02811 0.00000
89 7PZ 0.00000 -0.45344 -0.31971 0.00000 0.00000
90 8PX -0.89189 0.00000 0.00000 0.00000 0.53819
91 8PY 0.00000 0.00000 0.00000 0.53819 0.00000
92 8PZ 0.00000 1.42704 0.70511 0.00000 0.00000
93 9PX 8.56106 0.00000 0.00000 0.00000 -9.32159
94 9PY 0.00000 0.00000 0.00000 -9.32159 0.00000
95 9PZ 0.00000 -5.17034 1.18407 0.00000 0.00000
96 10PX 2.93462 0.00000 0.00000 0.00000 -4.58548
97 10PY 0.00000 0.00000 0.00000 -4.58548 0.00000
98 10PZ 0.00000 -2.85923 -1.52701 0.00000 0.00000
99 11PX 0.43003 0.00000 0.00000 0.00000 -0.54615
100 11PY 0.00000 0.00000 0.00000 -0.54615 0.00000
101 11PZ 0.00000 -0.42363 -0.12083 0.00000 0.00000
102 12D 0 0.00000 -0.19192 -0.07665 0.00000 0.00000
103 12D+1 -0.15909 0.00000 0.00000 0.00000 -0.08187
104 12D-1 0.00000 0.00000 0.00000 -0.08187 0.00000
105 12D+2 0.00000 0.00000 0.00000 -0.02625 0.00000
106 12D-2 -0.00334 0.00000 0.00000 0.00000 -0.02625
107 13D 0 0.00000 0.95221 -0.44430 0.00000 0.00000
108 13D+1 0.41986 0.00000 0.00000 0.00000 0.66275
109 13D-1 0.00000 0.00000 0.00000 0.66275 0.00000
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414 11D+1 -0.11765 -0.59316 0.36712 0.07850 0.25084
415 11D-1 0.10026 -0.34246 0.21195 0.16019 0.07850
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417 11D-2 -0.04893 0.03801 -0.04500 -0.07670 0.25318
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419 12D+1 -0.31931 -0.20473 0.23707 0.30030 0.16545
420 12D-1 0.06952 -0.11820 0.13687 -0.18130 0.30030
421 12D+2 0.20561 0.10685 0.01511 0.23159 -0.09007
422 12D-2 0.08761 0.18507 0.02617 -0.09007 0.12760
423 13F 0 0.12488 -0.02359 -0.03916 -0.10760 -0.18637
424 13F+1 0.11558 -0.18587 -0.00746 0.07330 0.00923
425 13F-1 0.08203 -0.10731 -0.00431 -0.07541 0.07330
426 13F+2 -0.02298 0.03827 -0.01597 -0.08747 -0.11032
427 13F-2 -0.01632 0.06629 -0.02766 -0.11032 -0.21486
428 13F+3 -0.12166 0.00000 0.00000 -0.03735 0.02157
429 13F-3 -0.07655 -0.01179 0.02573 -0.13916 -0.24104
430 14F 0 -0.17498 0.02003 -0.15166 0.13215 0.22888
431 14F+1 -0.01209 0.06815 0.10211 0.01646 0.03799
432 14F-1 -0.06008 0.03935 0.05895 0.01899 0.01646
433 14F+2 0.22932 -0.05048 -0.01689 0.08510 -0.08856
434 14F-2 0.16352 -0.08744 -0.02926 -0.08856 -0.01716
435 14F+3 -0.01945 0.00000 0.00000 -0.27006 0.15592
436 14F-3 -0.04797 -0.17219 -0.05058 0.11408 0.19759
306 307 308 309 310
(A2U)--V (EU)--V (EU)--V (EG)--V (EG)--V
Eigenvalues -- 6.76864 6.79572 6.79572 6.80317 6.80317
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34 14D-1 0.00000 1.71937 0.00000 4.38422 0.00000
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36 14D-2 0.00000 0.00000 1.05315 0.00000 2.00673
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45 16F+2 0.00000 -0.03507 0.00000 0.35867 0.00000
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48 16F-3 -0.10401 0.00000 0.00000 0.00000 0.00000
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53 17F-2 0.00000 0.00000 -0.41360 0.00000 -0.00795
54 17F+3 0.00000 0.00000 0.00000 0.00000 0.00000
55 17F-3 -1.98251 0.00000 0.00000 0.00000 0.00000
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57 18F+1 0.00000 0.00000 0.16359 0.00000 1.50290
58 18F-1 0.00000 -0.16359 0.00000 -1.50290 0.00000
59 18F+2 0.00000 -0.02255 0.00000 -0.56165 0.00000
60 18F-2 0.00000 0.00000 0.02255 0.00000 0.56165
61 18F+3 0.00000 0.00000 0.00000 0.00000 0.00000
62 18F-3 -0.84945 0.00000 0.00000 0.00000 0.00000
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65 19G-1 0.00000 0.11024 0.00000 0.15900 0.00000
66 19G+2 0.00000 0.13155 0.00000 0.27204 0.00000
67 19G-2 0.00000 0.00000 -0.13155 0.00000 -0.27204
68 19G+3 0.00000 0.00000 0.00000 0.00000 0.00000
69 19G-3 -1.03158 0.00000 0.00000 0.00000 0.00000
70 19G+4 0.00000 0.09848 0.00000 0.00845 0.00000
71 19G-4 0.00000 0.00000 0.09848 0.00000 0.00845
72 20G 0 0.83496 0.00000 0.00000 0.00000 0.00000
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74 20G-1 0.00000 0.12033 0.00000 0.41372 0.00000
75 20G+2 0.00000 -0.56057 0.00000 0.01969 0.00000
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78 20G-3 -0.27433 0.00000 0.00000 0.00000 0.00000
79 20G+4 0.00000 -0.54382 0.00000 0.12051 0.00000
80 20G-4 0.00000 0.00000 -0.54382 0.00000 0.12051
81 2 C 1S -0.01720 0.00000 0.00000 0.00000 0.00000
82 2S 0.06374 0.00000 0.00000 0.00000 0.00000
83 3S 4.29187 0.00000 0.00000 0.00000 0.00000
84 4S -14.37326 0.00000 0.00000 0.00000 0.00000
85 5S -27.00898 0.00000 0.00000 0.00000 0.00000
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88 7PY 0.00000 0.15414 0.00000 0.20565 0.00000
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120 15D+2 0.00000 -2.07296 0.00000 -0.06081 0.00000
121 15D-2 0.00000 0.00000 2.07296 0.00000 0.06081
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123 16F+1 0.00000 0.00000 0.32350 0.00000 0.18610
124 16F-1 0.00000 -0.32350 0.00000 -0.18610 0.00000
125 16F+2 0.00000 -0.03507 0.00000 -0.35867 0.00000
126 16F-2 0.00000 0.00000 0.03507 0.00000 0.35867
127 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000
128 16F-3 -0.10401 0.00000 0.00000 0.00000 0.00000
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130 17F+1 0.00000 0.00000 -0.98766 0.00000 -2.08658
131 17F-1 0.00000 0.98766 0.00000 2.08658 0.00000
132 17F+2 0.00000 0.41360 0.00000 -0.00795 0.00000
133 17F-2 0.00000 0.00000 -0.41360 0.00000 0.00795
134 17F+3 0.00000 0.00000 0.00000 0.00000 0.00000
135 17F-3 -1.98251 0.00000 0.00000 0.00000 0.00000
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138 18F-1 0.00000 -0.16359 0.00000 1.50290 0.00000
139 18F+2 0.00000 -0.02255 0.00000 0.56165 0.00000
140 18F-2 0.00000 0.00000 0.02255 0.00000 -0.56165
141 18F+3 0.00000 0.00000 0.00000 0.00000 0.00000
142 18F-3 -0.84945 0.00000 0.00000 0.00000 0.00000
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147 19G-2 0.00000 0.00000 0.13155 0.00000 -0.27204
148 19G+3 0.00000 0.00000 0.00000 0.00000 0.00000
149 19G-3 1.03158 0.00000 0.00000 0.00000 0.00000
150 19G+4 0.00000 -0.09848 0.00000 0.00845 0.00000
151 19G-4 0.00000 0.00000 -0.09848 0.00000 0.00845
152 20G 0 -0.83496 0.00000 0.00000 0.00000 0.00000
153 20G+1 0.00000 0.00000 0.12033 0.00000 -0.41372
154 20G-1 0.00000 -0.12033 0.00000 0.41372 0.00000
155 20G+2 0.00000 0.56057 0.00000 0.01969 0.00000
156 20G-2 0.00000 0.00000 -0.56057 0.00000 -0.01969
157 20G+3 0.00000 0.00000 0.00000 0.00000 0.00000
158 20G-3 0.27433 0.00000 0.00000 0.00000 0.00000
159 20G+4 0.00000 0.54382 0.00000 0.12051 0.00000
160 20G-4 0.00000 0.00000 0.54382 0.00000 0.12051
161 3 H 1S -0.02314 0.08258 0.00000 0.00001 0.00000
162 2S -2.41983 0.58111 0.00000 0.17744 0.00000
163 3S -10.69166 -0.29079 0.00000 -2.29187 0.00000
164 4S -3.37506 2.75543 0.00000 4.76767 0.00000
165 5S -0.16619 0.17504 0.00000 0.37457 0.00000
166 6PX 0.00000 0.00000 0.01089 0.00000 -0.05634
167 6PY -0.16623 0.02838 0.00000 0.05442 0.00000
168 6PZ -0.03631 -0.11907 0.00000 0.01488 0.00000
169 7PX 0.00000 0.00000 -0.03783 0.00000 0.01859
170 7PY 1.66225 -0.35468 0.00000 -0.56303 0.00000
171 7PZ 0.31909 -0.45036 0.00000 0.41134 0.00000
172 8PX 0.00000 0.00000 -0.11621 0.00000 -0.54550
173 8PY 2.35761 0.19013 0.00000 -0.32036 0.00000
174 8PZ 1.17940 -1.30414 0.00000 0.92799 0.00000
175 9PX 0.00000 0.00000 1.54437 0.00000 -0.36171
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177 9PZ 0.00685 -1.46703 0.00000 0.02302 0.00000
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181 10D+2 0.07059 -0.04623 0.00000 -0.02726 0.00000
182 10D-2 0.00000 0.00000 -0.04137 0.00000 0.05175
183 11D 0 0.39256 0.10639 0.00000 -0.49205 0.00000
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185 11D-1 0.21681 0.38644 0.00000 -0.48259 0.00000
186 11D+2 0.25195 -0.07164 0.00000 -0.27985 0.00000
187 11D-2 0.00000 0.00000 -0.28832 0.00000 0.09264
188 12D 0 0.23484 0.37299 0.00000 -0.16911 0.00000
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195 13F-1 -0.17674 0.08858 0.00000 -0.01714 0.00000
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197 13F-2 0.00000 0.00000 0.04037 0.00000 -0.09621
198 13F+3 0.00000 0.00000 -0.07381 0.00000 0.07749
199 13F-3 -0.09914 -0.03530 0.00000 0.20868 0.00000
200 14F 0 0.00719 -0.04239 0.00000 0.01136 0.00000
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202 14F-1 -0.09705 0.01290 0.00000 0.22144 0.00000
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204 14F-2 0.00000 0.00000 0.02492 0.00000 0.16188
205 14F+3 0.00000 0.00000 -0.28049 0.00000 -0.08068
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207 4 H 1S -0.02314 -0.04129 0.07152 0.00000 0.00001
208 2S -2.41983 -0.29055 0.50326 -0.08872 0.15367
209 3S -10.69166 0.14539 -0.25183 1.14593 -1.98482
210 4S -3.37506 -1.37772 2.38628 -2.38383 4.12892
211 5S -0.16619 -0.08752 0.15159 -0.18728 0.32439
212 6PX 0.14396 0.01700 -0.01856 -0.00083 -0.05490
213 6PY 0.08311 -0.00107 -0.01700 0.05586 0.00083
214 6PZ -0.03631 0.05953 -0.10311 -0.00744 0.01288
215 7PX -1.43955 -0.16996 0.25655 -0.23575 0.42692
216 7PY -0.83112 -0.06030 0.16996 -0.15470 0.23575
217 7PZ 0.31909 0.22518 -0.39002 -0.20567 0.35623
218 8PX -2.04175 0.03201 -0.17165 -0.37492 0.10389
219 8PY -1.17880 0.13469 -0.03201 0.32903 0.37492
220 8PZ 1.17940 0.65207 -1.12942 -0.46400 0.80367
221 9PX -0.41626 0.81712 0.12907 -0.56901 0.62385
222 9PY -0.24033 -1.07260 -0.81712 0.03319 0.56901
223 9PZ 0.00685 0.73352 -1.27049 -0.01151 0.01994
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238 12D-2 0.21917 -0.15292 -0.16901 0.03310 -0.15726
239 13F 0 0.04226 0.01326 -0.02296 0.10752 -0.18622
240 13F+1 0.15306 0.10785 -0.02632 0.14901 0.10317
241 13F-1 0.08837 -0.09822 -0.10785 -0.27524 -0.14901
242 13F+2 0.05578 0.08618 -0.21921 0.11744 -0.03678
243 13F-2 0.09662 0.21921 -0.33930 0.03678 -0.15991
244 13F+3 0.00000 0.06392 0.03690 -0.06711 -0.03875
245 13F-3 -0.09914 0.01765 -0.03057 -0.10434 0.18072
246 14F 0 0.00719 0.02119 -0.03671 -0.00568 0.00984
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249 14F+2 -0.16629 -0.05501 0.05212 -0.18718 0.04381
250 14F-2 -0.28803 -0.05212 0.11519 -0.04381 0.23777
251 14F+3 0.00000 0.24292 0.14025 0.06987 0.04034
252 14F-3 0.08563 -0.00365 0.00632 0.09926 -0.17192
253 5 H 1S -0.02314 -0.04129 -0.07152 0.00000 -0.00001
254 2S -2.41983 -0.29055 -0.50326 -0.08872 -0.15367
255 3S -10.69166 0.14539 0.25183 1.14593 1.98482
256 4S -3.37506 -1.37772 -2.38628 -2.38383 -4.12892
257 5S -0.16619 -0.08752 -0.15159 -0.18728 -0.32439
258 6PX -0.14396 -0.01700 -0.01856 0.00083 -0.05490
259 6PY 0.08311 -0.00107 0.01700 0.05586 -0.00083
260 6PZ -0.03631 0.05953 0.10311 -0.00744 -0.01288
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262 7PY -0.83112 -0.06030 -0.16996 -0.15470 -0.23575
263 7PZ 0.31909 0.22518 0.39002 -0.20567 -0.35623
264 8PX 2.04175 -0.03201 -0.17165 0.37492 0.10389
265 8PY -1.17880 0.13469 0.03201 0.32903 -0.37492
266 8PZ 1.17940 0.65207 1.12942 -0.46400 -0.80367
267 9PX 0.41626 -0.81712 0.12907 0.56901 0.62385
268 9PY -0.24033 -1.07260 0.81712 0.03319 -0.56901
269 9PZ 0.00685 0.73352 1.27049 -0.01151 -0.01994
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275 11D 0 0.39256 -0.05320 -0.09214 0.24603 0.42613
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280 12D 0 0.23484 -0.18649 -0.32302 0.08456 0.14646
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282 12D-1 -0.14321 -0.12854 0.13336 0.00378 -0.17776
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285 13F 0 0.04226 0.01326 0.02296 0.10752 0.18622
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383 13F-3 -0.09914 0.01765 0.03057 0.10434 0.18072
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387 14F+2 -0.16629 -0.05501 -0.05212 0.18718 0.04381
388 14F-2 0.28803 0.05212 0.11519 -0.04381 -0.23777
389 14F+3 0.00000 -0.24292 0.14025 0.06987 -0.04034
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428 13F+3 0.00000 0.06392 0.03690 0.06711 0.03875
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430 14F 0 0.00719 0.02119 -0.03671 0.00568 -0.00984
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436 14F-3 0.08563 -0.00365 0.00632 -0.09926 0.17192
311 312 313 314 315
(A1G)--V (A1U)--V (A1U)--V (A2G)--V (EU)--V
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316 317 318 319 320
(EU)--V (EU)--V (EU)--V (EG)--V (EG)--V
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428 13F+3 -0.05184 0.08487 0.14700 0.03904 0.06762
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430 14F 0 -0.19715 0.00487 -0.00281 0.04785 -0.02762
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436 14F-3 -0.31884 -0.25168 0.14531 0.16941 -0.09781
321 322 323 324 325
(A2U)--V (EG)--V (EG)--V (A2G)--V (EU)--V
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239 13F 0 0.00030 -0.11449 0.19830 0.00000 -0.11955
240 13F+1 0.17571 -0.17397 -0.02918 0.10005 -0.00504
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242 13F+2 -0.03018 -0.06363 -0.13800 0.01385 -0.12653
243 13F-2 -0.05227 0.13800 -0.09572 -0.00799 -0.06859
244 13F+3 0.00000 -0.18541 -0.10705 0.01013 0.04963
245 13F-3 -0.00062 -0.08624 0.14937 0.00000 -0.05360
246 14F 0 -0.16615 0.10902 -0.18883 0.00000 0.03589
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248 14F-1 -0.09190 -0.06813 -0.26271 0.05434 0.18877
249 14F+2 0.06745 -0.07044 0.12370 -0.20723 0.00624
250 14F-2 0.11682 -0.12370 0.21328 0.11965 0.05471
251 14F+3 0.00000 0.16240 0.09376 0.35877 0.15761
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253 5 H 1S -0.05078 0.00292 0.00505 0.00000 -0.04269
254 2S 0.22158 -0.25569 -0.44286 0.00000 0.64841
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284 12D-2 -0.54118 0.05014 -0.14328 -0.42430 0.41441
285 13F 0 0.00030 -0.11449 -0.19830 0.00000 -0.11955
286 13F+1 -0.17571 0.17397 -0.02918 0.10005 0.00504
287 13F-1 0.10144 0.23006 -0.17397 0.17329 -0.13515
288 13F+2 -0.03018 -0.06363 0.13800 -0.01385 -0.12653
289 13F-2 0.05227 -0.13800 -0.09572 -0.00799 0.06859
290 13F+3 0.00000 0.18541 -0.10705 0.01013 -0.04963
291 13F-3 -0.00062 -0.08624 -0.14937 0.00000 -0.05360
292 14F 0 -0.16615 0.10902 0.18883 0.00000 0.03589
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294 14F-1 -0.09190 -0.06813 0.26271 -0.05434 0.18877
295 14F+2 0.06745 -0.07044 -0.12370 0.20723 0.00624
296 14F-2 -0.11682 0.12370 0.21328 0.11965 -0.05471
297 14F+3 0.00000 -0.16240 0.09376 0.35877 -0.15761
298 14F-3 0.31644 0.04229 0.07326 0.00000 -0.05577
299 6 H 1S 0.05078 -0.00583 0.00000 0.00000 -0.08539
300 2S -0.22158 0.51138 0.00000 0.00000 1.29682
301 3S -2.93233 -0.87068 0.00000 0.00000 4.94225
302 4S -2.49617 4.34367 0.00000 0.00000 2.33076
303 5S -0.20938 0.05927 0.00000 0.00000 0.51090
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306 6PZ -0.07410 0.01920 0.00000 0.00000 -0.17314
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312 8PZ -1.97991 1.24653 0.00000 0.00000 0.44920
313 9PX 0.00000 0.00000 -0.30441 0.56762 0.00000
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315 9PZ -0.18302 -0.20437 0.00000 0.00000 -0.47897
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320 10D-2 0.00000 0.00000 0.03100 -0.10342 0.00000
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322 11D+1 0.00000 0.00000 -0.10211 0.54838 0.00000
323 11D-1 0.15838 -0.21557 0.00000 0.00000 0.35366
324 11D+2 0.00016 -0.19490 0.00000 0.00000 0.37364
325 11D-2 0.00000 0.00000 -0.16253 0.71532 0.00000
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327 12D+1 0.00000 0.00000 -0.53074 0.11443 0.00000
328 12D-1 0.48719 -0.68231 0.00000 0.00000 -0.07243
329 12D+2 0.62490 0.11433 0.00000 0.00000 0.30750
330 12D-2 0.00000 0.00000 -0.23011 0.84860 0.00000
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332 13F+1 0.00000 0.00000 0.33050 0.20010 0.00000
333 13F-1 -0.20289 0.07126 0.00000 0.00000 -0.14389
334 13F+2 0.06036 -0.17539 0.00000 0.00000 -0.24533
335 13F-2 0.00000 0.00000 -0.14330 -0.01599 0.00000
336 13F+3 0.00000 0.00000 -0.21409 -0.01013 0.00000
337 13F-3 -0.00062 -0.17247 0.00000 0.00000 0.10721
338 14F 0 -0.16615 0.21804 0.00000 0.00000 -0.07177
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340 14F-1 0.18380 -0.38690 0.00000 0.00000 0.27967
341 14F+2 -0.13489 0.28470 0.00000 0.00000 0.10099
342 14F-2 0.00000 0.00000 0.00097 0.23929 0.00000
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344 14F-3 0.31644 0.08459 0.00000 0.00000 0.11154
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346 2S -0.22158 -0.25569 -0.44286 0.00000 -0.64841
347 3S -2.93233 0.43534 0.75403 0.00000 -2.47112
348 4S -2.49617 -2.17183 -3.76173 0.00000 -1.16538
349 5S -0.20938 -0.02964 -0.05133 0.00000 -0.25545
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354 7PY -0.11190 0.21092 0.23442 -0.45991 -0.35313
355 7PZ 0.16867 -0.00345 -0.00597 0.00000 -0.42977
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357 8PY -0.50482 -0.06343 -0.00278 -0.06535 -1.03306
358 8PZ -1.97991 -0.62326 -1.07952 0.00000 -0.22460
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360 9PY 0.28134 0.35791 0.09267 -0.49158 -1.01852
361 9PZ -0.18302 0.10218 0.17699 0.00000 0.23948
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366 10D-2 0.02719 0.02251 0.06999 0.05171 0.05894
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368 11D+1 0.13717 0.13756 0.13615 -0.27419 -0.27718
369 11D-1 -0.07919 0.02269 -0.13756 -0.47491 -0.12643
370 11D+2 -0.00008 0.07317 -0.15477 -0.61949 -0.47907
371 11D-2 0.00014 0.15477 0.10554 -0.35766 -0.49231
372 12D 0 -0.72743 0.13937 0.24139 0.00000 -0.15337
373 12D+1 0.42192 0.52527 0.37904 -0.05721 0.08998
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375 12D+2 -0.31245 0.20117 -0.05014 -0.73491 -0.41028
376 12D-2 0.54118 0.05014 -0.14328 -0.42430 -0.41441
377 13F 0 0.00030 0.11449 0.19830 0.00000 -0.11955
378 13F+1 -0.17571 -0.17397 0.02918 -0.10005 0.00504
379 13F-1 0.10144 -0.23006 0.17397 -0.17329 -0.13515
380 13F+2 -0.03018 0.06363 -0.13800 0.01385 -0.12653
381 13F-2 0.05227 0.13800 0.09572 0.00799 0.06859
382 13F+3 0.00000 -0.18541 0.10705 -0.01013 -0.04963
383 13F-3 -0.00062 0.08624 0.14937 0.00000 -0.05360
384 14F 0 -0.16615 -0.10902 -0.18883 0.00000 0.03589
385 14F+1 0.15918 0.26271 0.23522 0.03137 -0.05248
386 14F-1 -0.09190 0.06813 -0.26271 0.05434 0.18877
387 14F+2 0.06745 0.07044 0.12370 -0.20723 0.00624
388 14F-2 -0.11682 -0.12370 -0.21328 -0.11965 -0.05471
389 14F+3 0.00000 0.16240 -0.09376 -0.35877 -0.15761
390 14F-3 0.31644 -0.04229 -0.07326 0.00000 -0.05577
391 8 H 1S 0.05078 0.00292 -0.00505 0.00000 0.04269
392 2S -0.22158 -0.25569 0.44286 0.00000 -0.64841
393 3S -2.93233 0.43534 -0.75403 0.00000 -2.47112
394 4S -2.49617 -2.17183 3.76173 0.00000 -1.16538
395 5S -0.20938 -0.02964 0.05133 0.00000 -0.25545
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397 6PY 0.02547 0.00846 0.01399 -0.04606 -0.04615
398 6PZ -0.07410 -0.00960 0.01663 0.00000 0.08657
399 7PX -0.19382 0.23442 -0.48161 -0.26553 0.40843
400 7PY -0.11190 0.21092 -0.23442 0.45991 -0.35313
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402 8PX -0.87438 -0.00278 0.06664 -0.03773 0.82932
403 8PY -0.50482 -0.06343 0.00278 0.06535 -1.03306
404 8PZ -1.97991 -0.62326 1.07952 0.00000 -0.22460
405 9PX 0.48730 0.09267 -0.46491 -0.28381 0.65687
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407 9PZ -0.18302 0.10218 -0.17699 0.00000 0.23948
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410 10D-1 0.01713 0.02216 -0.04214 0.04627 0.00380
411 10D+2 -0.01570 -0.04400 0.02251 -0.08956 0.01159
412 10D-2 -0.02719 -0.02251 0.06999 0.05171 -0.05894
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414 11D+1 -0.13717 -0.13756 0.13615 -0.27419 0.27718
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416 11D+2 -0.00008 0.07317 0.15477 0.61949 -0.47907
417 11D-2 -0.00014 -0.15477 0.10554 -0.35766 0.49231
418 12D 0 -0.72743 0.13937 -0.24139 0.00000 -0.15337
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420 12D-1 -0.24360 0.22748 0.52527 0.09910 0.08342
421 12D+2 -0.31245 0.20117 0.05014 0.73491 -0.41028
422 12D-2 -0.54118 -0.05014 -0.14328 -0.42430 0.41441
423 13F 0 0.00030 0.11449 -0.19830 0.00000 -0.11955
424 13F+1 0.17571 0.17397 0.02918 -0.10005 -0.00504
425 13F-1 0.10144 -0.23006 -0.17397 0.17329 -0.13515
426 13F+2 -0.03018 0.06363 0.13800 -0.01385 -0.12653
427 13F-2 -0.05227 -0.13800 0.09572 0.00799 -0.06859
428 13F+3 0.00000 0.18541 0.10705 -0.01013 0.04963
429 13F-3 -0.00062 0.08624 -0.14937 0.00000 -0.05360
430 14F 0 -0.16615 -0.10902 0.18883 0.00000 0.03589
431 14F+1 -0.15918 -0.26271 0.23522 0.03137 0.05248
432 14F-1 -0.09190 0.06813 0.26271 -0.05434 0.18877
433 14F+2 0.06745 0.07044 -0.12370 0.20723 0.00624
434 14F-2 0.11682 0.12370 -0.21328 -0.11965 0.05471
435 14F+3 0.00000 -0.16240 -0.09376 -0.35877 0.15761
436 14F-3 0.31644 -0.04229 0.07326 0.00000 -0.05577
326 327 328 329 330
(EU)--V (A2U)--V (A1G)--V (EU)--V (EU)--V
Eigenvalues -- 7.19702 7.19739 7.27981 7.31451 7.31451
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15 9PZ 0.00000 -2.15080 4.76843 0.00000 0.00000
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31 13D-2 0.06387 0.00000 0.00000 -1.90313 0.00000
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33 14D+1 2.29971 0.00000 0.00000 -0.21509 0.00000
34 14D-1 0.00000 0.00000 0.00000 0.00000 -0.21509
35 14D+2 0.00000 0.00000 0.00000 0.00000 3.88064
36 14D-2 -1.34498 0.00000 0.00000 3.88064 0.00000
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40 15D+2 0.00000 0.00000 0.00000 0.00000 0.05782
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45 16F+2 0.00000 0.00000 0.00000 0.00000 -0.14040
46 16F-2 -0.05442 0.00000 0.00000 -0.14040 0.00000
47 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000
48 16F-3 0.00000 -0.08837 0.29778 0.00000 0.00000
49 17F 0 0.00000 -1.53118 0.36331 0.00000 0.00000
50 17F+1 -0.72981 0.00000 0.00000 1.50678 0.00000
51 17F-1 0.00000 0.00000 0.00000 0.00000 1.50678
52 17F+2 0.00000 0.00000 0.00000 0.00000 -1.39790
53 17F-2 0.56179 0.00000 0.00000 -1.39790 0.00000
54 17F+3 0.00000 0.00000 0.00000 0.00000 0.00000
55 17F-3 0.00000 -0.54601 -1.02446 0.00000 0.00000
56 18F 0 0.00000 -1.70470 1.45619 0.00000 0.00000
57 18F+1 0.29594 0.00000 0.00000 0.53678 0.00000
58 18F-1 0.00000 0.00000 0.00000 0.00000 0.53678
59 18F+2 0.00000 0.00000 0.00000 0.00000 0.34760
60 18F-2 -0.15598 0.00000 0.00000 0.34760 0.00000
61 18F+3 0.00000 0.00000 0.00000 0.00000 0.00000
62 18F-3 0.00000 -1.01366 -2.20272 0.00000 0.00000
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64 19G+1 -0.21551 0.00000 0.00000 0.04827 0.00000
65 19G-1 0.00000 0.00000 0.00000 0.00000 0.04827
66 19G+2 0.00000 0.00000 0.00000 0.00000 -0.36840
67 19G-2 0.48426 0.00000 0.00000 -0.36840 0.00000
68 19G+3 0.00000 0.00000 0.00000 0.00000 0.00000
69 19G-3 0.00000 -0.55096 -0.59842 0.00000 0.00000
70 19G+4 0.00000 0.00000 0.00000 0.00000 -0.17304
71 19G-4 -0.64557 0.00000 0.00000 0.17304 0.00000
72 20G 0 0.00000 0.52687 0.26657 0.00000 0.00000
73 20G+1 -0.23890 0.00000 0.00000 -0.37946 0.00000
74 20G-1 0.00000 0.00000 0.00000 0.00000 -0.37946
75 20G+2 0.00000 0.00000 0.00000 0.00000 0.72535
76 20G-2 -0.17272 0.00000 0.00000 0.72535 0.00000
77 20G+3 0.00000 0.00000 0.00000 0.00000 0.00000
78 20G-3 0.00000 0.10867 0.51542 0.00000 0.00000
79 20G+4 0.00000 0.00000 0.00000 0.00000 -0.13173
80 20G-4 -0.28279 0.00000 0.00000 0.13173 0.00000
81 2 C 1S 0.00000 0.00360 0.00793 0.00000 0.00000
82 2S 0.00000 0.05015 -0.08590 0.00000 0.00000
83 3S 0.00000 2.65230 -2.10063 0.00000 0.00000
84 4S 0.00000 -13.00801 11.70480 0.00000 0.00000
85 5S 0.00000 -17.54717 5.63954 0.00000 0.00000
86 6S 0.00000 -4.92425 0.24335 0.00000 0.00000
87 7PX 0.17892 0.00000 0.00000 0.06699 0.00000
88 7PY 0.00000 0.00000 0.00000 0.00000 0.06699
89 7PZ 0.00000 -0.33403 0.02708 0.00000 0.00000
90 8PX -0.93585 0.00000 0.00000 0.64409 0.00000
91 8PY 0.00000 0.00000 0.00000 0.00000 0.64409
92 8PZ 0.00000 0.54756 0.58928 0.00000 0.00000
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410 10D-1 -0.01410 -0.01181 0.02010 0.00283 0.04723
411 10D+2 -0.05894 -0.01034 0.00369 -0.01614 -0.03394
412 10D-2 -0.05647 -0.01791 0.00639 -0.05258 -0.01614
413 11D 0 -0.40032 -0.25590 0.15791 0.69050 0.39866
414 11D+1 0.19363 0.00736 -0.38594 -0.03525 -0.22575
415 11D-1 0.27718 0.00425 -0.22282 -0.22575 0.22543
416 11D+2 0.49231 0.10594 -0.10399 -0.54873 0.18238
417 11D-2 0.08940 0.18350 -0.18011 -0.45124 -0.54873
418 12D 0 -0.26565 0.12184 -0.03946 0.19474 0.11244
419 12D+1 -0.02048 0.14732 -0.49870 0.00119 -0.17946
420 12D-1 -0.08998 0.08505 -0.28792 -0.17946 0.20841
421 12D+2 0.41441 0.04007 -0.25778 -0.29590 0.22509
422 12D-2 0.06824 0.06941 -0.44649 -0.11659 -0.29590
423 13F 0 -0.20707 -0.27999 -0.10923 0.00315 0.00182
424 13F+1 -0.14097 -0.04821 0.12287 -0.18724 0.03368
425 13F-1 -0.00504 -0.02783 0.07094 0.03368 -0.22613
426 13F+2 -0.06859 -0.10973 0.04569 -0.15541 0.17509
427 13F-2 -0.20573 -0.19006 0.07913 -0.00436 -0.15541
428 13F+3 -0.02865 0.00000 0.00000 -0.07643 0.13239
429 13F-3 -0.09285 -0.00079 0.01033 0.32114 0.18541
430 14F 0 0.06216 0.26401 -0.10473 -0.20615 -0.11902
431 14F+1 0.24937 0.16744 -0.37650 -0.02963 -0.05879
432 14F-1 0.05248 0.09667 -0.21737 -0.05879 0.03825
433 14F+2 0.05471 0.05581 0.12145 -0.05715 0.14239
434 14F-2 0.06941 0.09667 0.21037 0.07640 -0.05715
435 14F+3 -0.09100 0.00000 0.00000 0.19667 -0.34065
436 14F-3 -0.09659 -0.03445 0.20380 -0.11459 -0.06616
331 332 333 334 335
(A1U)--V (A1G)--V (EG)--V (EG)--V (EU)--V
Eigenvalues -- 7.35105 7.36779 7.37223 7.37223 7.49286
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2 2S 0.00000 -0.07457 0.00000 0.00000 0.00000
3 3S 0.00000 -1.43695 0.00000 0.00000 0.00000
4 4S 0.00000 -2.97029 0.00000 0.00000 0.00000
5 5S 0.00000 11.21359 0.00000 0.00000 0.00000
6 6S 0.00000 0.80045 0.00000 0.00000 0.00000
7 7PX 0.00000 0.00000 -0.05817 0.00000 -0.50774
8 7PY 0.00000 0.00000 0.00000 0.05817 0.00000
9 7PZ 0.00000 0.06836 0.00000 0.00000 0.00000
10 8PX 0.00000 0.00000 0.47315 0.00000 1.19431
11 8PY 0.00000 0.00000 0.00000 -0.47315 0.00000
12 8PZ 0.00000 -0.02904 0.00000 0.00000 0.00000
13 9PX 0.00000 0.00000 2.60241 0.00000 3.56798
14 9PY 0.00000 0.00000 0.00000 -2.60241 0.00000
15 9PZ 0.00000 -0.18002 0.00000 0.00000 0.00000
16 10PX 0.00000 0.00000 -1.37605 0.00000 1.32446
17 10PY 0.00000 0.00000 0.00000 1.37605 0.00000
18 10PZ 0.00000 0.41758 0.00000 0.00000 0.00000
19 11PX 0.00000 0.00000 -0.57230 0.00000 0.06565
20 11PY 0.00000 0.00000 0.00000 0.57230 0.00000
21 11PZ 0.00000 -0.10737 0.00000 0.00000 0.00000
22 12D 0 0.00000 0.30285 0.00000 0.00000 0.00000
23 12D+1 0.00000 0.00000 0.00442 0.00000 -0.24021
24 12D-1 0.00000 0.00000 0.00000 -0.00442 0.00000
25 12D+2 0.00000 0.00000 0.00000 -0.42622 0.00000
26 12D-2 0.00000 0.00000 0.42622 0.00000 0.05602
27 13D 0 0.00000 -1.05874 0.00000 0.00000 0.00000
28 13D+1 0.00000 0.00000 0.06237 0.00000 0.51666
29 13D-1 0.00000 0.00000 0.00000 -0.06237 0.00000
30 13D+2 0.00000 0.00000 0.00000 1.86805 0.00000
31 13D-2 0.00000 0.00000 -1.86805 0.00000 -1.19643
32 14D 0 0.00000 -0.33073 0.00000 0.00000 0.00000
33 14D+1 0.00000 0.00000 16.01143 0.00000 -0.43742
34 14D-1 0.00000 0.00000 0.00000 -16.01143 0.00000
35 14D+2 0.00000 0.00000 0.00000 6.50722 0.00000
36 14D-2 0.00000 0.00000 -6.50722 0.00000 -0.25865
37 15D 0 0.00000 0.09561 0.00000 0.00000 0.00000
38 15D+1 0.00000 0.00000 0.02223 0.00000 -0.41669
39 15D-1 0.00000 0.00000 0.00000 -0.02223 0.00000
40 15D+2 0.00000 0.00000 0.00000 -0.03972 0.00000
41 15D-2 0.00000 0.00000 0.03972 0.00000 -1.37823
42 16F 0 0.00000 0.06529 0.00000 0.00000 0.00000
43 16F+1 0.00000 0.00000 0.49136 0.00000 0.25731
44 16F-1 0.00000 0.00000 0.00000 -0.49136 0.00000
45 16F+2 0.00000 0.00000 0.00000 -0.32547 0.00000
46 16F-2 0.00000 0.00000 0.32547 0.00000 0.07107
47 16F+3 -0.00018 0.00000 0.00000 0.00000 0.00000
48 16F-3 0.00000 0.19525 0.00000 0.00000 0.00000
49 17F 0 0.00000 -0.63994 0.00000 0.00000 0.00000
50 17F+1 0.00000 0.00000 -3.38337 0.00000 -0.83175
51 17F-1 0.00000 0.00000 0.00000 3.38337 0.00000
52 17F+2 0.00000 0.00000 0.00000 1.22849 0.00000
53 17F-2 0.00000 0.00000 -1.22849 0.00000 -1.66093
54 17F+3 0.75069 0.00000 0.00000 0.00000 0.00000
55 17F-3 0.00000 -1.34697 0.00000 0.00000 0.00000
56 18F 0 0.00000 -1.35446 0.00000 0.00000 0.00000
57 18F+1 0.00000 0.00000 -2.84518 0.00000 -0.21517
58 18F-1 0.00000 0.00000 0.00000 2.84518 0.00000
59 18F+2 0.00000 0.00000 0.00000 3.20390 0.00000
60 18F-2 0.00000 0.00000 -3.20390 0.00000 -1.32385
61 18F+3 -0.04159 0.00000 0.00000 0.00000 0.00000
62 18F-3 0.00000 -1.43335 0.00000 0.00000 0.00000
63 19G 0 0.00000 0.19345 0.00000 0.00000 0.00000
64 19G+1 0.00000 0.00000 0.11408 0.00000 -0.17414
65 19G-1 0.00000 0.00000 0.00000 -0.11408 0.00000
66 19G+2 0.00000 0.00000 0.00000 -0.40192 0.00000
67 19G-2 0.00000 0.00000 0.40192 0.00000 0.03158
68 19G+3 0.71147 0.00000 0.00000 0.00000 0.00000
69 19G-3 0.00000 -0.27899 0.00000 0.00000 0.00000
70 19G+4 0.00000 0.00000 0.00000 -0.17050 0.00000
71 19G-4 0.00000 0.00000 -0.17050 0.00000 -0.08857
72 20G 0 0.00000 0.17750 0.00000 0.00000 0.00000
73 20G+1 0.00000 0.00000 0.68457 0.00000 0.18187
74 20G-1 0.00000 0.00000 0.00000 -0.68457 0.00000
75 20G+2 0.00000 0.00000 0.00000 0.66278 0.00000
76 20G-2 0.00000 0.00000 -0.66278 0.00000 1.48652
77 20G+3 -0.15454 0.00000 0.00000 0.00000 0.00000
78 20G-3 0.00000 -0.72506 0.00000 0.00000 0.00000
79 20G+4 0.00000 0.00000 0.00000 -0.01071 0.00000
80 20G-4 0.00000 0.00000 -0.01071 0.00000 0.11135
81 2 C 1S 0.00000 0.01652 0.00000 0.00000 0.00000
82 2S 0.00000 -0.07457 0.00000 0.00000 0.00000
83 3S 0.00000 -1.43695 0.00000 0.00000 0.00000
84 4S 0.00000 -2.97029 0.00000 0.00000 0.00000
85 5S 0.00000 11.21359 0.00000 0.00000 0.00000
86 6S 0.00000 0.80045 0.00000 0.00000 0.00000
87 7PX 0.00000 0.00000 0.05817 0.00000 -0.50774
88 7PY 0.00000 0.00000 0.00000 -0.05817 0.00000
89 7PZ 0.00000 -0.06836 0.00000 0.00000 0.00000
90 8PX 0.00000 0.00000 -0.47315 0.00000 1.19431
91 8PY 0.00000 0.00000 0.00000 0.47315 0.00000
92 8PZ 0.00000 0.02904 0.00000 0.00000 0.00000
93 9PX 0.00000 0.00000 -2.60241 0.00000 3.56798
94 9PY 0.00000 0.00000 0.00000 2.60241 0.00000
95 9PZ 0.00000 0.18002 0.00000 0.00000 0.00000
96 10PX 0.00000 0.00000 1.37605 0.00000 1.32446
97 10PY 0.00000 0.00000 0.00000 -1.37605 0.00000
98 10PZ 0.00000 -0.41758 0.00000 0.00000 0.00000
99 11PX 0.00000 0.00000 0.57230 0.00000 0.06565
100 11PY 0.00000 0.00000 0.00000 -0.57230 0.00000
101 11PZ 0.00000 0.10737 0.00000 0.00000 0.00000
102 12D 0 0.00000 0.30285 0.00000 0.00000 0.00000
103 12D+1 0.00000 0.00000 0.00442 0.00000 0.24021
104 12D-1 0.00000 0.00000 0.00000 -0.00442 0.00000
105 12D+2 0.00000 0.00000 0.00000 -0.42622 0.00000
106 12D-2 0.00000 0.00000 0.42622 0.00000 -0.05602
107 13D 0 0.00000 -1.05874 0.00000 0.00000 0.00000
108 13D+1 0.00000 0.00000 0.06237 0.00000 -0.51666
109 13D-1 0.00000 0.00000 0.00000 -0.06237 0.00000
110 13D+2 0.00000 0.00000 0.00000 1.86805 0.00000
111 13D-2 0.00000 0.00000 -1.86805 0.00000 1.19643
112 14D 0 0.00000 -0.33073 0.00000 0.00000 0.00000
113 14D+1 0.00000 0.00000 16.01143 0.00000 0.43742
114 14D-1 0.00000 0.00000 0.00000 -16.01143 0.00000
115 14D+2 0.00000 0.00000 0.00000 6.50722 0.00000
116 14D-2 0.00000 0.00000 -6.50722 0.00000 0.25865
117 15D 0 0.00000 0.09561 0.00000 0.00000 0.00000
118 15D+1 0.00000 0.00000 0.02223 0.00000 0.41669
119 15D-1 0.00000 0.00000 0.00000 -0.02223 0.00000
120 15D+2 0.00000 0.00000 0.00000 -0.03972 0.00000
121 15D-2 0.00000 0.00000 0.03972 0.00000 1.37823
122 16F 0 0.00000 -0.06529 0.00000 0.00000 0.00000
123 16F+1 0.00000 0.00000 -0.49136 0.00000 0.25731
124 16F-1 0.00000 0.00000 0.00000 0.49136 0.00000
125 16F+2 0.00000 0.00000 0.00000 0.32547 0.00000
126 16F-2 0.00000 0.00000 -0.32547 0.00000 0.07107
127 16F+3 -0.00018 0.00000 0.00000 0.00000 0.00000
128 16F-3 0.00000 -0.19525 0.00000 0.00000 0.00000
129 17F 0 0.00000 0.63994 0.00000 0.00000 0.00000
130 17F+1 0.00000 0.00000 3.38337 0.00000 -0.83175
131 17F-1 0.00000 0.00000 0.00000 -3.38337 0.00000
132 17F+2 0.00000 0.00000 0.00000 -1.22849 0.00000
133 17F-2 0.00000 0.00000 1.22849 0.00000 -1.66093
134 17F+3 0.75069 0.00000 0.00000 0.00000 0.00000
135 17F-3 0.00000 1.34697 0.00000 0.00000 0.00000
136 18F 0 0.00000 1.35446 0.00000 0.00000 0.00000
137 18F+1 0.00000 0.00000 2.84518 0.00000 -0.21517
138 18F-1 0.00000 0.00000 0.00000 -2.84518 0.00000
139 18F+2 0.00000 0.00000 0.00000 -3.20390 0.00000
140 18F-2 0.00000 0.00000 3.20390 0.00000 -1.32385
141 18F+3 -0.04159 0.00000 0.00000 0.00000 0.00000
142 18F-3 0.00000 1.43335 0.00000 0.00000 0.00000
143 19G 0 0.00000 0.19345 0.00000 0.00000 0.00000
144 19G+1 0.00000 0.00000 0.11408 0.00000 0.17414
145 19G-1 0.00000 0.00000 0.00000 -0.11408 0.00000
146 19G+2 0.00000 0.00000 0.00000 -0.40192 0.00000
147 19G-2 0.00000 0.00000 0.40192 0.00000 -0.03158
148 19G+3 -0.71147 0.00000 0.00000 0.00000 0.00000
149 19G-3 0.00000 -0.27899 0.00000 0.00000 0.00000
150 19G+4 0.00000 0.00000 0.00000 -0.17050 0.00000
151 19G-4 0.00000 0.00000 -0.17050 0.00000 0.08857
152 20G 0 0.00000 0.17750 0.00000 0.00000 0.00000
153 20G+1 0.00000 0.00000 0.68457 0.00000 -0.18187
154 20G-1 0.00000 0.00000 0.00000 -0.68457 0.00000
155 20G+2 0.00000 0.00000 0.00000 0.66278 0.00000
156 20G-2 0.00000 0.00000 -0.66278 0.00000 -1.48652
157 20G+3 0.15454 0.00000 0.00000 0.00000 0.00000
158 20G-3 0.00000 -0.72506 0.00000 0.00000 0.00000
159 20G+4 0.00000 0.00000 0.00000 -0.01071 0.00000
160 20G-4 0.00000 0.00000 -0.01071 0.00000 -0.11135
161 3 H 1S 0.00000 -0.00701 0.00000 0.03063 0.00000
162 2S 0.00000 -1.40541 0.00000 0.67593 0.00000
163 3S 0.00000 -2.31377 0.00000 20.05806 0.00000
164 4S 0.00000 -1.74821 0.00000 -0.54814 0.00000
165 5S 0.00000 -0.03435 0.00000 -0.38533 0.00000
166 6PX -0.05723 0.00000 0.17808 0.00000 0.11885
167 6PY 0.00000 -0.04773 0.00000 -0.04794 0.00000
168 6PZ 0.00000 0.05069 0.00000 -0.03887 0.00000
169 7PX 0.39162 0.00000 0.05360 0.00000 0.12279
170 7PY 0.00000 0.39995 0.00000 -0.35360 0.00000
171 7PZ 0.00000 0.24101 0.00000 -0.62000 0.00000
172 8PX 0.32471 0.00000 1.56637 0.00000 0.96305
173 8PY 0.00000 -0.94993 0.00000 -5.02704 0.00000
174 8PZ 0.00000 0.20041 0.00000 -0.25456 0.00000
175 9PX 0.05149 0.00000 0.35850 0.00000 0.87047
176 9PY 0.00000 0.11834 0.00000 0.01926 0.00000
177 9PZ 0.00000 0.17034 0.00000 -0.20709 0.00000
178 10D 0 0.00000 0.03036 0.00000 -0.02268 0.00000
179 10D+1 -0.01083 0.00000 0.00557 0.00000 0.01251
180 10D-1 0.00000 -0.05263 0.00000 0.09248 0.00000
181 10D+2 0.00000 0.06641 0.00000 -0.08196 0.00000
182 10D-2 0.00370 0.00000 -0.03549 0.00000 -0.05408
183 11D 0 0.00000 -0.25673 0.00000 0.30813 0.00000
184 11D+1 -0.12272 0.00000 0.13001 0.00000 -0.16082
185 11D-1 0.00000 -0.11214 0.00000 0.60675 0.00000
186 11D+2 0.00000 -0.16370 0.00000 0.07938 0.00000
187 11D-2 -0.40713 0.00000 -0.58839 0.00000 -0.25363
188 12D 0 0.00000 -0.28156 0.00000 -0.24005 0.00000
189 12D+1 -0.31283 0.00000 0.89729 0.00000 0.20321
190 12D-1 0.00000 -0.05156 0.00000 0.34751 0.00000
191 12D+2 0.00000 -0.16078 0.00000 0.47449 0.00000
192 12D-2 -0.10639 0.00000 -0.56214 0.00000 -0.22633
193 13F 0 0.00000 -0.36697 0.00000 0.09888 0.00000
194 13F+1 -0.31942 0.00000 0.18892 0.00000 -0.40527
195 13F-1 0.00000 0.12021 0.00000 -0.21603 0.00000
196 13F+2 0.00000 0.20657 0.00000 0.10591 0.00000
197 13F-2 -0.26671 0.00000 -0.04960 0.00000 0.14247
198 13F+3 -0.23926 0.00000 -0.22584 0.00000 -0.09664
199 13F-3 0.00000 -0.03340 0.00000 0.24748 0.00000
200 14F 0 0.00000 0.15607 0.00000 -0.00472 0.00000
201 14F+1 0.12739 0.00000 -0.32617 0.00000 0.05133
202 14F-1 0.00000 0.08370 0.00000 -0.41703 0.00000
203 14F+2 0.00000 -0.16650 0.00000 0.01046 0.00000
204 14F-2 0.26830 0.00000 -0.16553 0.00000 -0.01918
205 14F+3 -0.02525 0.00000 -0.17183 0.00000 0.03757
206 14F-3 0.00000 -0.03296 0.00000 -0.44133 0.00000
207 4 H 1S 0.00000 -0.00701 0.02653 -0.01531 0.18622
208 2S 0.00000 -1.40541 0.58537 -0.33797 0.41553
209 3S 0.00000 -2.31377 17.37079 -10.02903 4.61551
210 4S 0.00000 -1.74821 -0.47471 0.27407 2.22551
211 5S 0.00000 -0.03435 -0.33371 0.19267 0.06508
212 6PX 0.02862 0.04133 0.08047 0.05636 -0.14571
213 6PY -0.04956 0.02386 -0.05636 -0.14555 -0.15274
214 6PZ 0.00000 0.05069 -0.03366 0.01944 0.03622
215 7PX -0.19581 -0.34637 0.27860 -0.12991 0.70578
216 7PY 0.33916 -0.19998 0.12991 -0.12860 0.33659
217 7PZ 0.00000 0.24101 -0.53694 0.31000 -0.69140
218 8PX -0.16236 0.82267 4.16187 -1.49852 1.38855
219 8PY 0.28121 0.47497 1.49852 -2.43153 0.24566
220 8PZ 0.00000 0.20041 -0.22045 0.12728 -1.26688
221 9PX -0.02574 -0.10249 0.07518 0.16358 0.18826
222 9PY 0.04459 -0.05917 -0.16358 -0.26406 -0.39388
223 9PZ 0.00000 0.17034 -0.17934 0.10354 -0.51190
224 10D 0 0.00000 0.03036 -0.01964 0.01134 -0.03029
225 10D+1 0.00542 0.04558 -0.06797 0.04246 -0.00652
226 10D-1 -0.00938 0.02631 -0.04246 0.01894 -0.01099
227 10D+2 0.00320 -0.03320 0.05085 0.00612 0.03608
228 10D-2 -0.00185 -0.05751 0.05260 -0.05085 0.00842
229 11D 0 0.00000 -0.25673 0.26685 -0.15406 -0.16032
230 11D+1 0.06136 0.09712 -0.42256 0.31903 -0.44368
231 11D-1 -0.10628 0.05607 -0.31903 0.05418 -0.16331
232 11D+2 -0.35259 0.08185 0.22041 0.46114 0.20622
233 11D-2 0.20357 0.14177 -0.20663 -0.22041 0.10355
234 12D 0 0.00000 -0.28156 -0.20789 0.12002 0.26171
235 12D+1 0.15642 0.04465 -0.03631 0.53901 0.02536
236 12D-1 -0.27092 0.02578 -0.53901 -0.58609 -0.10268
237 12D+2 -0.09214 0.08039 0.03795 0.54023 0.18313
238 12D-2 0.05320 0.13924 -0.49640 -0.03795 0.09085
239 13F 0 0.00000 -0.36697 0.08563 -0.04944 0.23355
240 13F+1 0.15971 -0.10411 0.20925 -0.01174 -0.12434
241 13F-1 -0.27662 -0.06011 0.01174 -0.19570 0.16219
242 13F+2 -0.23098 -0.10329 -0.02439 0.06368 -0.04844
243 13F-2 0.13336 -0.17890 -0.09183 0.02439 0.05856
244 13F+3 -0.23926 0.00000 0.11292 0.19558 0.04832
245 13F-3 0.00000 -0.03340 0.21432 -0.12374 -0.07234
246 14F 0 0.00000 0.15607 -0.00409 0.00236 -0.18314
247 14F+1 -0.06370 -0.07248 0.23123 -0.32181 -0.02784
248 14F-1 0.11033 -0.04185 0.32181 0.14037 -0.04571
249 14F+2 0.23236 0.08325 0.06715 0.12676 0.03332
250 14F-2 -0.13415 0.14419 -0.04922 -0.06715 0.03853
251 14F+3 -0.02525 0.00000 0.08591 0.14881 -0.01879
252 14F-3 0.00000 -0.03296 -0.38220 0.22066 0.05844
253 5 H 1S 0.00000 -0.00701 -0.02653 -0.01531 -0.18622
254 2S 0.00000 -1.40541 -0.58537 -0.33797 -0.41553
255 3S 0.00000 -2.31377 -17.37079 -10.02903 -4.61551
256 4S 0.00000 -1.74821 0.47471 0.27407 -2.22551
257 5S 0.00000 -0.03435 0.33371 0.19267 -0.06508
258 6PX 0.02862 -0.04133 0.08047 -0.05636 -0.14571
259 6PY 0.04956 0.02386 0.05636 -0.14555 0.15274
260 6PZ 0.00000 0.05069 0.03366 0.01944 -0.03622
261 7PX -0.19581 0.34637 0.27860 0.12991 0.70578
262 7PY -0.33916 -0.19998 -0.12991 -0.12860 -0.33659
263 7PZ 0.00000 0.24101 0.53694 0.31000 0.69140
264 8PX -0.16236 -0.82267 4.16187 1.49852 1.38855
265 8PY -0.28121 0.47497 -1.49852 -2.43153 -0.24566
266 8PZ 0.00000 0.20041 0.22045 0.12728 1.26688
267 9PX -0.02574 0.10249 0.07518 -0.16358 0.18826
268 9PY -0.04459 -0.05917 0.16358 -0.26406 0.39388
269 9PZ 0.00000 0.17034 0.17934 0.10354 0.51190
270 10D 0 0.00000 0.03036 0.01964 0.01134 0.03029
271 10D+1 0.00542 -0.04558 -0.06797 -0.04246 -0.00652
272 10D-1 0.00938 0.02631 0.04246 0.01894 0.01099
273 10D+2 -0.00320 -0.03320 -0.05085 0.00612 -0.03608
274 10D-2 -0.00185 0.05751 0.05260 0.05085 0.00842
275 11D 0 0.00000 -0.25673 -0.26685 -0.15406 0.16032
276 11D+1 0.06136 -0.09712 -0.42256 -0.31903 -0.44368
277 11D-1 0.10628 0.05607 0.31903 0.05418 0.16331
278 11D+2 0.35259 0.08185 -0.22041 0.46114 -0.20622
279 11D-2 0.20357 -0.14177 -0.20663 0.22041 0.10355
280 12D 0 0.00000 -0.28156 0.20789 0.12002 -0.26171
281 12D+1 0.15642 -0.04465 -0.03631 -0.53901 0.02536
282 12D-1 0.27092 0.02578 0.53901 -0.58609 0.10268
283 12D+2 0.09214 0.08039 -0.03795 0.54023 -0.18313
284 12D-2 0.05320 -0.13924 -0.49640 0.03795 0.09085
285 13F 0 0.00000 -0.36697 -0.08563 -0.04944 -0.23355
286 13F+1 0.15971 0.10411 0.20925 0.01174 -0.12434
287 13F-1 0.27662 -0.06011 -0.01174 -0.19570 -0.16219
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289 13F-2 0.13336 0.17890 -0.09183 -0.02439 0.05856
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287 13F-1 0.31162 0.01529 -0.03943 -0.02801 -0.09828
288 13F+2 -0.11450 0.09199 -0.01164 -0.06087 0.08460
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290 13F+3 -0.08370 0.00000 0.02372 0.04108 0.03254
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298 14F-3 -0.03374 0.10572 0.00913 -0.00527 0.08682
299 6 H 1S -0.21503 -0.12726 0.00000 0.10859 0.00000
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301 3S -5.32953 -11.46448 0.00000 -8.48459 0.00000
302 4S -2.56980 -5.28494 0.00000 1.24662 0.00000
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314 9PY 0.03915 -0.93622 0.00000 0.44902 0.00000
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343 14F+3 0.00000 0.00000 -0.38268 0.00000 0.27032
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346 2S 0.23990 0.71267 -1.05834 0.61103 0.96259
347 3S 2.66476 -11.46448 -7.34787 4.24229 -5.34504
348 4S 1.28490 -5.28494 1.07961 -0.62331 1.53650
349 5S 0.03757 -0.17094 -0.24008 0.13861 0.19345
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355 7PZ 0.39918 -0.44244 0.07707 -0.04450 -0.65138
356 8PX 0.24566 -3.32089 -1.00941 0.74155 -2.47073
357 8PY -1.10489 1.91732 0.74155 -0.15315 1.60909
358 8PZ 0.73144 -1.75508 -0.38302 0.22114 -2.01731
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360 9PY -0.64307 0.46811 -0.02467 0.40629 -0.53310
361 9PZ 0.29554 -0.53167 0.01283 -0.00741 -0.28916
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366 10D-2 -0.03608 -0.07516 0.02783 -0.06173 -0.01837
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369 11D-1 -0.25511 0.30379 0.01012 0.44009 0.33057
370 11D+2 -0.13457 -0.32988 0.32481 0.50479 -0.41735
371 11D-2 -0.20622 0.57137 0.12972 0.32481 0.50339
372 12D 0 0.15110 0.02053 0.35237 -0.20344 0.18519
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374 12D-1 0.14393 0.02221 0.25342 0.55896 -0.16676
375 12D+2 -0.12060 -0.01298 0.23881 0.32733 -0.26927
376 12D-2 -0.18313 0.02247 0.05158 0.23881 0.15194
377 13F 0 -0.13484 0.12446 -0.20089 0.11598 -0.05371
378 13F+1 0.16219 0.02649 -0.01752 0.03943 -0.08305
379 13F-1 0.31162 -0.01529 0.03943 0.02801 0.09828
380 13F+2 -0.11450 -0.09199 0.01164 0.06087 -0.08460
381 13F-2 -0.04844 0.15933 0.04742 0.01164 0.00885
382 13F+3 -0.08370 0.00000 -0.02372 -0.04108 -0.03254
383 13F-3 0.04176 0.05452 -0.08504 0.04910 0.06218
384 14F 0 0.10574 -0.03918 0.10880 -0.06281 0.01098
385 14F+1 -0.04571 0.02463 0.11808 -0.08270 -0.01440
386 14F-1 -0.02494 -0.01422 -0.08270 0.02259 -0.04656
387 14F+2 -0.00005 0.02929 0.25986 0.17438 -0.11142
388 14F-2 0.03332 -0.05074 -0.12569 0.25986 0.04867
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420 12D-1 0.14393 0.02221 -0.25342 0.55896 0.16676
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422 12D-2 0.18313 -0.02247 0.05158 -0.23881 0.15194
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426 13F+2 -0.11450 -0.09199 -0.01164 0.06087 0.08460
427 13F-2 0.04844 -0.15933 0.04742 -0.01164 0.00885
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429 13F-3 0.04176 0.05452 0.08504 0.04910 -0.06218
430 14F 0 0.10574 -0.03918 -0.10880 -0.06281 -0.01098
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432 14F-1 -0.02494 -0.01422 0.08270 0.02259 0.04656
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434 14F-2 -0.03332 0.05074 -0.12569 -0.25986 0.04867
435 14F+3 -0.03254 0.00000 0.19134 -0.33141 -0.13516
436 14F-3 -0.03374 -0.10572 0.00913 0.00527 0.08682
341 342 343 344 345
(EG)--V (EU)--V (EU)--V (A2U)--V (A2U)--V
Eigenvalues -- 7.69019 7.82373 7.82373 7.82790 7.84630
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4 4S 0.00000 0.00000 0.00000 -3.41056 7.86123
5 5S 0.00000 0.00000 0.00000 10.74938 -0.63215
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11 8PY -2.03190 -0.73659 0.00000 0.00000 0.00000
12 8PZ 0.00000 0.00000 0.00000 -0.27665 1.99892
13 9PX 0.00000 0.00000 -0.39032 0.00000 0.00000
14 9PY -3.14935 0.39032 0.00000 0.00000 0.00000
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17 10PY 1.18762 -0.27592 0.00000 0.00000 0.00000
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351 352 353 354 355
(EU)--V (EU)--V (EU)--V (A2U)--V (EG)--V
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420 12D-1 -0.06533 -0.26817 -0.40545 0.04974 0.05971
421 12D+2 0.14317 0.17123 0.02760 0.10076 0.06217
422 12D-2 0.31657 0.22532 0.17123 0.17452 -0.25357
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425 13F-1 -0.04275 -0.06163 -0.17863 -0.12793 0.12401
426 13F+2 0.11302 0.27439 -0.25627 -0.07630 0.17481
427 13F-2 -0.07376 0.06058 0.27439 -0.13215 -0.22473
428 13F+3 0.08389 0.01101 -0.01907 0.00000 -0.24508
429 13F-3 -0.02697 -0.10774 -0.06220 -0.08926 -0.05880
430 14F 0 0.05339 -0.06586 -0.03803 -0.17040 -0.06887
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434 14F-2 -0.02022 0.06926 0.02992 0.02793 0.01447
435 14F+3 -0.13503 -0.01616 0.02798 0.00000 0.02078
436 14F-3 -0.05500 0.05997 0.03462 -0.04806 0.02316
356 357 358 359 360
(EG)--V (A1G)--V (EU)--V (EU)--V (A2U)--V
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283 12D+2 0.25357 0.02131 0.08851 -0.24964 0.08175
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286 13F+1 -0.09080 0.14945 0.29155 -0.21503 -0.13779
287 13F-1 -0.02876 -0.08629 -0.21503 0.04326 0.07955
288 13F+2 -0.22473 -0.05234 -0.02617 -0.01656 -0.15342
289 13F-2 0.08468 0.09065 0.01366 -0.02617 0.26574
290 13F+3 -0.14150 0.00000 0.11951 0.20700 0.00000
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292 14F 0 -0.11928 -0.03642 -0.04098 0.02366 -0.04160
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294 14F-1 -0.05841 -0.01765 0.03478 0.08144 0.01226
295 14F+2 0.01447 0.10908 -0.06602 -0.02913 0.03746
296 14F-2 0.05049 -0.18893 0.04711 -0.06602 -0.06489
297 14F+3 0.01200 0.00000 -0.04924 -0.08528 0.00000
298 14F-3 0.04012 -0.01775 -0.02103 0.01214 -0.01741
299 6 H 1S 0.00000 -0.02491 0.00000 -0.04068 -0.00272
300 2S 0.00000 -0.30378 0.00000 0.36795 0.20397
301 3S 0.00000 -1.89918 0.00000 -0.57330 -0.79686
302 4S 0.00000 -1.18580 0.00000 2.19821 -0.15620
303 5S 0.00000 -0.02199 0.00000 0.18724 0.04214
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309 7PZ 0.00000 -0.11970 0.00000 -0.81534 0.36906
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312 8PZ 0.00000 -0.53860 0.00000 -1.37417 -1.59736
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315 9PZ 0.00000 -0.29989 0.00000 0.13658 -0.64398
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324 11D+2 0.00000 -0.44263 0.00000 0.43685 0.29357
325 11D-2 0.34609 0.00000 0.14413 0.00000 0.00000
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327 12D+1 -0.01097 0.00000 -0.18521 0.00000 0.00000
328 12D-1 0.00000 -0.11340 0.00000 -0.48494 -0.26817
329 12D+2 0.00000 -0.04263 0.00000 0.40294 0.16350
330 12D-2 0.20857 0.00000 0.19854 0.00000 0.00000
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332 13F+1 0.14062 0.00000 -0.08089 0.00000 0.00000
333 13F-1 0.00000 -0.17257 0.00000 0.41570 -0.15911
334 13F+2 0.00000 -0.10467 0.00000 0.02877 0.30685
335 13F-2 0.30456 0.00000 -0.03167 0.00000 0.00000
336 13F+3 -0.28300 0.00000 -0.23902 0.00000 0.00000
337 13F-3 0.00000 -0.46340 0.00000 0.07230 0.28835
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342 14F-2 -0.07555 0.00000 -0.06725 0.00000 0.00000
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344 14F-3 0.00000 0.01775 0.00000 -0.02428 -0.01741
345 7 H 1S 0.08348 -0.02491 -0.03523 0.02034 -0.00272
346 2S -0.85960 -0.30378 0.31865 -0.18397 0.20397
347 3S -0.49976 -1.89918 -0.49649 0.28665 -0.79686
348 4S -3.33007 -1.18580 1.90370 -1.09910 -0.15620
349 5S -0.37488 -0.02199 0.16215 -0.09362 0.04214
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352 6PZ 0.18316 -0.07389 0.19286 -0.11135 -0.35891
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354 7PY -0.01991 0.04409 -0.33413 -0.30211 0.03955
355 7PZ 0.00191 -0.11970 -0.70611 0.40767 0.36906
356 8PX 0.92200 0.46408 -1.47226 1.60528 -0.54267
357 8PY 0.13467 -0.26794 1.60528 0.38136 0.31331
358 8PZ 1.66100 -0.53860 -1.19006 0.68708 -1.59736
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360 9PY 0.11778 0.04989 0.33552 0.20462 0.03726
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366 10D-2 0.02762 -0.03581 -0.09920 0.09843 0.01169
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368 11D+1 0.59855 -0.28707 -0.54359 0.20195 -0.40497
369 11D-1 -0.17187 0.16574 0.20195 -0.31040 0.23381
370 11D+2 0.23371 0.22132 -0.12675 0.21731 -0.14678
371 11D-2 -0.05871 -0.38333 0.36367 -0.12675 0.25424
372 12D 0 0.07159 -0.16750 0.15070 -0.08701 -0.29742
373 12D+1 0.20108 -0.09821 -0.41001 0.12979 -0.23224
374 12D-1 -0.12243 0.05670 0.12979 -0.26015 0.13409
375 12D+2 0.25357 0.02131 -0.08851 0.24964 -0.08175
376 12D-2 -0.23063 -0.03692 0.35184 -0.08851 0.14160
377 13F 0 -0.29315 -0.03991 0.21366 -0.12336 0.16455
378 13F+1 0.09080 -0.14945 0.29155 -0.21503 -0.13779
379 13F-1 0.02876 0.08629 -0.21503 0.04326 0.07955
380 13F+2 0.22473 0.05234 -0.02617 -0.01656 -0.15342
381 13F-2 -0.08468 -0.09065 0.01366 -0.02617 0.26574
382 13F+3 0.14150 0.00000 0.11951 0.20700 0.00000
383 13F-3 0.10184 -0.46340 0.06262 -0.03615 0.28835
384 14F 0 0.11928 0.03642 -0.04098 0.02366 -0.04160
385 14F+1 -0.08962 -0.03058 0.04127 0.03478 -0.02123
386 14F-1 0.05841 0.01765 0.03478 0.08144 0.01226
387 14F+2 -0.01447 -0.10908 -0.06602 -0.02913 0.03746
388 14F-2 -0.05049 0.18893 0.04711 -0.06602 -0.06489
389 14F+3 -0.01200 0.00000 -0.04924 -0.08528 0.00000
390 14F-3 -0.04012 0.01775 -0.02103 0.01214 -0.01741
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392 2S 0.85960 -0.30378 -0.31865 -0.18397 0.20397
393 3S 0.49976 -1.89918 0.49649 0.28665 -0.79686
394 4S 3.33007 -1.18580 -1.90370 -1.09910 -0.15620
395 5S 0.37488 -0.02199 -0.16215 -0.09362 0.04214
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399 7PX -0.29387 0.07637 0.08371 0.33413 0.06850
400 7PY 0.01991 0.04409 0.33413 -0.30211 0.03955
401 7PZ -0.00191 -0.11970 0.70611 0.40767 0.36906
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403 8PY -0.13467 -0.26794 -1.60528 0.38136 0.31331
404 8PZ -1.66100 -0.53860 1.19006 0.68708 -1.59736
405 9PX -0.02736 0.08642 -0.18281 -0.33552 0.06454
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407 9PZ 0.07341 -0.29989 -0.11828 -0.06829 -0.64398
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411 10D+2 0.05724 0.02068 -0.09843 0.01445 -0.00675
412 10D-2 0.02762 0.03581 -0.09920 -0.09843 -0.01169
413 11D 0 0.07778 -0.27582 -0.35949 -0.20755 -0.09749
414 11D+1 0.59855 0.28707 -0.54359 -0.20195 0.40497
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420 12D-1 0.12243 0.05670 -0.12979 -0.26015 0.13409
421 12D+2 -0.25357 0.02131 0.08851 0.24964 -0.08175
422 12D-2 -0.23063 0.03692 0.35184 0.08851 -0.14160
423 13F 0 0.29315 -0.03991 -0.21366 -0.12336 0.16455
424 13F+1 0.09080 0.14945 0.29155 0.21503 0.13779
425 13F-1 -0.02876 0.08629 0.21503 0.04326 0.07955
426 13F+2 -0.22473 0.05234 0.02617 -0.01656 -0.15342
427 13F-2 -0.08468 0.09065 0.01366 0.02617 -0.26574
428 13F+3 0.14150 0.00000 0.11951 -0.20700 0.00000
429 13F-3 -0.10184 -0.46340 -0.06262 -0.03615 0.28835
430 14F 0 -0.11928 0.03642 0.04098 0.02366 -0.04160
431 14F+1 -0.08962 0.03058 0.04127 -0.03478 0.02123
432 14F-1 -0.05841 0.01765 -0.03478 0.08144 0.01226
433 14F+2 0.01447 -0.10908 0.06602 -0.02913 0.03746
434 14F-2 -0.05049 -0.18893 0.04711 0.06602 0.06489
435 14F+3 -0.01200 0.00000 -0.04924 0.08528 0.00000
436 14F-3 0.04012 0.01775 0.02103 0.01214 -0.01741
361 362 363 364 365
(EG)--V (EG)--V (EU)--V (EU)--V (A2U)--V
Eigenvalues -- 8.49840 8.49840 8.56498 8.56498 8.67531
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60 18F-2 -0.57238 0.00000 -1.94696 0.00000 0.00000
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67 19G-2 -0.29888 0.00000 0.01014 0.00000 0.00000
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69 19G-3 0.00000 0.00000 0.00000 0.00000 0.14106
70 19G+4 0.00000 0.14249 0.00000 0.37321 0.00000
71 19G-4 -0.14249 0.00000 0.37321 0.00000 0.00000
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76 20G-2 -0.23456 0.00000 0.61429 0.00000 0.00000
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79 20G+4 0.00000 0.16257 0.00000 -0.21878 0.00000
80 20G-4 -0.16257 0.00000 -0.21878 0.00000 0.00000
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82 2S 0.00000 0.00000 0.00000 0.00000 0.13462
83 3S 0.00000 0.00000 0.00000 0.00000 1.08081
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121 15D-2 -0.81740 0.00000 -0.07384 0.00000 0.00000
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125 16F+2 0.00000 0.28445 0.00000 0.06545 0.00000
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127 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000
128 16F-3 0.00000 0.00000 0.00000 0.00000 0.09091
129 17F 0 0.00000 0.00000 0.00000 0.00000 0.17061
130 17F+1 -1.92014 0.00000 -0.03503 0.00000 0.00000
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132 17F+2 0.00000 0.77086 0.00000 1.18341 0.00000
133 17F-2 0.77086 0.00000 -1.18341 0.00000 0.00000
134 17F+3 0.00000 0.00000 0.00000 0.00000 0.00000
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137 18F+1 -0.59025 0.00000 0.12130 0.00000 0.00000
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366 367 368 369 370
(EG)--V (EG)--V (EU)--V (EU)--V (A1G)--V
Eigenvalues -- 8.69230 8.69230 8.77256 8.77256 8.79782
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33 14D+1 -4.20300 0.00000 -0.24487 0.00000 0.00000
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53 17F-2 -0.24998 0.00000 -0.18679 0.00000 0.00000
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55 17F-3 0.00000 0.00000 0.00000 0.00000 -0.46021
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57 18F+1 0.93962 0.00000 0.40230 0.00000 0.00000
58 18F-1 0.00000 0.93962 0.00000 -0.40230 0.00000
59 18F+2 0.00000 -0.31603 0.00000 1.63520 0.00000
60 18F-2 -0.31603 0.00000 -1.63520 0.00000 0.00000
61 18F+3 0.00000 0.00000 0.00000 0.00000 0.00000
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66 19G+2 0.00000 0.16455 0.00000 -0.26498 0.00000
67 19G-2 0.16455 0.00000 0.26498 0.00000 0.00000
68 19G+3 0.00000 0.00000 0.00000 0.00000 0.00000
69 19G-3 0.00000 0.00000 0.00000 0.00000 -0.17224
70 19G+4 0.00000 -0.40280 0.00000 0.33157 0.00000
71 19G-4 0.40280 0.00000 0.33157 0.00000 0.00000
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75 20G+2 0.00000 0.34903 0.00000 -0.38341 0.00000
76 20G-2 0.34903 0.00000 0.38341 0.00000 0.00000
77 20G+3 0.00000 0.00000 0.00000 0.00000 0.00000
78 20G-3 0.00000 0.00000 0.00000 0.00000 0.96911
79 20G+4 0.00000 -0.35592 0.00000 0.23396 0.00000
80 20G-4 0.35592 0.00000 0.23396 0.00000 0.00000
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82 2S 0.00000 0.00000 0.00000 0.00000 -0.08194
83 3S 0.00000 0.00000 0.00000 0.00000 -0.92271
84 4S 0.00000 0.00000 0.00000 0.00000 -3.01409
85 5S 0.00000 0.00000 0.00000 0.00000 7.22292
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111 13D-2 -1.41375 0.00000 1.32279 0.00000 0.00000
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120 15D+2 0.00000 -0.81005 0.00000 -1.34852 0.00000
121 15D-2 -0.81005 0.00000 1.34852 0.00000 0.00000
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123 16F+1 -0.02845 0.00000 0.25404 0.00000 0.00000
124 16F-1 0.00000 -0.02845 0.00000 -0.25404 0.00000
125 16F+2 0.00000 -0.07472 0.00000 0.08476 0.00000
126 16F-2 -0.07472 0.00000 -0.08476 0.00000 0.00000
127 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000
128 16F-3 0.00000 0.00000 0.00000 0.00000 -0.42856
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131 17F-1 0.00000 -1.76909 0.00000 0.36860 0.00000
132 17F+2 0.00000 0.24998 0.00000 0.18679 0.00000
133 17F-2 0.24998 0.00000 -0.18679 0.00000 0.00000
134 17F+3 0.00000 0.00000 0.00000 0.00000 0.00000
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137 18F+1 -0.93962 0.00000 0.40230 0.00000 0.00000
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142 18F-3 0.00000 0.00000 0.00000 0.00000 1.03907
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147 19G-2 0.16455 0.00000 -0.26498 0.00000 0.00000
148 19G+3 0.00000 0.00000 0.00000 0.00000 0.00000
149 19G-3 0.00000 0.00000 0.00000 0.00000 -0.17224
150 19G+4 0.00000 -0.40280 0.00000 -0.33157 0.00000
151 19G-4 0.40280 0.00000 -0.33157 0.00000 0.00000
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153 20G+1 -0.73118 0.00000 0.06697 0.00000 0.00000
154 20G-1 0.00000 -0.73118 0.00000 -0.06697 0.00000
155 20G+2 0.00000 0.34903 0.00000 0.38341 0.00000
156 20G-2 0.34903 0.00000 -0.38341 0.00000 0.00000
157 20G+3 0.00000 0.00000 0.00000 0.00000 0.00000
158 20G-3 0.00000 0.00000 0.00000 0.00000 0.96911
159 20G+4 0.00000 -0.35592 0.00000 -0.23396 0.00000
160 20G-4 0.35592 0.00000 -0.23396 0.00000 0.00000
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162 2S 0.00000 -0.72193 0.00000 0.19298 0.33676
163 3S 0.00000 -0.04880 0.00000 3.60467 -1.63750
164 4S 0.00000 -3.87699 0.00000 6.14866 -1.14947
165 5S 0.00000 -0.18957 0.00000 0.16466 -0.03801
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169 7PX 0.47072 0.00000 0.36015 0.00000 0.00000
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171 7PZ 0.00000 0.22118 0.00000 -0.77027 0.80434
172 8PX 1.31999 0.00000 2.43470 0.00000 0.00000
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174 8PZ 0.00000 0.15852 0.00000 0.16863 -0.80619
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177 9PZ 0.00000 0.74809 0.00000 -0.87429 -0.31270
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196 13F+2 0.00000 -0.07743 0.00000 -0.23437 0.21053
197 13F-2 0.35349 0.00000 0.46169 0.00000 0.00000
198 13F+3 -0.05728 0.00000 -0.11630 0.00000 0.00000
199 13F-3 0.00000 0.33979 0.00000 -0.27112 0.06875
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204 14F-2 0.10532 0.00000 0.03068 0.00000 0.00000
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207 4 H 1S -0.11866 -0.06851 0.00915 -0.00528 -0.05775
208 2S 0.62521 0.36097 0.16713 -0.09649 0.33676
209 3S 0.04226 0.02440 3.12174 -1.80234 -1.63750
210 4S 3.35757 1.93849 5.32490 -3.07433 -1.14947
211 5S 0.16417 0.09478 0.14260 -0.08233 -0.03801
212 6PX 0.01066 0.06824 -0.12567 0.05300 -0.02256
213 6PY 0.06824 -0.06813 -0.05300 0.06447 -0.01303
214 6PZ 0.12085 0.06977 0.32836 -0.18958 -0.40851
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216 7PY -0.12203 0.40026 -0.06398 -0.32321 0.02626
217 7PZ -0.19155 -0.11059 -0.66708 0.38514 0.80434
218 8PX 0.24346 -0.62154 0.21250 1.28299 0.04580
219 8PY -0.62154 0.96115 -1.28299 -1.69397 0.02644
220 8PZ -0.13728 -0.07926 0.14604 -0.08431 -0.80619
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244 13F+3 0.02864 -0.04961 0.05815 0.10072 0.00000
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250 14F-2 0.03756 -0.03912 0.08619 -0.03205 -0.03257
251 14F+3 0.06595 -0.11424 0.06898 0.11948 0.00000
252 14F-3 -0.05082 -0.02934 -0.08210 0.04740 -0.07796
253 5 H 1S 0.11866 -0.06851 -0.00915 -0.00528 -0.05775
254 2S -0.62521 0.36097 -0.16713 -0.09649 0.33676
255 3S -0.04226 0.02440 -3.12174 -1.80234 -1.63750
256 4S -3.35757 1.93849 -5.32490 -3.07433 -1.14947
257 5S -0.16417 0.09478 -0.14260 -0.08233 -0.03801
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260 6PZ -0.12085 0.06977 -0.32836 -0.18958 -0.40851
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263 7PZ 0.19155 -0.11059 0.66708 0.38514 0.80434
264 8PX 0.24346 0.62154 0.21250 -1.28299 -0.04580
265 8PY 0.62154 0.96115 1.28299 -1.69397 0.02644
266 8PZ 0.13728 -0.07926 -0.14604 -0.08431 -0.80619
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269 9PZ 0.64787 -0.37405 0.75715 0.43714 -0.31270
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290 13F+3 0.02864 0.04961 0.05815 -0.10072 0.00000
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292 14F 0 -0.09127 0.05269 0.03297 0.01903 0.07455
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294 14F-1 -0.02609 -0.03857 -0.07251 0.16479 0.00857
295 14F+2 0.03912 0.08273 -0.03205 -0.04918 -0.01880
296 14F-2 0.03756 0.03912 0.08619 0.03205 0.03257
297 14F+3 0.06595 0.11424 0.06898 -0.11948 0.00000
298 14F-3 0.05082 -0.02934 0.08210 0.04740 -0.07796
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302 4S 0.00000 -3.87699 0.00000 -6.14866 -1.14947
303 5S 0.00000 -0.18957 0.00000 -0.16466 -0.03801
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312 8PZ 0.00000 -0.15852 0.00000 0.16863 0.80619
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315 9PZ 0.00000 -0.74809 0.00000 -0.87429 0.31270
316 10D 0 0.00000 -0.14776 0.00000 0.09990 0.05877
317 10D+1 -0.03272 0.00000 0.00908 0.00000 0.00000
318 10D-1 0.00000 0.08161 0.00000 -0.08252 -0.21226
319 10D+2 0.00000 0.09474 0.00000 0.17456 -0.09887
320 10D-2 0.17951 0.00000 -0.34607 0.00000 0.00000
321 11D 0 0.00000 0.37630 0.00000 -0.21457 0.05590
322 11D+1 -0.59487 0.00000 0.61881 0.00000 0.00000
323 11D-1 0.00000 -0.22763 0.00000 0.11757 0.47947
324 11D+2 0.00000 -0.39097 0.00000 -0.56853 0.03959
325 11D-2 -0.56415 0.00000 0.86998 0.00000 0.00000
326 12D 0 0.00000 -0.11924 0.00000 -0.29934 0.05296
327 12D+1 -0.08017 0.00000 -0.29662 0.00000 0.00000
328 12D-1 0.00000 -0.10083 0.00000 0.46595 0.32732
329 12D+2 0.00000 -0.05776 0.00000 -0.28157 0.12188
330 12D-2 -0.41626 0.00000 0.68539 0.00000 0.00000
331 13F 0 0.00000 0.14642 0.00000 -0.11777 -0.10340
332 13F+1 -0.30471 0.00000 0.22824 0.00000 0.00000
333 13F-1 0.00000 0.12887 0.00000 -0.00535 0.29449
334 13F+2 0.00000 0.07743 0.00000 -0.23437 -0.21053
335 13F-2 -0.35349 0.00000 0.46169 0.00000 0.00000
336 13F+3 0.05728 0.00000 -0.11630 0.00000 0.00000
337 13F-3 0.00000 -0.33979 0.00000 -0.27112 -0.06875
338 14F 0 0.00000 0.10539 0.00000 -0.03807 -0.07455
339 14F+1 0.05363 0.00000 -0.20665 0.00000 0.00000
340 14F-1 0.00000 -0.00662 0.00000 0.03921 0.01714
341 14F+2 0.00000 -0.01497 0.00000 -0.10470 -0.03761
342 14F-2 -0.10532 0.00000 0.03068 0.00000 0.00000
343 14F+3 0.13191 0.00000 -0.13796 0.00000 0.00000
344 14F-3 0.00000 -0.05868 0.00000 -0.09480 0.07796
345 7 H 1S 0.11866 -0.06851 0.00915 0.00528 -0.05775
346 2S -0.62521 0.36097 0.16713 0.09649 0.33676
347 3S -0.04226 0.02440 3.12174 1.80234 -1.63750
348 4S -3.35757 1.93849 5.32490 3.07433 -1.14947
349 5S -0.16417 0.09478 0.14260 0.08233 -0.03801
350 6PX -0.01066 0.06824 -0.12567 -0.05300 -0.02256
351 6PY 0.06824 0.06813 0.05300 0.06447 0.01303
352 6PZ 0.12085 -0.06977 -0.32836 -0.18958 0.40851
353 7PX -0.25936 -0.12203 0.24933 -0.06398 0.04549
354 7PY -0.12203 -0.40026 0.06398 -0.32321 -0.02626
355 7PZ -0.19155 0.11059 0.66708 0.38514 -0.80434
356 8PX -0.24346 -0.62154 0.21250 -1.28299 0.04580
357 8PY -0.62154 -0.96115 1.28299 -1.69397 -0.02644
358 8PZ -0.13728 0.07926 -0.14604 -0.08431 0.80619
359 9PX -0.55378 -0.10098 0.58174 -0.18362 -0.21504
360 9PY -0.10098 -0.67038 0.18362 -0.79376 0.12415
361 9PZ -0.64787 0.37405 0.75715 0.43714 0.31270
362 10D 0 -0.12797 0.07388 -0.08652 -0.04995 0.05877
363 10D+1 0.05303 -0.04951 0.06416 0.03180 -0.18382
364 10D-1 -0.04951 -0.00414 -0.03180 -0.02744 0.10613
365 10D+2 0.03671 0.15832 -0.07427 0.30320 0.04943
366 10D-2 0.11593 0.03671 -0.21744 0.07427 -0.08562
367 11D 0 0.32588 -0.18815 0.18582 0.10728 0.05590
368 11D+1 -0.31944 -0.15902 0.06653 -0.31886 0.41523
369 11D-1 -0.15902 -0.50306 0.31886 -0.43472 -0.23973
370 11D+2 -0.07499 -0.52086 0.13053 -0.79462 -0.01980
371 11D-2 -0.43427 -0.07499 0.64389 -0.13053 0.03429
372 12D 0 -0.10326 0.05962 0.25924 0.14967 0.05296
373 12D+1 -0.09567 0.00895 -0.42362 -0.07332 0.28347
374 12D-1 0.00895 -0.08533 0.07332 0.33895 -0.16366
375 12D+2 -0.15524 -0.32664 0.17486 -0.58444 -0.06094
376 12D-2 -0.14738 -0.15524 0.38253 -0.17486 0.10555
377 13F 0 0.12680 -0.07321 0.10199 0.05888 -0.10340
378 13F+1 0.02048 -0.18775 0.06107 -0.09652 0.25503
379 13F-1 -0.18775 -0.19631 0.09652 -0.17252 -0.14724
380 13F+2 -0.18660 -0.24576 0.09843 -0.40486 0.10526
381 13F-2 -0.03030 -0.18660 0.29120 -0.09843 -0.18232
382 13F+3 -0.02864 -0.04961 0.05815 -0.10072 0.00000
383 13F-3 -0.29427 0.16990 0.23479 0.13556 -0.06875
384 14F 0 0.09127 -0.05269 0.03297 0.01903 -0.07455
385 14F+1 0.00844 0.02609 -0.08107 0.07251 0.01484
386 14F-1 0.02609 0.03857 -0.07251 0.16479 -0.00857
387 14F+2 -0.03912 -0.08273 -0.03205 -0.04918 0.01880
388 14F-2 -0.03756 -0.03912 0.08619 0.03205 -0.03257
389 14F+3 -0.06595 -0.11424 0.06898 -0.11948 0.00000
390 14F-3 -0.05082 0.02934 0.08210 0.04740 0.07796
391 8 H 1S -0.11866 -0.06851 -0.00915 0.00528 -0.05775
392 2S 0.62521 0.36097 -0.16713 0.09649 0.33676
393 3S 0.04226 0.02440 -3.12174 1.80234 -1.63750
394 4S 3.35757 1.93849 -5.32490 3.07433 -1.14947
395 5S 0.16417 0.09478 -0.14260 0.08233 -0.03801
396 6PX -0.01066 -0.06824 -0.12567 0.05300 0.02256
397 6PY -0.06824 0.06813 -0.05300 0.06447 0.01303
398 6PZ -0.12085 -0.06977 0.32836 -0.18958 0.40851
399 7PX -0.25936 0.12203 0.24933 0.06398 -0.04549
400 7PY 0.12203 -0.40026 -0.06398 -0.32321 -0.02626
401 7PZ 0.19155 0.11059 -0.66708 0.38514 -0.80434
402 8PX -0.24346 0.62154 0.21250 1.28299 -0.04580
403 8PY 0.62154 -0.96115 -1.28299 -1.69397 -0.02644
404 8PZ 0.13728 0.07926 0.14604 -0.08431 0.80619
405 9PX -0.55378 0.10098 0.58174 0.18362 0.21504
406 9PY 0.10098 -0.67038 -0.18362 -0.79376 0.12415
407 9PZ 0.64787 0.37405 -0.75715 0.43714 0.31270
408 10D 0 0.12797 0.07388 0.08652 -0.04995 0.05877
409 10D+1 0.05303 0.04951 0.06416 -0.03180 0.18382
410 10D-1 0.04951 -0.00414 0.03180 -0.02744 0.10613
411 10D+2 -0.03671 0.15832 0.07427 0.30320 0.04943
412 10D-2 0.11593 -0.03671 -0.21744 -0.07427 0.08562
413 11D 0 -0.32588 -0.18815 -0.18582 0.10728 0.05590
414 11D+1 -0.31944 0.15902 0.06653 0.31886 -0.41523
415 11D-1 0.15902 -0.50306 -0.31886 -0.43472 -0.23973
416 11D+2 0.07499 -0.52086 -0.13053 -0.79462 -0.01980
417 11D-2 -0.43427 0.07499 0.64389 0.13053 -0.03429
418 12D 0 0.10326 0.05962 -0.25924 0.14967 0.05296
419 12D+1 -0.09567 -0.00895 -0.42362 0.07332 -0.28347
420 12D-1 -0.00895 -0.08533 -0.07332 0.33895 -0.16366
421 12D+2 0.15524 -0.32664 -0.17486 -0.58444 -0.06094
422 12D-2 -0.14738 0.15524 0.38253 0.17486 -0.10555
423 13F 0 -0.12680 -0.07321 -0.10199 0.05888 -0.10340
424 13F+1 0.02048 0.18775 0.06107 0.09652 -0.25503
425 13F-1 0.18775 -0.19631 -0.09652 -0.17252 -0.14724
426 13F+2 0.18660 -0.24576 -0.09843 -0.40486 0.10526
427 13F-2 -0.03030 0.18660 0.29120 0.09843 0.18232
428 13F+3 -0.02864 0.04961 0.05815 0.10072 0.00000
429 13F-3 0.29427 0.16990 -0.23479 0.13556 -0.06875
430 14F 0 -0.09127 -0.05269 -0.03297 0.01903 -0.07455
431 14F+1 0.00844 -0.02609 -0.08107 -0.07251 -0.01484
432 14F-1 -0.02609 0.03857 0.07251 0.16479 -0.00857
433 14F+2 0.03912 -0.08273 0.03205 -0.04918 0.01880
434 14F-2 -0.03756 0.03912 0.08619 -0.03205 0.03257
435 14F+3 -0.06595 0.11424 0.06898 0.11948 0.00000
436 14F-3 0.05082 0.02934 -0.08210 0.04740 0.07796
371 372 373 374 375
(EG)--V (EG)--V (A1U)--V (EG)--V (EG)--V
Eigenvalues -- 8.84682 8.84682 9.11129 9.18847 9.18847
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12 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
13 9PX 2.73901 0.00000 0.00000 -6.73762 0.00000
14 9PY 0.00000 -2.73901 0.00000 0.00000 -6.73762
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25 12D+2 0.00000 0.08228 0.00000 0.00000 0.05781
26 12D-2 -0.08228 0.00000 0.00000 0.05781 0.00000
27 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000
28 13D+1 0.44800 0.00000 0.00000 2.24130 0.00000
29 13D-1 0.00000 -0.44800 0.00000 0.00000 2.24130
30 13D+2 0.00000 0.10435 0.00000 0.00000 -0.52797
31 13D-2 -0.10435 0.00000 0.00000 -0.52797 0.00000
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33 14D+1 6.55893 0.00000 0.00000 7.01883 0.00000
34 14D-1 0.00000 -6.55893 0.00000 0.00000 7.01883
35 14D+2 0.00000 -0.35909 0.00000 0.00000 -0.51260
36 14D-2 0.35909 0.00000 0.00000 -0.51260 0.00000
37 15D 0 0.00000 0.00000 0.00000 0.00000 0.00000
38 15D+1 0.90691 0.00000 0.00000 0.10991 0.00000
39 15D-1 0.00000 -0.90691 0.00000 0.00000 0.10991
40 15D+2 0.00000 -0.80109 0.00000 0.00000 0.01451
41 15D-2 0.80109 0.00000 0.00000 0.01451 0.00000
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43 16F+1 -0.02006 0.00000 0.00000 0.63315 0.00000
44 16F-1 0.00000 0.02006 0.00000 0.00000 0.63315
45 16F+2 0.00000 0.00647 0.00000 0.00000 -0.36254
46 16F-2 -0.00647 0.00000 0.00000 -0.36254 0.00000
47 16F+3 0.00000 0.00000 0.85315 0.00000 0.00000
48 16F-3 0.00000 0.00000 0.00000 0.00000 0.00000
49 17F 0 0.00000 0.00000 0.00000 0.00000 0.00000
50 17F+1 -0.68876 0.00000 0.00000 -2.93242 0.00000
51 17F-1 0.00000 0.68876 0.00000 0.00000 -2.93242
52 17F+2 0.00000 0.00802 0.00000 0.00000 0.84291
53 17F-2 -0.00802 0.00000 0.00000 0.84291 0.00000
54 17F+3 0.00000 0.00000 -0.81362 0.00000 0.00000
55 17F-3 0.00000 0.00000 0.00000 0.00000 0.00000
56 18F 0 0.00000 0.00000 0.00000 0.00000 0.00000
57 18F+1 -0.29452 0.00000 0.00000 -0.11459 0.00000
58 18F-1 0.00000 0.29452 0.00000 0.00000 -0.11459
59 18F+2 0.00000 0.81435 0.00000 0.00000 -1.42443
60 18F-2 -0.81435 0.00000 0.00000 -1.42443 0.00000
61 18F+3 0.00000 0.00000 0.41303 0.00000 0.00000
62 18F-3 0.00000 0.00000 0.00000 0.00000 0.00000
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64 19G+1 -0.40801 0.00000 0.00000 0.08422 0.00000
65 19G-1 0.00000 0.40801 0.00000 0.00000 0.08422
66 19G+2 0.00000 0.05195 0.00000 0.00000 -0.07493
67 19G-2 -0.05195 0.00000 0.00000 -0.07493 0.00000
68 19G+3 0.00000 0.00000 0.23899 0.00000 0.00000
69 19G-3 0.00000 0.00000 0.00000 0.00000 0.00000
70 19G+4 0.00000 -0.22650 0.00000 0.00000 -0.23839
71 19G-4 -0.22650 0.00000 0.00000 0.23839 0.00000
72 20G 0 0.00000 0.00000 0.00000 0.00000 0.00000
73 20G+1 0.37088 0.00000 0.00000 1.49063 0.00000
74 20G-1 0.00000 -0.37088 0.00000 0.00000 1.49063
75 20G+2 0.00000 0.24383 0.00000 0.00000 0.81174
76 20G-2 -0.24383 0.00000 0.00000 0.81174 0.00000
77 20G+3 0.00000 0.00000 -0.74754 0.00000 0.00000
78 20G-3 0.00000 0.00000 0.00000 0.00000 0.00000
79 20G+4 0.00000 0.14813 0.00000 0.00000 0.28593
80 20G-4 0.14813 0.00000 0.00000 -0.28593 0.00000
81 2 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000
82 2S 0.00000 0.00000 0.00000 0.00000 0.00000
83 3S 0.00000 0.00000 0.00000 0.00000 0.00000
84 4S 0.00000 0.00000 0.00000 0.00000 0.00000
85 5S 0.00000 0.00000 0.00000 0.00000 0.00000
86 6S 0.00000 0.00000 0.00000 0.00000 0.00000
87 7PX 0.60127 0.00000 0.00000 0.12895 0.00000
88 7PY 0.00000 -0.60127 0.00000 0.00000 0.12895
89 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
90 8PX -2.54544 0.00000 0.00000 -1.28127 0.00000
91 8PY 0.00000 2.54544 0.00000 0.00000 -1.28127
92 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
93 9PX -2.73901 0.00000 0.00000 6.73762 0.00000
94 9PY 0.00000 2.73901 0.00000 0.00000 6.73762
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105 12D+2 0.00000 0.08228 0.00000 0.00000 0.05781
106 12D-2 -0.08228 0.00000 0.00000 0.05781 0.00000
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110 13D+2 0.00000 0.10435 0.00000 0.00000 -0.52797
111 13D-2 -0.10435 0.00000 0.00000 -0.52797 0.00000
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115 14D+2 0.00000 -0.35909 0.00000 0.00000 -0.51260
116 14D-2 0.35909 0.00000 0.00000 -0.51260 0.00000
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120 15D+2 0.00000 -0.80109 0.00000 0.00000 0.01451
121 15D-2 0.80109 0.00000 0.00000 0.01451 0.00000
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124 16F-1 0.00000 -0.02006 0.00000 0.00000 -0.63315
125 16F+2 0.00000 -0.00647 0.00000 0.00000 0.36254
126 16F-2 0.00647 0.00000 0.00000 0.36254 0.00000
127 16F+3 0.00000 0.00000 0.85315 0.00000 0.00000
128 16F-3 0.00000 0.00000 0.00000 0.00000 0.00000
129 17F 0 0.00000 0.00000 0.00000 0.00000 0.00000
130 17F+1 0.68876 0.00000 0.00000 2.93242 0.00000
131 17F-1 0.00000 -0.68876 0.00000 0.00000 2.93242
132 17F+2 0.00000 -0.00802 0.00000 0.00000 -0.84291
133 17F-2 0.00802 0.00000 0.00000 -0.84291 0.00000
134 17F+3 0.00000 0.00000 -0.81362 0.00000 0.00000
135 17F-3 0.00000 0.00000 0.00000 0.00000 0.00000
136 18F 0 0.00000 0.00000 0.00000 0.00000 0.00000
137 18F+1 0.29452 0.00000 0.00000 0.11459 0.00000
138 18F-1 0.00000 -0.29452 0.00000 0.00000 0.11459
139 18F+2 0.00000 -0.81435 0.00000 0.00000 1.42443
140 18F-2 0.81435 0.00000 0.00000 1.42443 0.00000
141 18F+3 0.00000 0.00000 0.41303 0.00000 0.00000
142 18F-3 0.00000 0.00000 0.00000 0.00000 0.00000
143 19G 0 0.00000 0.00000 0.00000 0.00000 0.00000
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145 19G-1 0.00000 0.40801 0.00000 0.00000 0.08422
146 19G+2 0.00000 0.05195 0.00000 0.00000 -0.07493
147 19G-2 -0.05195 0.00000 0.00000 -0.07493 0.00000
148 19G+3 0.00000 0.00000 -0.23899 0.00000 0.00000
149 19G-3 0.00000 0.00000 0.00000 0.00000 0.00000
150 19G+4 0.00000 -0.22650 0.00000 0.00000 -0.23839
151 19G-4 -0.22650 0.00000 0.00000 0.23839 0.00000
152 20G 0 0.00000 0.00000 0.00000 0.00000 0.00000
153 20G+1 0.37088 0.00000 0.00000 1.49063 0.00000
154 20G-1 0.00000 -0.37088 0.00000 0.00000 1.49063
155 20G+2 0.00000 0.24383 0.00000 0.00000 0.81174
156 20G-2 -0.24383 0.00000 0.00000 0.81174 0.00000
157 20G+3 0.00000 0.00000 0.74754 0.00000 0.00000
158 20G-3 0.00000 0.00000 0.00000 0.00000 0.00000
159 20G+4 0.00000 0.14813 0.00000 0.00000 0.28593
160 20G-4 0.14813 0.00000 0.00000 -0.28593 0.00000
161 3 H 1S 0.00000 -0.05489 0.00000 0.00000 0.01455
162 2S 0.00000 -0.20911 0.00000 0.00000 0.63736
163 3S 0.00000 7.75005 0.00000 0.00000 -2.95970
164 4S 0.00000 0.30438 0.00000 0.00000 2.16943
165 5S 0.00000 0.19797 0.00000 0.00000 0.17843
166 6PX -0.17941 0.00000 0.33587 -0.00518 0.00000
167 6PY 0.00000 -0.30817 0.00000 0.00000 0.11114
168 6PZ 0.00000 -0.10679 0.00000 0.00000 -0.46720
169 7PX 0.14488 0.00000 -0.84196 -0.01924 0.00000
170 7PY 0.00000 -0.11196 0.00000 0.00000 -0.25990
171 7PZ 0.00000 -0.07152 0.00000 0.00000 1.40836
172 8PX -1.55455 0.00000 0.99788 0.35888 0.00000
173 8PY 0.00000 -4.51938 0.00000 0.00000 1.68692
174 8PZ 0.00000 0.08597 0.00000 0.00000 -2.20401
175 9PX -0.83114 0.00000 0.18560 0.29749 0.00000
176 9PY 0.00000 -0.73062 0.00000 0.00000 -0.21735
177 9PZ 0.00000 0.24873 0.00000 0.00000 -0.29770
178 10D 0 0.00000 0.10405 0.00000 0.00000 0.05623
179 10D+1 -0.02792 0.00000 0.16262 0.10549 0.00000
180 10D-1 0.00000 -0.20241 0.00000 0.00000 -0.24102
181 10D+2 0.00000 0.30367 0.00000 0.00000 -0.35355
182 10D-2 -0.20248 0.00000 0.21737 0.06778 0.00000
183 11D 0 0.00000 -0.45853 0.00000 0.00000 0.17230
184 11D+1 0.32741 0.00000 -0.30661 -0.38360 0.00000
185 11D-1 0.00000 0.81195 0.00000 0.00000 0.15951
186 11D+2 0.00000 -0.89780 0.00000 0.00000 0.76529
187 11D-2 0.57934 0.00000 -0.47342 -0.11614 0.00000
188 12D 0 0.00000 -0.18554 0.00000 0.00000 -0.01777
189 12D+1 0.27838 0.00000 -0.14086 0.12525 0.00000
190 12D-1 0.00000 0.45475 0.00000 0.00000 0.01998
191 12D+2 0.00000 -0.58085 0.00000 0.00000 0.35137
192 12D-2 0.46165 0.00000 -0.20003 -0.03669 0.00000
193 13F 0 0.00000 0.26964 0.00000 0.00000 -0.02950
194 13F+1 0.04207 0.00000 -0.02726 0.05034 0.00000
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196 13F+2 0.00000 0.28365 0.00000 0.00000 0.20973
197 13F-2 -0.36654 0.00000 0.22789 0.17308 0.00000
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335 13F-2 0.36654 0.00000 0.22789 -0.17308 0.00000
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381 13F-2 0.30438 -0.03589 -0.11395 -0.20057 0.01587
382 13F+3 0.07093 -0.12285 -0.39365 -0.01408 -0.02439
383 13F-3 0.08877 0.05125 0.00000 0.10897 -0.06292
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427 13F-2 0.30438 0.03589 -0.11395 -0.20057 -0.01587
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434 14F-2 0.11405 -0.06885 0.00360 0.01938 0.11953
435 14F+3 0.03850 0.06668 -0.11501 0.02702 -0.04680
436 14F-3 -0.09302 0.05370 0.00000 -0.16954 -0.09788
376 377 378 379 380
(A2G)--V (EU)--V (EU)--V (A1U)--V (A2U)--V
Eigenvalues -- 9.22997 9.26616 9.26616 9.29085 9.30677
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53 17F-2 0.00000 -0.34817 0.00000 0.00000 0.00000
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55 17F-3 0.00000 0.00000 0.00000 0.00000 0.81556
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60 18F-2 0.00000 -0.37596 0.00000 0.00000 0.00000
61 18F+3 -0.14626 0.00000 0.00000 1.22136 0.00000
62 18F-3 0.00000 0.00000 0.00000 0.00000 0.57636
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298 14F-3 0.09948 -0.10907 -0.06297 0.00857 0.00495
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301 3S -3.84453 0.00000 13.01075 0.00000 -2.63060
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329 12D+2 -0.25153 0.00000 -0.15282 0.00000 0.02228
330 12D-2 0.00000 -0.55142 0.00000 0.18622 0.00000
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344 14F-3 -0.09948 0.00000 -0.12595 0.00000 -0.00989
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380 13F+2 -0.00009 -0.07200 0.09071 0.09204 0.07050
381 13F-2 0.00016 -0.00757 0.07200 -0.17678 -0.09204
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383 13F-3 -0.18289 -0.05415 -0.03127 0.25141 0.14515
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388 14F-2 -0.14919 -0.05664 0.03247 -0.00926 0.02950
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421 12D+2 0.12577 0.30495 0.37536 -0.09029 -0.13410
422 12D-2 0.21783 -0.02324 -0.30495 0.02984 0.09029
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426 13F+2 -0.00009 0.07200 0.09071 -0.09204 0.07050
427 13F-2 -0.00016 -0.00757 -0.07200 -0.17678 0.09204
428 13F+3 0.00000 -0.04594 -0.07957 -0.13017 -0.22547
429 13F-3 -0.18289 0.05415 -0.03127 -0.25141 0.14515
430 14F 0 -0.18504 0.07789 -0.04497 -0.01695 0.00979
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432 14F-1 0.03192 0.06923 0.16613 -0.01516 0.00672
433 14F+2 0.08614 0.03247 0.09413 0.02950 0.04333
434 14F-2 0.14919 -0.05664 -0.03247 -0.00926 -0.02950
435 14F+3 0.00000 0.03790 0.06564 0.02189 0.03792
436 14F-3 -0.09948 -0.10907 0.06297 -0.00857 0.00495
386 387 388 389 390
(A1G)--V (EG)--V (EG)--V (EU)--V (EU)--V
Eigenvalues -- 9.43152 9.54339 9.54339 9.57355 9.57355
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60 18F-2 0.00000 0.00000 0.40252 -0.41686 0.00000
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78 20G-3 0.90130 0.00000 0.00000 0.00000 0.00000
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80 20G-4 0.00000 0.00000 0.36766 -1.01182 0.00000
81 2 C 1S 0.01685 0.00000 0.00000 0.00000 0.00000
82 2S -0.07138 0.00000 0.00000 0.00000 0.00000
83 3S -1.34953 0.00000 0.00000 0.00000 0.00000
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121 15D-2 0.00000 0.00000 0.36569 0.71054 0.00000
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126 16F-2 0.00000 0.00000 0.13221 0.15135 0.00000
127 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000
128 16F-3 -0.13345 0.00000 0.00000 0.00000 0.00000
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132 17F+2 0.00000 -1.07894 0.00000 0.00000 1.28666
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435 14F+3 0.00000 -0.15241 0.08799 0.12401 0.21479
436 14F-3 -0.17086 0.06671 0.11554 0.12913 -0.07456
391 392 393 394 395
(A2U)--V (A2G)--V (A1G)--V (EU)--V (EU)--V
Eigenvalues -- 9.57500 9.65661 9.66874 9.76949 9.76949
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312 8PZ 0.83472 0.00000 -1.33456 0.00000 0.04406
313 9PX 0.00000 0.30913 0.00000 -0.69848 0.00000
314 9PY 0.45253 0.00000 -0.15362 0.00000 0.89545
315 9PZ 0.16921 0.00000 0.14078 0.00000 -1.36939
316 10D 0 0.08823 0.00000 0.19724 0.00000 0.55487
317 10D+1 0.00000 -0.52687 0.00000 -0.45677 0.00000
318 10D-1 0.08943 0.00000 0.35413 0.00000 -0.25465
319 10D+2 -0.08160 0.00000 -0.19798 0.00000 -0.18532
320 10D-2 0.00000 -0.11803 0.00000 0.16870 0.00000
321 11D 0 -0.12470 0.00000 -0.43506 0.00000 -1.23384
322 11D+1 0.00000 1.28924 0.00000 1.14831 0.00000
323 11D-1 -0.06210 0.00000 -0.39657 0.00000 0.64597
324 11D+2 0.00721 0.00000 0.32426 0.00000 0.47844
325 11D-2 0.00000 0.53538 0.00000 -0.19410 0.00000
326 12D 0 0.02115 0.00000 -0.30941 0.00000 -0.59801
327 12D+1 0.00000 0.52077 0.00000 0.50476 0.00000
328 12D-1 -0.04016 0.00000 -0.29185 0.00000 0.25904
329 12D+2 0.03355 0.00000 0.49987 0.00000 0.10199
330 12D-2 0.00000 0.17828 0.00000 -0.20344 0.00000
331 13F 0 0.04222 0.00000 -0.05063 0.00000 -0.15204
332 13F+1 0.00000 0.17458 0.00000 0.07164 0.00000
333 13F-1 0.02628 0.00000 -0.03342 0.00000 -0.10032
334 13F+2 -0.01197 0.00000 -0.06915 0.00000 0.02207
335 13F-2 0.00000 0.25964 0.00000 0.14244 0.00000
336 13F+3 0.00000 -0.25935 0.00000 0.09398 0.00000
337 13F-3 0.01436 0.00000 0.04886 0.00000 0.16052
338 14F 0 -0.01625 0.00000 0.06764 0.00000 -0.30542
339 14F+1 0.00000 0.21671 0.00000 0.25100 0.00000
340 14F-1 -0.03895 0.00000 -0.14638 0.00000 -0.21910
341 14F+2 0.05166 0.00000 0.07836 0.00000 -0.06177
342 14F-2 0.00000 0.38230 0.00000 0.33356 0.00000
343 14F+3 0.00000 -0.09858 0.00000 0.05852 0.00000
344 14F-3 0.03161 0.00000 0.26209 0.00000 0.26086
345 7 H 1S 0.04672 0.00000 0.36499 -0.23120 0.13349
346 2S -0.65893 0.00000 -2.57318 1.15189 -0.66504
347 3S 3.71382 0.00000 -0.22785 3.09541 -1.78714
348 4S 2.76711 0.00000 1.33648 1.13389 -0.65465
349 5S 0.44382 0.00000 0.05812 -0.09429 0.05444
350 6PX -0.07796 0.05712 -0.15644 -0.07154 -0.06943
351 6PY 0.04501 0.09893 0.09032 -0.06943 -0.15171
352 6PZ 0.12666 0.00000 -0.02852 -0.19143 0.11052
353 7PX 0.11685 0.00057 -0.25933 0.53694 0.09728
354 7PY -0.06746 0.00099 0.14972 0.09728 0.64927
355 7PZ -0.27422 0.00000 -0.14735 0.71970 -0.41552
356 8PX 0.47556 -0.36081 -0.11464 1.17603 -0.82944
357 8PY -0.27456 -0.62493 0.06619 -0.82944 0.21827
358 8PZ 0.83472 0.00000 -1.33456 0.03816 -0.02203
359 9PX 0.39191 -0.15456 -0.13304 0.49696 -0.69019
360 9PY -0.22627 -0.26771 0.07681 -0.69019 -0.30000
361 9PZ 0.16921 0.00000 0.14078 -1.18593 0.68470
362 10D 0 0.08823 0.00000 0.19724 0.48053 -0.27743
363 10D+1 0.07745 0.26343 0.30669 -0.30518 -0.08752
364 10D-1 -0.04472 0.45628 -0.17707 -0.08752 -0.40624
365 10D+2 0.04080 0.10221 0.09899 0.15329 0.08020
366 10D-2 -0.07067 0.05901 -0.17146 -0.09681 0.15329
367 11D 0 -0.12470 0.00000 -0.43506 -1.06854 0.61692
368 11D+1 -0.05378 -0.64462 -0.34344 0.77156 0.21752
369 11D-1 0.03105 -1.11651 0.19829 0.21752 1.02272
370 11D+2 -0.00361 -0.46365 -0.16213 -0.29122 -0.02596
371 11D-2 0.00624 -0.26769 0.28082 0.31031 -0.29122
372 12D 0 0.02115 0.00000 -0.30941 -0.51789 0.29900
373 12D+1 -0.03478 -0.26038 -0.25275 0.32047 0.10640
374 12D-1 0.02008 -0.45100 0.14592 0.10640 0.44333
375 12D+2 -0.01678 -0.15439 -0.24994 -0.13226 -0.12708
376 12D-2 0.02906 -0.08914 0.43290 0.02563 -0.13226
377 13F 0 0.04222 0.00000 -0.05063 -0.13167 0.07602
378 13F+1 0.02276 -0.08729 -0.02895 -0.05733 0.07446
379 13F-1 -0.01314 -0.15119 0.01671 0.07446 0.02865
380 13F+2 0.00598 -0.22486 0.03458 0.05212 0.11235
381 13F-2 -0.01036 -0.12982 -0.05989 0.05216 0.05212
382 13F+3 0.00000 -0.25935 0.00000 -0.04699 -0.08139
383 13F-3 0.01436 0.00000 0.04886 0.13901 -0.08026
384 14F 0 -0.01625 0.00000 0.06764 -0.26450 0.15271
385 14F+1 -0.03373 -0.10836 -0.12677 -0.10157 0.20356
386 14F-1 0.01948 -0.18768 0.07319 0.20356 0.13348
387 14F+2 -0.02583 -0.33109 -0.03918 0.17119 0.23473
388 14F-2 0.04474 -0.19115 0.06786 0.03706 0.17119
389 14F+3 0.00000 -0.09858 0.00000 -0.02926 -0.05068
390 14F-3 0.03161 0.00000 0.26209 0.22591 -0.13043
391 8 H 1S 0.04672 0.00000 0.36499 0.23120 0.13349
392 2S -0.65893 0.00000 -2.57318 -1.15189 -0.66504
393 3S 3.71382 0.00000 -0.22785 -3.09541 -1.78714
394 4S 2.76711 0.00000 1.33648 -1.13389 -0.65465
395 5S 0.44382 0.00000 0.05812 0.09429 0.05444
396 6PX 0.07796 0.05712 0.15644 -0.07154 0.06943
397 6PY 0.04501 -0.09893 0.09032 0.06943 -0.15171
398 6PZ 0.12666 0.00000 -0.02852 0.19143 0.11052
399 7PX -0.11685 0.00057 0.25933 0.53694 -0.09728
400 7PY -0.06746 -0.00099 0.14972 -0.09728 0.64927
401 7PZ -0.27422 0.00000 -0.14735 -0.71970 -0.41552
402 8PX -0.47556 -0.36081 0.11464 1.17603 0.82944
403 8PY -0.27456 0.62493 0.06619 0.82944 0.21827
404 8PZ 0.83472 0.00000 -1.33456 -0.03816 -0.02203
405 9PX -0.39191 -0.15456 0.13304 0.49696 0.69019
406 9PY -0.22627 0.26771 0.07681 0.69019 -0.30000
407 9PZ 0.16921 0.00000 0.14078 1.18593 0.68470
408 10D 0 0.08823 0.00000 0.19724 -0.48053 -0.27743
409 10D+1 -0.07745 0.26343 -0.30669 -0.30518 0.08752
410 10D-1 -0.04472 -0.45628 -0.17707 0.08752 -0.40624
411 10D+2 0.04080 -0.10221 0.09899 -0.15329 0.08020
412 10D-2 0.07067 0.05901 0.17146 -0.09681 -0.15329
413 11D 0 -0.12470 0.00000 -0.43506 1.06854 0.61692
414 11D+1 0.05378 -0.64462 0.34344 0.77156 -0.21752
415 11D-1 0.03105 1.11651 0.19829 -0.21752 1.02272
416 11D+2 -0.00361 0.46365 -0.16213 0.29122 -0.02596
417 11D-2 -0.00624 -0.26769 -0.28082 0.31031 0.29122
418 12D 0 0.02115 0.00000 -0.30941 0.51789 0.29900
419 12D+1 0.03478 -0.26038 0.25275 0.32047 -0.10640
420 12D-1 0.02008 0.45100 0.14592 -0.10640 0.44333
421 12D+2 -0.01678 0.15439 -0.24994 0.13226 -0.12708
422 12D-2 -0.02906 -0.08914 -0.43290 0.02563 0.13226
423 13F 0 0.04222 0.00000 -0.05063 0.13167 0.07602
424 13F+1 -0.02276 -0.08729 0.02895 -0.05733 -0.07446
425 13F-1 -0.01314 0.15119 0.01671 -0.07446 0.02865
426 13F+2 0.00598 0.22486 0.03458 -0.05212 0.11235
427 13F-2 0.01036 -0.12982 0.05989 0.05216 -0.05212
428 13F+3 0.00000 -0.25935 0.00000 -0.04699 0.08139
429 13F-3 0.01436 0.00000 0.04886 -0.13901 -0.08026
430 14F 0 -0.01625 0.00000 0.06764 0.26450 0.15271
431 14F+1 0.03373 -0.10836 0.12677 -0.10157 -0.20356
432 14F-1 0.01948 0.18768 0.07319 -0.20356 0.13348
433 14F+2 -0.02583 0.33109 -0.03918 -0.17119 0.23473
434 14F-2 -0.04474 -0.19115 -0.06786 0.03706 -0.17119
435 14F+3 0.00000 -0.09858 0.00000 -0.02926 0.05068
436 14F-3 0.03161 0.00000 0.26209 -0.22591 -0.13043
396 397 398 399 400
(EG)--V (EG)--V (A2U)--V (A1G)--V (EG)--V
Eigenvalues -- 9.83279 9.83279 9.89047 9.89845 9.94837
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2 2S 0.00000 0.00000 -0.12876 -0.12825 0.00000
3 3S 0.00000 0.00000 -3.89813 -1.93059 0.00000
4 4S 0.00000 0.00000 14.60021 4.62003 0.00000
5 5S 0.00000 0.00000 4.49296 -1.60644 0.00000
6 6S 0.00000 0.00000 -3.42904 -0.13258 0.00000
7 7PX 0.04748 0.00000 0.00000 0.00000 0.09028
8 7PY 0.00000 0.04748 0.00000 0.00000 0.00000
9 7PZ 0.00000 0.00000 -0.03393 0.43059 0.00000
10 8PX -0.78723 0.00000 0.00000 0.00000 -0.81323
11 8PY 0.00000 -0.78723 0.00000 0.00000 0.00000
12 8PZ 0.00000 0.00000 -1.08214 -2.49097 0.00000
13 9PX 5.09438 0.00000 0.00000 0.00000 8.27564
14 9PY 0.00000 5.09438 0.00000 0.00000 0.00000
15 9PZ 0.00000 0.00000 4.28581 8.15076 0.00000
16 10PX 1.83798 0.00000 0.00000 0.00000 2.31232
17 10PY 0.00000 1.83798 0.00000 0.00000 0.00000
18 10PZ 0.00000 0.00000 -2.28459 1.89840 0.00000
19 11PX 0.22030 0.00000 0.00000 0.00000 0.26162
20 11PY 0.00000 0.22030 0.00000 0.00000 0.00000
21 11PZ 0.00000 0.00000 0.39232 0.21864 0.00000
22 12D 0 0.00000 0.00000 0.27739 0.26829 0.00000
23 12D+1 0.33169 0.00000 0.00000 0.00000 -0.38363
24 12D-1 0.00000 0.33169 0.00000 0.00000 0.00000
25 12D+2 0.00000 -0.10674 0.00000 0.00000 0.00000
26 12D-2 -0.10674 0.00000 0.00000 0.00000 0.45885
27 13D 0 0.00000 0.00000 -0.01414 0.93760 0.00000
28 13D+1 -0.81250 0.00000 0.00000 0.00000 1.16756
29 13D-1 0.00000 -0.81250 0.00000 0.00000 0.00000
30 13D+2 0.00000 0.55878 0.00000 0.00000 0.00000
31 13D-2 0.55878 0.00000 0.00000 0.00000 -1.21930
32 14D 0 0.00000 0.00000 -5.27267 1.49123 0.00000
33 14D+1 -3.02094 0.00000 0.00000 0.00000 6.28113
34 14D-1 0.00000 -3.02094 0.00000 0.00000 0.00000
35 14D+2 0.00000 -0.41852 0.00000 0.00000 0.00000
36 14D-2 -0.41852 0.00000 0.00000 0.00000 -2.67850
37 15D 0 0.00000 0.00000 -0.30869 0.40846 0.00000
38 15D+1 -1.05872 0.00000 0.00000 0.00000 -0.00031
39 15D-1 0.00000 -1.05872 0.00000 0.00000 0.00000
40 15D+2 0.00000 -0.82440 0.00000 0.00000 0.00000
41 15D-2 -0.82440 0.00000 0.00000 0.00000 -0.11201
42 16F 0 0.00000 0.00000 0.34949 -0.00825 0.00000
43 16F+1 -0.26844 0.00000 0.00000 0.00000 -0.16111
44 16F-1 0.00000 -0.26844 0.00000 0.00000 0.00000
45 16F+2 0.00000 0.18323 0.00000 0.00000 0.00000
46 16F-2 0.18323 0.00000 0.00000 0.00000 0.15448
47 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000
48 16F-3 0.00000 0.00000 0.45624 0.15174 0.00000
49 17F 0 0.00000 0.00000 -2.86077 -0.13259 0.00000
50 17F+1 2.92812 0.00000 0.00000 0.00000 1.62834
51 17F-1 0.00000 2.92812 0.00000 0.00000 0.00000
52 17F+2 0.00000 -1.15328 0.00000 0.00000 0.00000
53 17F-2 -1.15328 0.00000 0.00000 0.00000 -1.81530
54 17F+3 0.00000 0.00000 0.00000 0.00000 0.00000
55 17F-3 0.00000 0.00000 -2.73584 -0.59080 0.00000
56 18F 0 0.00000 0.00000 1.39870 0.02077 0.00000
57 18F+1 1.25764 0.00000 0.00000 0.00000 -0.95831
58 18F-1 0.00000 1.25764 0.00000 0.00000 0.00000
59 18F+2 0.00000 0.37587 0.00000 0.00000 0.00000
60 18F-2 0.37587 0.00000 0.00000 0.00000 -0.91442
61 18F+3 0.00000 0.00000 0.00000 0.00000 0.00000
62 18F-3 0.00000 0.00000 -1.36655 0.54929 0.00000
63 19G 0 0.00000 0.00000 -0.47025 -0.00556 0.00000
64 19G+1 -0.54712 0.00000 0.00000 0.00000 0.24168
65 19G-1 0.00000 -0.54712 0.00000 0.00000 0.00000
66 19G+2 0.00000 0.21674 0.00000 0.00000 0.00000
67 19G-2 0.21674 0.00000 0.00000 0.00000 0.06615
68 19G+3 0.00000 0.00000 0.00000 0.00000 0.00000
69 19G-3 0.00000 0.00000 -0.41146 0.04389 0.00000
70 19G+4 0.00000 -0.08265 0.00000 0.00000 0.00000
71 19G-4 0.08265 0.00000 0.00000 0.00000 0.06422
72 20G 0 0.00000 0.00000 1.32144 -1.10649 0.00000
73 20G+1 0.09554 0.00000 0.00000 0.00000 -0.84143
74 20G-1 0.00000 0.09554 0.00000 0.00000 0.00000
75 20G+2 0.00000 -1.36101 0.00000 0.00000 0.00000
76 20G-2 -1.36101 0.00000 0.00000 0.00000 -0.61657
77 20G+3 0.00000 0.00000 0.00000 0.00000 0.00000
78 20G-3 0.00000 0.00000 -0.98912 -1.10120 0.00000
79 20G+4 0.00000 0.44606 0.00000 0.00000 0.00000
80 20G-4 -0.44606 0.00000 0.00000 0.00000 0.20368
81 2 C 1S 0.00000 0.00000 -0.09432 0.05170 0.00000
82 2S 0.00000 0.00000 0.12876 -0.12825 0.00000
83 3S 0.00000 0.00000 3.89813 -1.93059 0.00000
84 4S 0.00000 0.00000 -14.60021 4.62003 0.00000
85 5S 0.00000 0.00000 -4.49296 -1.60644 0.00000
86 6S 0.00000 0.00000 3.42904 -0.13258 0.00000
87 7PX -0.04748 0.00000 0.00000 0.00000 -0.09028
88 7PY 0.00000 -0.04748 0.00000 0.00000 0.00000
89 7PZ 0.00000 0.00000 -0.03393 -0.43059 0.00000
90 8PX 0.78723 0.00000 0.00000 0.00000 0.81323
91 8PY 0.00000 0.78723 0.00000 0.00000 0.00000
92 8PZ 0.00000 0.00000 -1.08214 2.49097 0.00000
93 9PX -5.09438 0.00000 0.00000 0.00000 -8.27564
94 9PY 0.00000 -5.09438 0.00000 0.00000 0.00000
95 9PZ 0.00000 0.00000 4.28581 -8.15076 0.00000
96 10PX -1.83798 0.00000 0.00000 0.00000 -2.31232
97 10PY 0.00000 -1.83798 0.00000 0.00000 0.00000
98 10PZ 0.00000 0.00000 -2.28459 -1.89840 0.00000
99 11PX -0.22030 0.00000 0.00000 0.00000 -0.26162
100 11PY 0.00000 -0.22030 0.00000 0.00000 0.00000
101 11PZ 0.00000 0.00000 0.39232 -0.21864 0.00000
102 12D 0 0.00000 0.00000 -0.27739 0.26829 0.00000
103 12D+1 0.33169 0.00000 0.00000 0.00000 -0.38363
104 12D-1 0.00000 0.33169 0.00000 0.00000 0.00000
105 12D+2 0.00000 -0.10674 0.00000 0.00000 0.00000
106 12D-2 -0.10674 0.00000 0.00000 0.00000 0.45885
107 13D 0 0.00000 0.00000 0.01414 0.93760 0.00000
108 13D+1 -0.81250 0.00000 0.00000 0.00000 1.16756
109 13D-1 0.00000 -0.81250 0.00000 0.00000 0.00000
110 13D+2 0.00000 0.55878 0.00000 0.00000 0.00000
111 13D-2 0.55878 0.00000 0.00000 0.00000 -1.21930
112 14D 0 0.00000 0.00000 5.27267 1.49123 0.00000
113 14D+1 -3.02094 0.00000 0.00000 0.00000 6.28113
114 14D-1 0.00000 -3.02094 0.00000 0.00000 0.00000
115 14D+2 0.00000 -0.41852 0.00000 0.00000 0.00000
116 14D-2 -0.41852 0.00000 0.00000 0.00000 -2.67850
117 15D 0 0.00000 0.00000 0.30869 0.40846 0.00000
118 15D+1 -1.05872 0.00000 0.00000 0.00000 -0.00031
119 15D-1 0.00000 -1.05872 0.00000 0.00000 0.00000
120 15D+2 0.00000 -0.82440 0.00000 0.00000 0.00000
121 15D-2 -0.82440 0.00000 0.00000 0.00000 -0.11201
122 16F 0 0.00000 0.00000 0.34949 0.00825 0.00000
123 16F+1 0.26844 0.00000 0.00000 0.00000 0.16111
124 16F-1 0.00000 0.26844 0.00000 0.00000 0.00000
125 16F+2 0.00000 -0.18323 0.00000 0.00000 0.00000
126 16F-2 -0.18323 0.00000 0.00000 0.00000 -0.15448
127 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000
128 16F-3 0.00000 0.00000 0.45624 -0.15174 0.00000
129 17F 0 0.00000 0.00000 -2.86077 0.13259 0.00000
130 17F+1 -2.92812 0.00000 0.00000 0.00000 -1.62834
131 17F-1 0.00000 -2.92812 0.00000 0.00000 0.00000
132 17F+2 0.00000 1.15328 0.00000 0.00000 0.00000
133 17F-2 1.15328 0.00000 0.00000 0.00000 1.81530
134 17F+3 0.00000 0.00000 0.00000 0.00000 0.00000
135 17F-3 0.00000 0.00000 -2.73584 0.59080 0.00000
136 18F 0 0.00000 0.00000 1.39870 -0.02077 0.00000
137 18F+1 -1.25764 0.00000 0.00000 0.00000 0.95831
138 18F-1 0.00000 -1.25764 0.00000 0.00000 0.00000
139 18F+2 0.00000 -0.37587 0.00000 0.00000 0.00000
140 18F-2 -0.37587 0.00000 0.00000 0.00000 0.91442
141 18F+3 0.00000 0.00000 0.00000 0.00000 0.00000
142 18F-3 0.00000 0.00000 -1.36655 -0.54929 0.00000
143 19G 0 0.00000 0.00000 0.47025 -0.00556 0.00000
144 19G+1 -0.54712 0.00000 0.00000 0.00000 0.24168
145 19G-1 0.00000 -0.54712 0.00000 0.00000 0.00000
146 19G+2 0.00000 0.21674 0.00000 0.00000 0.00000
147 19G-2 0.21674 0.00000 0.00000 0.00000 0.06615
148 19G+3 0.00000 0.00000 0.00000 0.00000 0.00000
149 19G-3 0.00000 0.00000 0.41146 0.04389 0.00000
150 19G+4 0.00000 -0.08265 0.00000 0.00000 0.00000
151 19G-4 0.08265 0.00000 0.00000 0.00000 0.06422
152 20G 0 0.00000 0.00000 -1.32144 -1.10649 0.00000
153 20G+1 0.09554 0.00000 0.00000 0.00000 -0.84143
154 20G-1 0.00000 0.09554 0.00000 0.00000 0.00000
155 20G+2 0.00000 -1.36101 0.00000 0.00000 0.00000
156 20G-2 -1.36101 0.00000 0.00000 0.00000 -0.61657
157 20G+3 0.00000 0.00000 0.00000 0.00000 0.00000
158 20G-3 0.00000 0.00000 0.98912 -1.10120 0.00000
159 20G+4 0.00000 0.44606 0.00000 0.00000 0.00000
160 20G-4 -0.44606 0.00000 0.00000 0.00000 0.20368
161 3 H 1S 0.00000 -0.00504 0.26423 0.15198 0.00000
162 2S 0.00000 -0.27807 -3.28153 -1.50240 0.00000
163 3S 0.00000 -0.63959 -5.00521 0.11519 0.00000
164 4S 0.00000 -1.35257 0.16998 0.26195 0.00000
165 5S 0.00000 -0.12942 -0.03261 -0.00081 0.00000
166 6PX 0.13653 0.00000 0.00000 0.00000 -0.13073
167 6PY 0.00000 -0.17084 0.25365 0.01912 0.00000
168 6PZ 0.00000 0.40170 0.15733 0.44727 0.00000
169 7PX -0.23370 0.00000 0.00000 0.00000 0.47120
170 7PY 0.00000 0.60588 0.54510 0.24125 0.00000
171 7PZ 0.00000 -1.36883 0.08295 -0.93806 0.00000
172 8PX 0.11599 0.00000 0.00000 0.00000 -0.02837
173 8PY 0.00000 0.81690 0.94981 0.84153 0.00000
174 8PZ 0.00000 -0.61876 2.64535 -2.03250 0.00000
175 9PX 0.76720 0.00000 0.00000 0.00000 -0.02107
176 9PY 0.00000 -0.01341 0.09000 0.23951 0.00000
177 9PZ 0.00000 0.57094 0.64595 -0.57884 0.00000
178 10D 0 0.00000 0.40145 0.08946 -0.17879 0.00000
179 10D+1 -0.31053 0.00000 0.00000 0.00000 -0.07402
180 10D-1 0.00000 -0.39934 0.45581 -0.31923 0.00000
181 10D+2 0.00000 -0.36537 -0.05722 -0.29035 0.00000
182 10D-2 0.09048 0.00000 0.00000 0.00000 -0.07553
183 11D 0 0.00000 -0.42586 -0.02649 0.28608 0.00000
184 11D+1 0.66312 0.00000 0.00000 0.00000 -0.05241
185 11D-1 0.00000 1.00591 -0.36182 1.06651 0.00000
186 11D+2 0.00000 0.68955 0.00339 0.31132 0.00000
187 11D-2 -0.11641 0.00000 0.00000 0.00000 -0.24415
188 12D 0 0.00000 -0.54500 -0.14307 0.26642 0.00000
189 12D+1 0.00526 0.00000 0.00000 0.00000 0.25583
190 12D-1 0.00000 0.52166 -0.32830 0.41888 0.00000
191 12D+2 0.00000 0.38583 0.37002 0.21034 0.00000
192 12D-2 -0.07141 0.00000 0.00000 0.00000 -0.01619
193 13F 0 0.00000 0.03769 0.04525 0.18629 0.00000
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239 13F 0 -0.03264 -0.01884 0.04525 0.18629 -0.08285
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241 13F-1 0.03488 0.00638 0.04392 -0.00689 -0.02404
242 13F+2 -0.00393 -0.05263 -0.06413 -0.09073 0.02653
243 13F-2 -0.05717 -0.00393 -0.11107 -0.15714 0.17330
244 13F+3 -0.03743 0.06482 0.00000 0.00000 0.02353
245 13F-3 -0.01889 -0.01091 0.05638 0.04637 -0.04115
246 14F 0 -0.39014 -0.22525 -0.21241 0.13546 -0.01202
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248 14F-1 0.09837 -0.05172 0.01309 0.03051 -0.17124
249 14F+2 0.17488 -0.08263 -0.02909 -0.03925 0.11323
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251 14F+3 0.03801 -0.06583 0.00000 0.00000 0.06989
252 14F-3 0.22506 0.12994 -0.13312 -0.11329 -0.02488
253 5 H 1S -0.00437 0.00252 0.26423 0.15198 0.30341
254 2S -0.24082 0.13903 -3.28153 -1.50240 -1.63021
255 3S -0.55390 0.31980 -5.00521 0.11519 -10.47795
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284 12D-2 0.27152 -0.19799 0.32045 0.18216 0.12635
285 13F 0 0.03264 -0.01884 0.04525 0.18629 0.08285
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287 13F-1 -0.03488 0.00638 0.04392 -0.00689 0.02404
288 13F+2 0.00393 -0.05263 -0.06413 -0.09073 -0.02653
289 13F-2 -0.05717 0.00393 0.11107 0.15714 0.17330
290 13F+3 -0.03743 -0.06482 0.00000 0.00000 0.02353
291 13F-3 0.01889 -0.01091 0.05638 0.04637 0.04115
292 14F 0 0.39014 -0.22525 -0.21241 0.13546 0.01202
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294 14F-1 -0.09837 -0.05172 0.01309 0.03051 0.17124
295 14F+2 -0.17488 -0.08263 -0.02909 -0.03925 -0.11323
296 14F-2 0.11931 -0.17488 0.05038 0.06798 0.08896
297 14F+3 0.03801 0.06583 0.00000 0.00000 0.06989
298 14F-3 -0.22506 0.12994 -0.13312 -0.11329 0.02488
299 6 H 1S 0.00000 -0.00504 -0.26423 0.15198 0.00000
300 2S 0.00000 -0.27807 3.28153 -1.50240 0.00000
301 3S 0.00000 -0.63959 5.00521 0.11519 0.00000
302 4S 0.00000 -1.35257 -0.16998 0.26195 0.00000
303 5S 0.00000 -0.12942 0.03261 -0.00081 0.00000
304 6PX -0.13653 0.00000 0.00000 0.00000 0.13073
305 6PY 0.00000 0.17084 0.25365 -0.01912 0.00000
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308 7PY 0.00000 -0.60588 0.54510 -0.24125 0.00000
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314 9PY 0.00000 0.01341 0.09000 -0.23951 0.00000
315 9PZ 0.00000 -0.57094 0.64595 0.57884 0.00000
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318 10D-1 0.00000 -0.39934 -0.45581 -0.31923 0.00000
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320 10D-2 0.09048 0.00000 0.00000 0.00000 -0.07553
321 11D 0 0.00000 -0.42586 0.02649 0.28608 0.00000
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323 11D-1 0.00000 1.00591 0.36182 1.06651 0.00000
324 11D+2 0.00000 0.68955 -0.00339 0.31132 0.00000
325 11D-2 -0.11641 0.00000 0.00000 0.00000 -0.24415
326 12D 0 0.00000 -0.54500 0.14307 0.26642 0.00000
327 12D+1 0.00526 0.00000 0.00000 0.00000 0.25583
328 12D-1 0.00000 0.52166 0.32830 0.41888 0.00000
329 12D+2 0.00000 0.38583 -0.37002 0.21034 0.00000
330 12D-2 -0.07141 0.00000 0.00000 0.00000 -0.01619
331 13F 0 0.00000 -0.03769 0.04525 -0.18629 0.00000
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333 13F-1 0.00000 -0.06680 -0.08785 -0.01377 0.00000
334 13F+2 0.00000 0.05943 0.12825 -0.18146 0.00000
335 13F-2 0.05036 0.00000 0.00000 0.00000 -0.12734
336 13F+3 -0.07485 0.00000 0.00000 0.00000 0.04705
337 13F-3 0.00000 -0.02181 0.05638 -0.04637 0.00000
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340 14F-1 0.00000 -0.11866 -0.02617 0.06102 0.00000
341 14F+2 0.00000 -0.22028 0.05818 -0.07850 0.00000
342 14F-2 0.18360 0.00000 0.00000 0.00000 0.10716
343 14F+3 0.07601 0.00000 0.00000 0.00000 0.13978
344 14F-3 0.00000 0.25987 -0.13312 0.11329 0.00000
345 7 H 1S -0.00437 0.00252 -0.26423 0.15198 0.30341
346 2S -0.24082 0.13903 3.28153 -1.50240 -1.63021
347 3S -0.55390 0.31980 5.00521 0.11519 -10.47795
348 4S -1.17136 0.67628 -0.16998 0.26195 -1.39436
349 5S -0.11208 0.06471 0.03261 -0.00081 -0.17382
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354 7PY 0.36355 0.02380 -0.27255 0.12062 0.35290
355 7PZ 1.18544 -0.68442 0.08295 0.93806 0.87318
356 8PX -0.64167 0.30350 0.82256 -0.72878 -3.14965
357 8PY 0.30350 -0.29122 -0.47490 0.42076 1.83483
358 8PZ 0.53586 -0.30938 2.64535 2.03250 0.83786
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360 9PY -0.33802 -0.57205 -0.04500 0.11976 0.18866
361 9PZ -0.49445 0.28547 0.64595 0.57884 0.34720
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366 10D-2 -0.25141 0.19739 0.04955 -0.25145 -0.18444
367 11D 0 -0.36880 0.21293 0.02649 0.28608 1.04189
368 11D+1 0.92021 -0.14843 0.31334 0.92363 0.61507
369 11D-1 -0.14843 0.74882 -0.18091 -0.53326 -0.38537
370 11D+2 -0.34899 0.08508 0.00170 -0.15566 -0.32906
371 11D-2 0.48806 -0.34899 -0.00294 0.26961 0.32580
372 12D 0 -0.47198 0.27250 0.14307 0.26642 0.67547
373 12D+1 0.39256 -0.22361 0.28432 0.36276 0.36191
374 12D-1 -0.22361 0.13436 -0.16415 -0.20944 -0.06124
375 12D+2 -0.19799 0.04290 0.18501 -0.10517 -0.08229
376 12D-2 0.27152 -0.19799 -0.32045 0.18216 0.12635
377 13F 0 -0.03264 0.01884 0.04525 -0.18629 -0.08285
378 13F+1 -0.04666 0.03488 -0.07608 -0.01193 0.02051
379 13F-1 0.03488 -0.00638 0.04392 0.00689 -0.02404
380 13F+2 -0.00393 0.05263 -0.06413 0.09073 0.02653
381 13F-2 0.05717 -0.00393 0.11107 -0.15714 -0.17330
382 13F+3 0.03743 0.06482 0.00000 0.00000 -0.02353
383 13F-3 -0.01889 0.01091 0.05638 -0.04637 -0.04115
384 14F 0 -0.39014 0.22525 -0.21241 -0.13546 -0.01202
385 14F+1 -0.06187 0.09837 -0.02267 0.05285 0.23811
386 14F-1 0.09837 0.05172 0.01309 -0.03051 -0.17124
387 14F+2 0.17488 0.08263 -0.02909 0.03925 0.11323
388 14F-2 -0.11931 0.17488 0.05038 -0.06798 -0.08896
389 14F+3 -0.03801 -0.06583 0.00000 0.00000 -0.06989
390 14F-3 0.22506 -0.12994 -0.13312 0.11329 -0.02488
391 8 H 1S 0.00437 0.00252 -0.26423 0.15198 -0.30341
392 2S 0.24082 0.13903 3.28153 -1.50240 1.63021
393 3S 0.55390 0.31980 5.00521 0.11519 10.47795
394 4S 1.17136 0.67628 -0.16998 0.26195 1.39436
395 5S 0.11208 0.06471 0.03261 -0.00081 0.17382
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397 6PY 0.13309 -0.05969 -0.12683 0.00956 0.05511
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412 10D-2 -0.25141 -0.19739 -0.04955 0.25145 -0.18444
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418 12D 0 0.47198 0.27250 0.14307 0.26642 -0.67547
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420 12D-1 0.22361 0.13436 -0.16415 -0.20944 0.06124
421 12D+2 0.19799 0.04290 0.18501 -0.10517 0.08229
422 12D-2 0.27152 0.19799 0.32045 -0.18216 0.12635
423 13F 0 0.03264 0.01884 0.04525 -0.18629 0.08285
424 13F+1 -0.04666 -0.03488 0.07608 0.01193 0.02051
425 13F-1 -0.03488 -0.00638 0.04392 0.00689 0.02404
426 13F+2 0.00393 0.05263 -0.06413 0.09073 -0.02653
427 13F-2 0.05717 0.00393 -0.11107 0.15714 -0.17330
428 13F+3 0.03743 -0.06482 0.00000 0.00000 -0.02353
429 13F-3 0.01889 0.01091 0.05638 -0.04637 0.04115
430 14F 0 0.39014 0.22525 -0.21241 -0.13546 0.01202
431 14F+1 -0.06187 -0.09837 0.02267 -0.05285 0.23811
432 14F-1 -0.09837 0.05172 0.01309 -0.03051 0.17124
433 14F+2 -0.17488 0.08263 -0.02909 0.03925 -0.11323
434 14F-2 -0.11931 -0.17488 -0.05038 0.06798 -0.08896
435 14F+3 -0.03801 0.06583 0.00000 0.00000 -0.06989
436 14F-3 -0.22506 -0.12994 -0.13312 0.11329 0.02488
401 402 403 404 405
(EG)--V (A1U)--V (EU)--V (EU)--V (EU)--V
Eigenvalues -- 9.94837 9.99735 10.08820 10.08820 10.22219
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30 13D+2 1.21930 0.00000 0.00000 -0.18681 0.00000
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34 14D-1 -6.28113 0.00000 0.00000 -2.84530 0.00000
35 14D+2 2.67850 0.00000 0.00000 -0.58222 0.00000
36 14D-2 0.00000 0.00000 0.58222 0.00000 2.58232
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46 16F-2 0.00000 0.00000 0.14234 0.00000 0.13060
47 16F+3 0.00000 0.01188 0.00000 0.00000 0.00000
48 16F-3 0.00000 0.00000 0.00000 0.00000 0.00000
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50 17F+1 0.00000 0.00000 1.63270 0.00000 -1.90439
51 17F-1 -1.62834 0.00000 0.00000 -1.63270 0.00000
52 17F+2 1.81530 0.00000 0.00000 1.98005 0.00000
53 17F-2 0.00000 0.00000 -1.98005 0.00000 0.60072
54 17F+3 0.00000 3.32694 0.00000 0.00000 0.00000
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411 412 413 414 415
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423 13F 0 -0.18298 -0.10565 0.13446 0.07763 0.01160
424 13F+1 -0.15999 -0.15404 0.04180 0.10523 0.06796
425 13F-1 -0.15404 0.01787 0.10523 -0.07970 0.03924
426 13F+2 0.21537 -0.19558 -0.17719 0.16455 -0.08514
427 13F-2 0.05311 0.21537 -0.04005 -0.17719 -0.14746
428 13F+3 -0.33426 0.57895 0.34994 -0.60611 0.00000
429 13F-3 -0.03883 -0.02242 0.18312 0.10572 0.14375
430 14F 0 -0.05512 -0.03182 0.09664 0.05580 -0.07897
431 14F+1 0.09951 -0.03231 0.01473 0.08289 0.23110
432 14F-1 -0.03231 0.13682 0.08289 -0.08098 0.13343
433 14F+2 0.02864 0.01137 -0.08513 -0.09451 -0.04999
434 14F-2 0.04444 0.02864 -0.19282 -0.08513 -0.08658
435 14F+3 -0.12594 0.21814 0.12603 -0.21829 0.00000
436 14F-3 -0.05557 -0.03209 0.19103 0.11029 -0.08307
416 417 418 419 420
(A1G)--V (EG)--V (EG)--V (EU)--V (EU)--V
Eigenvalues -- 10.77186 10.87805 10.87805 10.97425 10.97425
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34 14D-1 0.00000 0.87833 0.00000 0.00000 2.75497
35 14D+2 0.00000 2.50897 0.00000 0.00000 -2.72737
36 14D-2 0.00000 0.00000 2.50897 -2.72737 0.00000
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53 17F-2 0.00000 0.00000 -0.00370 -1.13594 0.00000
54 17F+3 0.00000 0.00000 0.00000 0.00000 0.00000
55 17F-3 1.98959 0.00000 0.00000 0.00000 0.00000
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59 18F+2 0.00000 0.66678 0.00000 0.00000 -0.79669
60 18F-2 0.00000 0.00000 0.66678 -0.79669 0.00000
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62 18F-3 0.95028 0.00000 0.00000 0.00000 0.00000
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66 19G+2 0.00000 -0.48108 0.00000 0.00000 0.48548
67 19G-2 0.00000 0.00000 -0.48108 0.48548 0.00000
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69 19G-3 -0.38095 0.00000 0.00000 0.00000 0.00000
70 19G+4 0.00000 -0.47119 0.00000 0.00000 0.50847
71 19G-4 0.00000 0.00000 0.47119 -0.50847 0.00000
72 20G 0 -0.87352 0.00000 0.00000 0.00000 0.00000
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80 20G-4 0.00000 0.00000 0.36728 -0.52258 0.00000
81 2 C 1S -0.02359 0.00000 0.00000 0.00000 0.00000
82 2S 0.01124 0.00000 0.00000 0.00000 0.00000
83 3S 0.42412 0.00000 0.00000 0.00000 0.00000
84 4S -2.44782 0.00000 0.00000 0.00000 0.00000
85 5S 3.37471 0.00000 0.00000 0.00000 0.00000
86 6S 0.52625 0.00000 0.00000 0.00000 0.00000
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88 7PY 0.00000 -0.10648 0.00000 0.00000 -0.03466
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120 15D+2 0.00000 0.38684 0.00000 0.00000 -0.29200
121 15D-2 0.00000 0.00000 0.38684 -0.29200 0.00000
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124 16F-1 0.00000 -0.41569 0.00000 0.00000 -0.20231
125 16F+2 0.00000 0.16350 0.00000 0.00000 0.19774
126 16F-2 0.00000 0.00000 0.16350 0.19774 0.00000
127 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000
128 16F-3 -0.17720 0.00000 0.00000 0.00000 0.00000
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132 17F+2 0.00000 0.00370 0.00000 0.00000 -1.13594
133 17F-2 0.00000 0.00000 0.00370 -1.13594 0.00000
134 17F+3 0.00000 0.00000 0.00000 0.00000 0.00000
135 17F-3 -1.98959 0.00000 0.00000 0.00000 0.00000
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138 18F-1 0.00000 -0.77062 0.00000 0.00000 -1.18539
139 18F+2 0.00000 -0.66678 0.00000 0.00000 -0.79669
140 18F-2 0.00000 0.00000 -0.66678 -0.79669 0.00000
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147 19G-2 0.00000 0.00000 -0.48108 -0.48548 0.00000
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151 19G-4 0.00000 0.00000 0.47119 0.50847 0.00000
152 20G 0 -0.87352 0.00000 0.00000 0.00000 0.00000
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154 20G-1 0.00000 -0.76979 0.00000 0.00000 0.00989
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156 20G-2 0.00000 0.00000 -0.22427 0.30239 0.00000
157 20G+3 0.00000 0.00000 0.00000 0.00000 0.00000
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160 20G-4 0.00000 0.00000 0.36728 0.52258 0.00000
161 3 H 1S -0.04785 0.05641 0.00000 0.00000 0.05312
162 2S 0.34976 1.21322 0.00000 0.00000 -3.09257
163 3S -0.47991 -2.49908 0.00000 0.00000 -0.50395
164 4S -0.71716 1.51773 0.00000 0.00000 -1.96361
165 5S -0.03560 -0.12906 0.00000 0.00000 -0.24331
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168 6PZ 0.67072 0.47564 0.00000 0.00000 0.22718
169 7PX 0.00000 0.00000 -0.33181 -0.21213 0.00000
170 7PY 0.64502 1.19313 0.00000 0.00000 -0.88300
171 7PZ -1.97720 -2.03751 0.00000 0.00000 0.44807
172 8PX 0.00000 0.00000 -1.58344 0.19399 0.00000
173 8PY 1.11094 3.07595 0.00000 0.00000 -2.36660
174 8PZ -2.37598 -1.17456 0.00000 0.00000 -1.32409
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177 9PZ -0.22985 -0.50285 0.00000 0.00000 -0.83418
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181 10D+2 0.14779 -0.12717 0.00000 0.00000 0.17609
182 10D-2 0.00000 0.00000 -0.21813 0.08202 0.00000
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184 11D+1 0.00000 0.00000 -0.18284 0.34646 0.00000
185 11D-1 1.19078 0.58658 0.00000 0.00000 0.81438
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187 11D-2 0.00000 0.00000 0.78568 -0.08358 0.00000
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195 13F-1 -0.54954 -0.57351 0.00000 0.00000 0.29253
196 13F+2 0.20875 0.09844 0.00000 0.00000 0.15099
197 13F-2 0.00000 0.00000 0.04501 -0.10112 0.00000
198 13F+3 0.00000 0.00000 0.21196 -0.04183 0.00000
199 13F-3 -0.12145 -0.30696 0.00000 0.00000 0.41371
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207 4 H 1S -0.04785 -0.02821 -0.04885 -0.04600 -0.02656
208 2S 0.34976 -0.60661 -1.05068 2.67824 1.54628
209 3S -0.47991 1.24954 2.16427 0.43644 0.25198
210 4S -0.71716 -0.75886 -1.31439 1.70054 0.98181
211 5S -0.03560 0.06453 0.11177 0.21072 0.12166
212 6PX 0.21031 -0.46309 -0.56053 0.72166 0.40967
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214 6PZ 0.67072 -0.23782 -0.41191 -0.19674 -0.11359
215 7PX -0.55860 0.66032 0.81189 -0.71528 -0.29049
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218 8PX -0.96210 2.01758 1.91110 -1.72645 -1.10877
219 8PY -0.55547 -0.41859 2.01758 -1.10877 -0.44616
220 8PZ -2.37598 0.58728 1.01720 1.14670 0.66204
221 9PX -0.11236 0.17262 0.02507 -0.06952 0.41016
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223 9PZ -0.22985 0.25143 0.43548 0.72242 0.41709
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238 12D-2 0.12981 0.06457 0.45803 -0.39599 -0.26457
239 13F 0 0.07246 0.03117 0.05398 -0.10909 -0.06298
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243 13F-2 -0.18078 0.02314 0.08508 0.08796 0.10917
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245 13F-3 -0.12145 0.15348 0.26584 -0.35828 -0.20685
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251 14F+3 0.00000 0.05456 -0.03150 0.00937 -0.01624
252 14F-3 0.12640 0.01289 0.02233 -0.08280 -0.04781
253 5 H 1S -0.04785 -0.02821 0.04885 0.04600 -0.02656
254 2S 0.34976 -0.60661 1.05068 -2.67824 1.54628
255 3S -0.47991 1.24954 -2.16427 -0.43644 0.25198
256 4S -0.71716 -0.75886 1.31439 -1.70054 0.98181
257 5S -0.03560 0.06453 -0.11177 -0.21072 0.12166
258 6PX -0.21031 0.46309 -0.56053 0.72166 -0.40967
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260 6PZ 0.67072 -0.23782 0.41191 0.19674 -0.11359
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262 7PY -0.32251 0.04942 -0.66032 0.29049 -0.37985
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264 8PX 0.96210 -2.01758 1.91110 -1.72645 1.10877
265 8PY -0.55547 -0.41859 -2.01758 1.10877 -0.44616
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269 9PZ -0.22985 0.25143 -0.43548 -0.72242 0.41709
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275 11D 0 1.15467 -0.76513 1.32524 -0.50407 0.29102
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290 13F+3 0.00000 -0.18356 -0.10598 0.02091 0.03622
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292 14F 0 0.01179 -0.02387 0.04134 -0.03933 0.02270
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294 14F-1 0.03866 0.01697 0.11487 -0.01537 0.00391
295 14F+2 -0.02681 0.02266 0.04768 -0.12363 -0.04953
296 14F-2 0.04644 0.04768 -0.03240 0.09322 -0.12363
297 14F+3 0.00000 -0.05456 -0.03150 0.00937 0.01624
298 14F-3 0.12640 0.01289 -0.02233 0.08280 -0.04781
299 6 H 1S -0.04785 0.05641 0.00000 0.00000 -0.05312
300 2S 0.34976 1.21322 0.00000 0.00000 3.09257
301 3S -0.47991 -2.49908 0.00000 0.00000 0.50395
302 4S -0.71716 1.51773 0.00000 0.00000 1.96361
303 5S -0.03560 -0.12906 0.00000 0.00000 0.24331
304 6PX 0.00000 0.00000 -0.24156 0.01209 0.00000
305 6PY 0.24284 0.82790 0.00000 0.00000 0.95818
306 6PZ -0.67072 -0.47564 0.00000 0.00000 0.22718
307 7PX 0.00000 0.00000 0.33181 -0.21213 0.00000
308 7PY -0.64502 -1.19313 0.00000 0.00000 -0.88300
309 7PZ 1.97720 2.03751 0.00000 0.00000 0.44807
310 8PX 0.00000 0.00000 1.58344 0.19399 0.00000
311 8PY -1.11094 -3.07595 0.00000 0.00000 -2.36660
312 8PZ 2.37598 1.17456 0.00000 0.00000 -1.32409
313 9PX 0.00000 0.00000 0.27391 -0.77994 0.00000
314 9PY -0.12974 -0.12473 0.00000 0.00000 0.16728
315 9PZ 0.22985 0.50285 0.00000 0.00000 -0.83418
316 10D 0 0.05292 -0.03602 0.00000 0.00000 0.14249
317 10D+1 0.00000 0.00000 -0.00009 -0.00258 0.00000
318 10D-1 0.04763 0.38023 0.00000 0.00000 0.51555
319 10D+2 0.14779 -0.12717 0.00000 0.00000 -0.17609
320 10D-2 0.00000 0.00000 -0.21813 -0.08202 0.00000
321 11D 0 1.15467 1.53025 0.00000 0.00000 0.58205
322 11D+1 0.00000 0.00000 -0.18284 -0.34646 0.00000
323 11D-1 1.19078 0.58658 0.00000 0.00000 -0.81438
324 11D+2 0.31862 1.13229 0.00000 0.00000 1.34528
325 11D-2 0.00000 0.00000 0.78568 0.08358 0.00000
326 12D 0 0.44606 0.41349 0.00000 0.00000 -0.24396
327 12D+1 0.00000 0.00000 -0.21504 -0.28785 0.00000
328 12D-1 0.26917 0.13508 0.00000 0.00000 -0.53575
329 12D+2 -0.14990 0.49531 0.00000 0.00000 0.54874
330 12D-2 0.00000 0.00000 0.34620 -0.06225 0.00000
331 13F 0 -0.07246 0.06234 0.00000 0.00000 0.12596
332 13F+1 0.00000 0.00000 -0.13820 -0.08871 0.00000
333 13F-1 0.54954 0.57351 0.00000 0.00000 0.29253
334 13F+2 -0.20875 -0.09844 0.00000 0.00000 0.15099
335 13F-2 0.00000 0.00000 -0.04501 -0.10112 0.00000
336 13F+3 0.00000 0.00000 -0.21196 -0.04183 0.00000
337 13F-3 0.12145 0.30696 0.00000 0.00000 0.41371
338 14F 0 -0.01179 -0.04773 0.00000 0.00000 -0.04541
339 14F+1 0.00000 0.00000 -0.08329 -0.00496 0.00000
340 14F-1 0.07731 0.18198 0.00000 0.00000 0.03053
341 14F+2 -0.05363 0.05993 0.00000 0.00000 0.16460
342 14F-2 0.00000 0.00000 -0.05019 -0.12090 0.00000
343 14F+3 0.00000 0.00000 -0.06300 -0.01875 0.00000
344 14F-3 -0.12640 0.02578 0.00000 0.00000 0.09561
345 7 H 1S -0.04785 -0.02821 0.04885 -0.04600 0.02656
346 2S 0.34976 -0.60661 1.05068 2.67824 -1.54628
347 3S -0.47991 1.24954 -2.16427 0.43644 -0.25198
348 4S -0.71716 -0.75886 1.31439 1.70054 -0.98181
349 5S -0.03560 0.06453 -0.11177 0.21072 -0.12166
350 6PX 0.21031 -0.46309 0.56053 0.72166 -0.40967
351 6PY -0.12142 0.02581 -0.46309 -0.40967 0.24861
352 6PZ -0.67072 0.23782 -0.41191 0.19674 -0.11359
353 7PX -0.55860 0.66032 -0.81189 -0.71528 0.29049
354 7PY 0.32251 -0.04942 0.66032 0.29049 -0.37985
355 7PZ 1.97720 -1.01876 1.76454 0.38804 -0.22403
356 8PX -0.96210 2.01758 -1.91110 -1.72645 1.10877
357 8PY 0.55547 0.41859 2.01758 1.10877 -0.44616
358 8PZ 2.37598 -0.58728 1.01720 -1.14670 0.66204
359 9PX -0.11236 0.17262 -0.02507 -0.06952 -0.41016
360 9PY 0.06487 0.17425 0.17262 -0.41016 -0.54314
361 9PZ 0.22985 -0.25143 0.43548 -0.72242 0.41709
362 10D 0 0.05292 0.01801 -0.03120 0.12340 -0.07125
363 10D+1 0.04125 -0.16468 0.28515 0.38602 -0.22436
364 10D-1 -0.02381 0.09499 -0.16468 -0.22436 0.12695
365 10D+2 -0.07390 -0.19539 -0.03939 0.04073 -0.10554
366 10D-2 0.12799 -0.03939 -0.14991 -0.15257 0.04073
367 11D 0 1.15467 -0.76513 1.32524 0.50407 -0.29102
368 11D+1 1.03124 -0.33317 0.39422 -0.69740 0.20262
369 11D-1 -0.59539 0.00952 -0.33317 0.20262 -0.46344
370 11D+2 -0.15931 0.87234 -0.15009 -0.54633 0.39900
371 11D-2 0.27593 -0.15009 1.04564 1.02985 -0.54633
372 12D 0 0.44606 -0.20675 0.35810 -0.21128 0.12198
373 12D+1 0.23311 -0.15161 0.04755 -0.47377 0.10734
374 12D-1 -0.13458 -0.12751 -0.15161 0.10734 -0.34982
375 12D+2 0.07495 0.38348 -0.06457 -0.26457 0.09049
376 12D-2 -0.12981 -0.06457 0.45803 0.39599 -0.26457
377 13F 0 -0.07246 -0.03117 0.05398 0.10909 -0.06298
378 13F+1 0.47592 -0.30818 0.39558 0.19722 -0.16509
379 13F-1 -0.27477 0.03973 -0.30818 -0.16509 0.00660
380 13F+2 0.10437 -0.05837 0.02314 -0.10917 -0.03809
381 13F-2 -0.18078 0.02314 -0.08508 0.08796 -0.10917
382 13F+3 0.00000 0.18356 0.10598 0.02091 0.03622
383 13F-3 0.12145 -0.15348 0.26584 0.35828 -0.20685
384 14F 0 -0.01179 0.02387 -0.04134 -0.03933 0.02270
385 14F+1 0.06695 -0.11487 0.11566 0.02166 -0.01537
386 14F-1 -0.03866 -0.01697 -0.11487 -0.01537 0.00391
387 14F+2 0.02681 -0.02266 -0.04768 -0.12363 -0.04953
388 14F-2 -0.04644 -0.04768 0.03240 0.09322 -0.12363
389 14F+3 0.00000 0.05456 0.03150 0.00937 0.01624
390 14F-3 -0.12640 -0.01289 0.02233 0.08280 -0.04781
391 8 H 1S -0.04785 -0.02821 -0.04885 0.04600 0.02656
392 2S 0.34976 -0.60661 -1.05068 -2.67824 -1.54628
393 3S -0.47991 1.24954 2.16427 -0.43644 -0.25198
394 4S -0.71716 -0.75886 -1.31439 -1.70054 -0.98181
395 5S -0.03560 0.06453 0.11177 -0.21072 -0.12166
396 6PX -0.21031 0.46309 0.56053 0.72166 0.40967
397 6PY -0.12142 0.02581 0.46309 0.40967 0.24861
398 6PZ -0.67072 0.23782 0.41191 -0.19674 -0.11359
399 7PX 0.55860 -0.66032 -0.81189 -0.71528 -0.29049
400 7PY 0.32251 -0.04942 -0.66032 -0.29049 -0.37985
401 7PZ 1.97720 -1.01876 -1.76454 -0.38804 -0.22403
402 8PX 0.96210 -2.01758 -1.91110 -1.72645 -1.10877
403 8PY 0.55547 0.41859 -2.01758 -1.10877 -0.44616
404 8PZ 2.37598 -0.58728 -1.01720 1.14670 0.66204
405 9PX 0.11236 -0.17262 -0.02507 -0.06952 0.41016
406 9PY 0.06487 0.17425 -0.17262 0.41016 -0.54314
407 9PZ 0.22985 -0.25143 -0.43548 0.72242 0.41709
408 10D 0 0.05292 0.01801 0.03120 -0.12340 -0.07125
409 10D+1 -0.04125 0.16468 0.28515 0.38602 0.22436
410 10D-1 -0.02381 0.09499 0.16468 0.22436 0.12695
411 10D+2 -0.07390 -0.19539 0.03939 -0.04073 -0.10554
412 10D-2 -0.12799 0.03939 -0.14991 -0.15257 -0.04073
413 11D 0 1.15467 -0.76513 -1.32524 -0.50407 -0.29102
414 11D+1 -1.03124 0.33317 0.39422 -0.69740 -0.20262
415 11D-1 -0.59539 0.00952 0.33317 -0.20262 -0.46344
416 11D+2 -0.15931 0.87234 0.15009 0.54633 0.39900
417 11D-2 -0.27593 0.15009 1.04564 1.02985 0.54633
418 12D 0 0.44606 -0.20675 -0.35810 0.21128 0.12198
419 12D+1 -0.23311 0.15161 0.04755 -0.47377 -0.10734
420 12D-1 -0.13458 -0.12751 0.15161 -0.10734 -0.34982
421 12D+2 0.07495 0.38348 0.06457 0.26457 0.09049
422 12D-2 0.12981 0.06457 0.45803 0.39599 0.26457
423 13F 0 -0.07246 -0.03117 -0.05398 -0.10909 -0.06298
424 13F+1 -0.47592 0.30818 0.39558 0.19722 0.16509
425 13F-1 -0.27477 0.03973 0.30818 0.16509 0.00660
426 13F+2 0.10437 -0.05837 -0.02314 0.10917 -0.03809
427 13F-2 0.18078 -0.02314 -0.08508 0.08796 0.10917
428 13F+3 0.00000 -0.18356 0.10598 0.02091 -0.03622
429 13F-3 0.12145 -0.15348 -0.26584 -0.35828 -0.20685
430 14F 0 -0.01179 0.02387 0.04134 0.03933 0.02270
431 14F+1 -0.06695 0.11487 0.11566 0.02166 0.01537
432 14F-1 -0.03866 -0.01697 0.11487 0.01537 0.00391
433 14F+2 0.02681 -0.02266 0.04768 0.12363 -0.04953
434 14F-2 0.04644 0.04768 0.03240 0.09322 0.12363
435 14F+3 0.00000 -0.05456 0.03150 0.00937 -0.01624
436 14F-3 -0.12640 -0.01289 -0.02233 -0.08280 -0.04781
421 422 423 424 425
(A2U)--V (A1G)--V (EG)--V (EG)--V (A1U)--V
Eigenvalues -- 10.99787 11.00446 11.24159 11.24159 11.34524
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2 2S 0.14436 0.18562 0.00000 0.00000 0.00000
3 3S -0.65613 0.89512 0.00000 0.00000 0.00000
4 4S 16.29821 8.26918 0.00000 0.00000 0.00000
5 5S 28.42385 15.31322 0.00000 0.00000 0.00000
6 6S 4.50281 1.05516 0.00000 0.00000 0.00000
7 7PX 0.00000 0.00000 0.30813 0.00000 0.00000
8 7PY 0.00000 0.00000 0.00000 0.30813 0.00000
9 7PZ -0.14878 -0.12627 0.00000 0.00000 0.00000
10 8PX 0.00000 0.00000 -3.24867 0.00000 0.00000
11 8PY 0.00000 0.00000 0.00000 -3.24867 0.00000
12 8PZ 1.14665 1.34262 0.00000 0.00000 0.00000
13 9PX 0.00000 0.00000 4.93642 0.00000 0.00000
14 9PY 0.00000 0.00000 0.00000 4.93642 0.00000
15 9PZ 3.38748 4.16829 0.00000 0.00000 0.00000
16 10PX 0.00000 0.00000 5.14549 0.00000 0.00000
17 10PY 0.00000 0.00000 0.00000 5.14549 0.00000
18 10PZ -4.46668 1.02949 0.00000 0.00000 0.00000
19 11PX 0.00000 0.00000 0.45990 0.00000 0.00000
20 11PY 0.00000 0.00000 0.00000 0.45990 0.00000
21 11PZ -0.64005 0.05761 0.00000 0.00000 0.00000
22 12D 0 -0.34239 -0.28392 0.00000 0.00000 0.00000
23 12D+1 0.00000 0.00000 -0.34008 0.00000 0.00000
24 12D-1 0.00000 0.00000 0.00000 -0.34008 0.00000
25 12D+2 0.00000 0.00000 0.00000 0.62785 0.00000
26 12D-2 0.00000 0.00000 0.62785 0.00000 0.00000
27 13D 0 0.77089 -0.44324 0.00000 0.00000 0.00000
28 13D+1 0.00000 0.00000 0.26815 0.00000 0.00000
29 13D-1 0.00000 0.00000 0.00000 0.26815 0.00000
30 13D+2 0.00000 0.00000 0.00000 -0.56175 0.00000
31 13D-2 0.00000 0.00000 -0.56175 0.00000 0.00000
32 14D 0 1.28733 1.07549 0.00000 0.00000 0.00000
33 14D+1 0.00000 0.00000 -2.95732 0.00000 0.00000
34 14D-1 0.00000 0.00000 0.00000 -2.95732 0.00000
35 14D+2 0.00000 0.00000 0.00000 -3.08558 0.00000
36 14D-2 0.00000 0.00000 -3.08558 0.00000 0.00000
37 15D 0 0.55288 0.23080 0.00000 0.00000 0.00000
38 15D+1 0.00000 0.00000 -0.62131 0.00000 0.00000
39 15D-1 0.00000 0.00000 0.00000 -0.62131 0.00000
40 15D+2 0.00000 0.00000 0.00000 -0.83112 0.00000
41 15D-2 0.00000 0.00000 -0.83112 0.00000 0.00000
42 16F 0 -0.04148 0.16939 0.00000 0.00000 0.00000
43 16F+1 0.00000 0.00000 0.26101 0.00000 0.00000
44 16F-1 0.00000 0.00000 0.00000 0.26101 0.00000
45 16F+2 0.00000 0.00000 0.00000 -0.23865 0.00000
46 16F-2 0.00000 0.00000 -0.23865 0.00000 0.00000
47 16F+3 0.00000 0.00000 0.00000 0.00000 0.74169
48 16F-3 0.06845 -0.01433 0.00000 0.00000 0.00000
49 17F 0 -0.93676 -0.59063 0.00000 0.00000 0.00000
50 17F+1 0.00000 0.00000 3.37328 0.00000 0.00000
51 17F-1 0.00000 0.00000 0.00000 3.37328 0.00000
52 17F+2 0.00000 0.00000 0.00000 -2.62037 0.00000
53 17F-2 0.00000 0.00000 -2.62037 0.00000 0.00000
54 17F+3 0.00000 0.00000 0.00000 0.00000 4.20074
55 17F-3 0.37097 0.19633 0.00000 0.00000 0.00000
56 18F 0 -1.07801 -1.00809 0.00000 0.00000 0.00000
57 18F+1 0.00000 0.00000 0.67952 0.00000 0.00000
58 18F-1 0.00000 0.00000 0.00000 0.67952 0.00000
59 18F+2 0.00000 0.00000 0.00000 -0.76748 0.00000
60 18F-2 0.00000 0.00000 -0.76748 0.00000 0.00000
61 18F+3 0.00000 0.00000 0.00000 0.00000 1.38159
62 18F-3 0.08907 -0.23021 0.00000 0.00000 0.00000
63 19G 0 -0.17238 0.21836 0.00000 0.00000 0.00000
64 19G+1 0.00000 0.00000 -0.43737 0.00000 0.00000
65 19G-1 0.00000 0.00000 0.00000 -0.43737 0.00000
66 19G+2 0.00000 0.00000 0.00000 -0.55406 0.00000
67 19G-2 0.00000 0.00000 -0.55406 0.00000 0.00000
68 19G+3 0.00000 0.00000 0.00000 0.00000 1.00608
69 19G-3 0.28949 0.52482 0.00000 0.00000 0.00000
70 19G+4 0.00000 0.00000 0.00000 -0.21564 0.00000
71 19G-4 0.00000 0.00000 0.21564 0.00000 0.00000
72 20G 0 -0.10819 -0.19385 0.00000 0.00000 0.00000
73 20G+1 0.00000 0.00000 -0.90779 0.00000 0.00000
74 20G-1 0.00000 0.00000 0.00000 -0.90779 0.00000
75 20G+2 0.00000 0.00000 0.00000 -0.78147 0.00000
76 20G-2 0.00000 0.00000 -0.78147 0.00000 0.00000
77 20G+3 0.00000 0.00000 0.00000 0.00000 1.13738
78 20G-3 -0.14874 -0.55478 0.00000 0.00000 0.00000
79 20G+4 0.00000 0.00000 0.00000 -0.03441 0.00000
80 20G-4 0.00000 0.00000 0.03441 0.00000 0.00000
81 2 C 1S 0.07050 -0.05229 0.00000 0.00000 0.00000
82 2S -0.14436 0.18562 0.00000 0.00000 0.00000
83 3S 0.65613 0.89512 0.00000 0.00000 0.00000
84 4S -16.29821 8.26918 0.00000 0.00000 0.00000
85 5S -28.42385 15.31322 0.00000 0.00000 0.00000
86 6S -4.50281 1.05516 0.00000 0.00000 0.00000
87 7PX 0.00000 0.00000 -0.30813 0.00000 0.00000
88 7PY 0.00000 0.00000 0.00000 -0.30813 0.00000
89 7PZ -0.14878 0.12627 0.00000 0.00000 0.00000
90 8PX 0.00000 0.00000 3.24867 0.00000 0.00000
91 8PY 0.00000 0.00000 0.00000 3.24867 0.00000
92 8PZ 1.14665 -1.34262 0.00000 0.00000 0.00000
93 9PX 0.00000 0.00000 -4.93642 0.00000 0.00000
94 9PY 0.00000 0.00000 0.00000 -4.93642 0.00000
95 9PZ 3.38748 -4.16829 0.00000 0.00000 0.00000
96 10PX 0.00000 0.00000 -5.14549 0.00000 0.00000
97 10PY 0.00000 0.00000 0.00000 -5.14549 0.00000
98 10PZ -4.46668 -1.02949 0.00000 0.00000 0.00000
99 11PX 0.00000 0.00000 -0.45990 0.00000 0.00000
100 11PY 0.00000 0.00000 0.00000 -0.45990 0.00000
101 11PZ -0.64005 -0.05761 0.00000 0.00000 0.00000
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103 12D+1 0.00000 0.00000 -0.34008 0.00000 0.00000
104 12D-1 0.00000 0.00000 0.00000 -0.34008 0.00000
105 12D+2 0.00000 0.00000 0.00000 0.62785 0.00000
106 12D-2 0.00000 0.00000 0.62785 0.00000 0.00000
107 13D 0 -0.77089 -0.44324 0.00000 0.00000 0.00000
108 13D+1 0.00000 0.00000 0.26815 0.00000 0.00000
109 13D-1 0.00000 0.00000 0.00000 0.26815 0.00000
110 13D+2 0.00000 0.00000 0.00000 -0.56175 0.00000
111 13D-2 0.00000 0.00000 -0.56175 0.00000 0.00000
112 14D 0 -1.28733 1.07549 0.00000 0.00000 0.00000
113 14D+1 0.00000 0.00000 -2.95732 0.00000 0.00000
114 14D-1 0.00000 0.00000 0.00000 -2.95732 0.00000
115 14D+2 0.00000 0.00000 0.00000 -3.08558 0.00000
116 14D-2 0.00000 0.00000 -3.08558 0.00000 0.00000
117 15D 0 -0.55288 0.23080 0.00000 0.00000 0.00000
118 15D+1 0.00000 0.00000 -0.62131 0.00000 0.00000
119 15D-1 0.00000 0.00000 0.00000 -0.62131 0.00000
120 15D+2 0.00000 0.00000 0.00000 -0.83112 0.00000
121 15D-2 0.00000 0.00000 -0.83112 0.00000 0.00000
122 16F 0 -0.04148 -0.16939 0.00000 0.00000 0.00000
123 16F+1 0.00000 0.00000 -0.26101 0.00000 0.00000
124 16F-1 0.00000 0.00000 0.00000 -0.26101 0.00000
125 16F+2 0.00000 0.00000 0.00000 0.23865 0.00000
126 16F-2 0.00000 0.00000 0.23865 0.00000 0.00000
127 16F+3 0.00000 0.00000 0.00000 0.00000 0.74169
128 16F-3 0.06845 0.01433 0.00000 0.00000 0.00000
129 17F 0 -0.93676 0.59063 0.00000 0.00000 0.00000
130 17F+1 0.00000 0.00000 -3.37328 0.00000 0.00000
131 17F-1 0.00000 0.00000 0.00000 -3.37328 0.00000
132 17F+2 0.00000 0.00000 0.00000 2.62037 0.00000
133 17F-2 0.00000 0.00000 2.62037 0.00000 0.00000
134 17F+3 0.00000 0.00000 0.00000 0.00000 4.20074
135 17F-3 0.37097 -0.19633 0.00000 0.00000 0.00000
136 18F 0 -1.07801 1.00809 0.00000 0.00000 0.00000
137 18F+1 0.00000 0.00000 -0.67952 0.00000 0.00000
138 18F-1 0.00000 0.00000 0.00000 -0.67952 0.00000
139 18F+2 0.00000 0.00000 0.00000 0.76748 0.00000
140 18F-2 0.00000 0.00000 0.76748 0.00000 0.00000
141 18F+3 0.00000 0.00000 0.00000 0.00000 1.38159
142 18F-3 0.08907 0.23021 0.00000 0.00000 0.00000
143 19G 0 0.17238 0.21836 0.00000 0.00000 0.00000
144 19G+1 0.00000 0.00000 -0.43737 0.00000 0.00000
145 19G-1 0.00000 0.00000 0.00000 -0.43737 0.00000
146 19G+2 0.00000 0.00000 0.00000 -0.55406 0.00000
147 19G-2 0.00000 0.00000 -0.55406 0.00000 0.00000
148 19G+3 0.00000 0.00000 0.00000 0.00000 -1.00608
149 19G-3 -0.28949 0.52482 0.00000 0.00000 0.00000
150 19G+4 0.00000 0.00000 0.00000 -0.21564 0.00000
151 19G-4 0.00000 0.00000 0.21564 0.00000 0.00000
152 20G 0 0.10819 -0.19385 0.00000 0.00000 0.00000
153 20G+1 0.00000 0.00000 -0.90779 0.00000 0.00000
154 20G-1 0.00000 0.00000 0.00000 -0.90779 0.00000
155 20G+2 0.00000 0.00000 0.00000 -0.78147 0.00000
156 20G-2 0.00000 0.00000 -0.78147 0.00000 0.00000
157 20G+3 0.00000 0.00000 0.00000 0.00000 -1.13738
158 20G-3 0.14874 -0.55478 0.00000 0.00000 0.00000
159 20G+4 0.00000 0.00000 0.00000 -0.03441 0.00000
160 20G-4 0.00000 0.00000 0.03441 0.00000 0.00000
161 3 H 1S 0.37107 0.34327 0.00000 0.11774 0.00000
162 2S -0.20305 -0.17342 0.00000 -2.92152 0.00000
163 3S -7.95475 -6.79050 0.00000 0.99053 0.00000
164 4S -2.50639 -2.88606 0.00000 -3.42356 0.00000
165 5S 0.02721 -0.08240 0.00000 -0.24379 0.00000
166 6PX 0.00000 0.00000 -0.21241 0.00000 -0.61080
167 6PY -0.82873 -0.78057 0.00000 0.47367 0.00000
168 6PZ -0.05266 -0.16527 0.00000 0.79568 0.00000
169 7PX 0.00000 0.00000 0.84350 0.00000 2.58038
170 7PY 1.64777 1.35643 0.00000 0.46354 0.00000
171 7PZ -0.03620 0.22364 0.00000 -2.35057 0.00000
172 8PX 0.00000 0.00000 1.49585 0.00000 2.21640
173 8PY 3.12594 2.58618 0.00000 -1.95429 0.00000
174 8PZ 0.07687 0.48059 0.00000 -1.61711 0.00000
175 9PX 0.00000 0.00000 0.39935 0.00000 0.12659
176 9PY 0.57151 0.73332 0.00000 0.07404 0.00000
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379 13F-1 0.11789 -0.02264 -0.07494 0.12250 0.04888
380 13F+2 0.04002 -0.07764 0.20412 -0.16445 -0.26484
381 13F-2 -0.06931 0.13448 -0.40014 0.20412 -0.15291
382 13F+3 0.00000 0.00000 -0.14821 -0.25671 -0.40916
383 13F-3 -0.12090 0.09778 -0.15126 0.08733 0.00000
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429 13F-3 -0.12090 0.09778 0.15126 0.08733 0.00000
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435 14F+3 0.00000 0.00000 0.04578 -0.07929 0.08441
436 14F-3 -0.00148 0.07998 -0.03074 -0.01774 0.00000
426 427 428 429 430
(EU)--V (EU)--V (A2G)--V (EG)--V (EG)--V
Eigenvalues -- 11.42604 11.42604 11.48382 13.30178 13.30178
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30 13D+2 0.00000 0.85036 0.00000 0.00000 3.73872
31 13D-2 0.85036 0.00000 0.00000 -3.73872 0.00000
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35 14D+2 0.00000 0.14368 0.00000 0.00000 5.37067
36 14D-2 0.14368 0.00000 0.00000 -5.37067 0.00000
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234 12D 0 -0.00335 0.00581 -0.26872 -0.20921 -0.10973
235 12D+1 -0.20870 0.29969 -0.14783 -0.25704 -0.28059
236 12D-1 -0.05870 0.20870 -0.08535 -0.14840 -0.16200
237 12D+2 0.34211 0.24949 0.13745 0.13909 0.13282
238 12D-2 -0.24949 -0.05402 0.23808 0.24092 0.23004
239 13F 0 -0.11698 0.20262 -0.07877 -0.04680 0.13259
240 13F+1 0.06698 -0.17356 -0.06312 -0.04438 -0.02853
241 13F-1 0.09621 -0.06698 -0.03644 -0.02562 -0.01647
242 13F+2 0.01819 -0.10503 0.04516 0.01170 -0.09811
243 13F-2 0.10503 -0.13946 0.07822 0.02027 -0.16994
244 13F+3 0.13638 0.07874 0.00000 0.00000 0.00000
245 13F-3 -0.15738 0.27259 -0.11432 -0.06570 0.16360
246 14F 0 0.03678 -0.06370 0.03141 0.01350 0.03324
247 14F+1 0.00041 -0.07613 -0.05185 -0.05479 -0.03386
248 14F-1 0.07566 -0.00041 -0.02994 -0.03163 -0.01955
249 14F+2 -0.05313 0.01947 -0.05057 -0.11130 -0.06232
250 14F-2 -0.01947 0.07562 -0.08759 -0.19277 -0.10795
251 14F+3 0.12408 0.07164 0.00000 0.00000 0.00000
252 14F-3 0.02801 -0.04851 0.02448 0.03098 0.05874
253 5 H 1S 0.54700 0.94742 0.83202 0.95418 0.04909
254 2S -2.39002 -4.13963 -5.77042 -7.97583 -2.82580
255 3S -6.87224 -11.90306 -8.77698 -13.67295 -1.28191
256 4S -5.30620 -9.19061 -3.68840 -5.57706 -0.74783
257 5S -0.13363 -0.23145 -0.10104 0.13789 0.28450
258 6PX -0.10594 -0.36944 0.02470 0.05782 0.18125
259 6PY 0.24711 0.10594 -0.01426 -0.03338 -0.10464
260 6PZ -0.00609 -0.01055 -0.08939 -0.04406 0.07088
261 7PX 1.41041 3.21276 2.15317 2.74061 0.21200
262 7PY -1.58415 -1.41041 -1.24313 -1.58229 -0.12240
263 7PZ 0.39522 0.68454 1.37097 1.57346 0.15978
264 8PX 1.25750 3.63568 0.79924 1.65792 -0.69530
265 8PY -2.18364 -1.25750 -0.46144 -0.95720 0.40143
266 8PZ 0.16774 0.29053 1.23880 1.73058 -0.53206
267 9PX 0.16737 1.31907 0.30199 0.66670 -0.06672
268 9PY -1.12581 -0.16737 -0.17435 -0.38492 0.03852
269 9PZ 0.13038 0.22582 0.07876 0.42074 -0.20161
270 10D 0 0.11699 0.20264 0.14745 0.16278 0.00281
271 10D+1 -0.13600 -0.23861 -0.28730 -0.27238 0.00108
272 10D-1 0.08157 0.13600 0.16587 0.15726 -0.00062
273 10D+2 -0.12575 -0.23592 -0.19227 -0.19238 0.00157
274 10D-2 0.23592 0.39818 0.33302 0.33321 -0.00273
275 11D 0 0.48017 0.83168 -0.23036 -0.16689 -0.21528
276 11D+1 -0.12680 -0.38308 -0.27827 -0.18561 0.41825
277 11D-1 0.23667 0.12680 0.16066 0.10716 -0.24148
278 11D+2 0.27391 -0.78599 -0.06850 -0.05423 0.25310
279 11D-2 0.78599 0.63367 0.11864 0.09394 -0.43838
280 12D 0 -0.00335 -0.00581 -0.26872 -0.20921 -0.10973
281 12D+1 0.20870 0.29969 0.14783 0.25704 0.28059
282 12D-1 -0.05870 -0.20870 -0.08535 -0.14840 -0.16200
283 12D+2 0.34211 -0.24949 0.13745 0.13909 0.13282
284 12D-2 0.24949 -0.05402 -0.23808 -0.24092 -0.23004
285 13F 0 -0.11698 -0.20262 -0.07877 -0.04680 0.13259
286 13F+1 -0.06698 -0.17356 0.06312 0.04438 0.02853
287 13F-1 0.09621 0.06698 -0.03644 -0.02562 -0.01647
288 13F+2 0.01819 0.10503 0.04516 0.01170 -0.09811
289 13F-2 -0.10503 -0.13946 -0.07822 -0.02027 0.16994
290 13F+3 -0.13638 0.07874 0.00000 0.00000 0.00000
291 13F-3 -0.15738 -0.27259 -0.11432 -0.06570 0.16360
292 14F 0 0.03678 0.06370 0.03141 0.01350 0.03324
293 14F+1 -0.00041 -0.07613 0.05185 0.05479 0.03386
294 14F-1 0.07566 0.00041 -0.02994 -0.03163 -0.01955
295 14F+2 -0.05313 -0.01947 -0.05057 -0.11130 -0.06232
296 14F-2 0.01947 0.07562 0.08759 0.19277 0.10795
297 14F+3 -0.12408 0.07164 0.00000 0.00000 0.00000
298 14F-3 0.02801 0.04851 0.02448 0.03098 0.05874
299 6 H 1S 1.09399 0.00000 0.83202 -0.95418 -0.04909
300 2S -4.78004 0.00000 -5.77042 7.97583 2.82580
301 3S -13.74447 0.00000 -8.77698 13.67295 1.28191
302 4S -10.61240 0.00000 -3.68840 5.57706 0.74783
303 5S -0.26725 0.00000 -0.10104 -0.13789 -0.28450
304 6PX 0.00000 -0.18594 0.00000 0.00000 0.00000
305 6PY 0.43060 0.00000 -0.02853 0.06676 0.20929
306 6PZ 0.01218 0.00000 0.08939 -0.04406 0.07088
307 7PX 0.00000 0.76985 0.00000 0.00000 0.00000
308 7PY -4.02706 0.00000 -2.48627 3.16458 0.24480
309 7PZ -0.79044 0.00000 -1.37097 1.57346 0.15978
310 8PX 0.00000 1.45763 0.00000 0.00000 0.00000
311 8PY -4.36169 0.00000 -0.92288 1.91440 -0.80286
312 8PZ -0.33548 0.00000 -1.23880 1.73058 -0.53206
313 9PX 0.00000 1.02918 0.00000 0.00000 0.00000
314 9PY -1.41571 0.00000 -0.34871 0.76983 -0.07705
315 9PZ -0.26076 0.00000 -0.07876 0.42074 -0.20161
316 10D 0 0.23398 0.00000 0.14745 -0.16278 -0.00281
317 10D+1 0.00000 0.00306 0.00000 0.00000 0.00000
318 10D-1 -0.31712 0.00000 -0.33175 0.31452 -0.00124
319 10D+2 0.53439 0.00000 0.38454 -0.38476 0.00315
320 10D-2 0.00000 0.01046 0.00000 0.00000 0.00000
321 11D 0 0.96034 0.00000 -0.23036 0.16689 0.21528
322 11D+1 0.00000 0.16346 0.00000 0.00000 0.00000
323 11D-1 -0.45629 0.00000 -0.32132 0.21433 -0.48296
324 11D+2 1.08746 0.00000 0.13700 -0.10847 0.50619
325 11D-2 0.00000 0.72770 0.00000 0.00000 0.00000
326 12D 0 -0.00671 0.00000 -0.26872 0.20921 0.10973
327 12D+1 0.00000 0.06180 0.00000 0.00000 0.00000
328 12D-1 0.42018 0.00000 0.17070 -0.29681 -0.32400
329 12D+2 0.09003 0.00000 -0.27491 0.27819 0.26563
330 12D-2 0.00000 0.48615 0.00000 0.00000 0.00000
331 13F 0 0.23396 0.00000 0.07877 -0.04680 0.13259
332 13F+1 0.00000 -0.05754 0.00000 0.00000 0.00000
333 13F-1 0.21223 0.00000 -0.07289 0.05125 0.03295
334 13F+2 0.20010 0.00000 0.09032 -0.02341 0.19623
335 13F-2 0.00000 0.04245 0.00000 0.00000 0.00000
336 13F+3 0.00000 -0.15748 0.00000 0.00000 0.00000
337 13F-3 0.31476 0.00000 0.11432 -0.06570 0.16360
338 14F 0 -0.07356 0.00000 -0.03141 0.01350 0.03324
339 14F+1 0.00000 -0.07542 0.00000 0.00000 0.00000
340 14F-1 0.07637 0.00000 -0.05987 0.06327 0.03910
341 14F+2 -0.08686 0.00000 -0.10114 0.22260 0.12464
342 14F-2 0.00000 0.04189 0.00000 0.00000 0.00000
343 14F+3 0.00000 -0.14327 0.00000 0.00000 0.00000
344 14F-3 -0.05602 0.00000 -0.02448 0.03098 0.05874
345 7 H 1S -0.54700 -0.94742 0.83202 -0.95418 -0.04909
346 2S 2.39002 4.13963 -5.77042 7.97583 2.82580
347 3S 6.87224 11.90306 -8.77698 13.67295 1.28191
348 4S 5.30620 9.19061 -3.68840 5.57706 0.74783
349 5S 0.13363 0.23145 -0.10104 -0.13789 -0.28450
350 6PX -0.10594 -0.36944 -0.02470 0.05782 0.18125
351 6PY 0.24711 0.10594 0.01426 -0.03338 -0.10464
352 6PZ -0.00609 -0.01055 0.08939 -0.04406 0.07088
353 7PX 1.41041 3.21276 -2.15317 2.74061 0.21200
354 7PY -1.58415 -1.41041 1.24313 -1.58229 -0.12240
355 7PZ 0.39522 0.68454 -1.37097 1.57346 0.15978
356 8PX 1.25750 3.63568 -0.79924 1.65792 -0.69530
357 8PY -2.18364 -1.25750 0.46144 -0.95720 0.40143
358 8PZ 0.16774 0.29053 -1.23880 1.73058 -0.53206
359 9PX 0.16737 1.31907 -0.30199 0.66670 -0.06672
360 9PY -1.12581 -0.16737 0.17435 -0.38492 0.03852
361 9PZ 0.13038 0.22582 -0.07876 0.42074 -0.20161
362 10D 0 -0.11699 -0.20264 0.14745 -0.16278 -0.00281
363 10D+1 0.13600 0.23861 -0.28730 0.27238 -0.00108
364 10D-1 -0.08157 -0.13600 0.16587 -0.15726 0.00062
365 10D+2 0.12575 0.23592 -0.19227 0.19238 -0.00157
366 10D-2 -0.23592 -0.39818 0.33302 -0.33321 0.00273
367 11D 0 -0.48017 -0.83168 -0.23036 0.16689 0.21528
368 11D+1 0.12680 0.38308 -0.27827 0.18561 -0.41825
369 11D-1 -0.23667 -0.12680 0.16066 -0.10716 0.24148
370 11D+2 -0.27391 0.78599 -0.06850 0.05423 -0.25310
371 11D-2 -0.78599 -0.63367 0.11864 -0.09394 0.43838
372 12D 0 0.00335 0.00581 -0.26872 0.20921 0.10973
373 12D+1 -0.20870 -0.29969 0.14783 -0.25704 -0.28059
374 12D-1 0.05870 0.20870 -0.08535 0.14840 0.16200
375 12D+2 -0.34211 0.24949 0.13745 -0.13909 -0.13282
376 12D-2 -0.24949 0.05402 -0.23808 0.24092 0.23004
377 13F 0 -0.11698 -0.20262 0.07877 -0.04680 0.13259
378 13F+1 -0.06698 -0.17356 -0.06312 0.04438 0.02853
379 13F-1 0.09621 0.06698 0.03644 -0.02562 -0.01647
380 13F+2 0.01819 0.10503 -0.04516 0.01170 -0.09811
381 13F-2 -0.10503 -0.13946 0.07822 -0.02027 0.16994
382 13F+3 -0.13638 0.07874 0.00000 0.00000 0.00000
383 13F-3 -0.15738 -0.27259 0.11432 -0.06570 0.16360
384 14F 0 0.03678 0.06370 -0.03141 0.01350 0.03324
385 14F+1 -0.00041 -0.07613 -0.05185 0.05479 0.03386
386 14F-1 0.07566 0.00041 0.02994 -0.03163 -0.01955
387 14F+2 -0.05313 -0.01947 0.05057 -0.11130 -0.06232
388 14F-2 0.01947 0.07562 -0.08759 0.19277 0.10795
389 14F+3 -0.12408 0.07164 0.00000 0.00000 0.00000
390 14F-3 0.02801 0.04851 -0.02448 0.03098 0.05874
391 8 H 1S -0.54700 0.94742 0.83202 -0.95418 -0.04909
392 2S 2.39002 -4.13963 -5.77042 7.97583 2.82580
393 3S 6.87224 -11.90306 -8.77698 13.67295 1.28191
394 4S 5.30620 -9.19061 -3.68840 5.57706 0.74783
395 5S 0.13363 -0.23145 -0.10104 -0.13789 -0.28450
396 6PX 0.10594 -0.36944 0.02470 -0.05782 -0.18125
397 6PY 0.24711 -0.10594 0.01426 -0.03338 -0.10464
398 6PZ -0.00609 0.01055 0.08939 -0.04406 0.07088
399 7PX -1.41041 3.21276 2.15317 -2.74061 -0.21200
400 7PY -1.58415 1.41041 1.24313 -1.58229 -0.12240
401 7PZ 0.39522 -0.68454 -1.37097 1.57346 0.15978
402 8PX -1.25750 3.63568 0.79924 -1.65792 0.69530
403 8PY -2.18364 1.25750 0.46144 -0.95720 0.40143
404 8PZ 0.16774 -0.29053 -1.23880 1.73058 -0.53206
405 9PX -0.16737 1.31907 0.30199 -0.66670 0.06672
406 9PY -1.12581 0.16737 0.17435 -0.38492 0.03852
407 9PZ 0.13038 -0.22582 -0.07876 0.42074 -0.20161
408 10D 0 -0.11699 0.20264 0.14745 -0.16278 -0.00281
409 10D+1 -0.13600 0.23861 0.28730 -0.27238 0.00108
410 10D-1 -0.08157 0.13600 0.16587 -0.15726 0.00062
411 10D+2 0.12575 -0.23592 -0.19227 0.19238 -0.00157
412 10D-2 0.23592 -0.39818 -0.33302 0.33321 -0.00273
413 11D 0 -0.48017 0.83168 -0.23036 0.16689 0.21528
414 11D+1 -0.12680 0.38308 0.27827 -0.18561 0.41825
415 11D-1 -0.23667 0.12680 0.16066 -0.10716 0.24148
416 11D+2 -0.27391 -0.78599 -0.06850 0.05423 -0.25310
417 11D-2 0.78599 -0.63367 -0.11864 0.09394 -0.43838
418 12D 0 0.00335 -0.00581 -0.26872 0.20921 0.10973
419 12D+1 0.20870 -0.29969 -0.14783 0.25704 0.28059
420 12D-1 0.05870 -0.20870 -0.08535 0.14840 0.16200
421 12D+2 -0.34211 -0.24949 0.13745 -0.13909 -0.13282
422 12D-2 0.24949 0.05402 0.23808 -0.24092 -0.23004
423 13F 0 -0.11698 0.20262 0.07877 -0.04680 0.13259
424 13F+1 0.06698 -0.17356 0.06312 -0.04438 -0.02853
425 13F-1 0.09621 -0.06698 0.03644 -0.02562 -0.01647
426 13F+2 0.01819 -0.10503 -0.04516 0.01170 -0.09811
427 13F-2 0.10503 -0.13946 -0.07822 0.02027 -0.16994
428 13F+3 0.13638 0.07874 0.00000 0.00000 0.00000
429 13F-3 -0.15738 0.27259 0.11432 -0.06570 0.16360
430 14F 0 0.03678 -0.06370 -0.03141 0.01350 0.03324
431 14F+1 0.00041 -0.07613 0.05185 -0.05479 -0.03386
432 14F-1 0.07566 -0.00041 0.02994 -0.03163 -0.01955
433 14F+2 -0.05313 0.01947 0.05057 -0.11130 -0.06232
434 14F-2 -0.01947 0.07562 0.08759 -0.19277 -0.10795
435 14F+3 0.12408 0.07164 0.00000 0.00000 0.00000
436 14F-3 0.02801 -0.04851 -0.02448 0.03098 0.05874
436
(A1G)--V
Eigenvalues -- 28.90438
1 1 C 1S 1.74846
2 2S 3.04131
3 3S 6.98887
4 4S -2.08567
5 5S -1.60717
6 6S -0.16425
7 7PX 0.00000
8 7PY 0.00000
9 7PZ 0.00402
10 8PX 0.00000
11 8PY 0.00000
12 8PZ 0.45791
13 9PX 0.00000
14 9PY 0.00000
15 9PZ -0.61867
16 10PX 0.00000
17 10PY 0.00000
18 10PZ -1.26612
19 11PX 0.00000
20 11PY 0.00000
21 11PZ -0.10412
22 12D 0 -0.14543
23 12D+1 0.00000
24 12D-1 0.00000
25 12D+2 0.00000
26 12D-2 0.00000
27 13D 0 0.45224
28 13D+1 0.00000
29 13D-1 0.00000
30 13D+2 0.00000
31 13D-2 0.00000
32 14D 0 1.08488
33 14D+1 0.00000
34 14D-1 0.00000
35 14D+2 0.00000
36 14D-2 0.00000
37 15D 0 0.17039
38 15D+1 0.00000
39 15D-1 0.00000
40 15D+2 0.00000
41 15D-2 0.00000
42 16F 0 -0.33801
43 16F+1 0.00000
44 16F-1 0.00000
45 16F+2 0.00000
46 16F-2 0.00000
47 16F+3 0.00000
48 16F-3 -0.30939
49 17F 0 1.41203
50 17F+1 0.00000
51 17F-1 0.00000
52 17F+2 0.00000
53 17F-2 0.00000
54 17F+3 0.00000
55 17F-3 1.78376
56 18F 0 0.09514
57 18F+1 0.00000
58 18F-1 0.00000
59 18F+2 0.00000
60 18F-2 0.00000
61 18F+3 0.00000
62 18F-3 0.53619
63 19G 0 -0.09478
64 19G+1 0.00000
65 19G-1 0.00000
66 19G+2 0.00000
67 19G-2 0.00000
68 19G+3 0.00000
69 19G-3 0.10657
70 19G+4 0.00000
71 19G-4 0.00000
72 20G 0 -0.20521
73 20G+1 0.00000
74 20G-1 0.00000
75 20G+2 0.00000
76 20G-2 0.00000
77 20G+3 0.00000
78 20G-3 0.94664
79 20G+4 0.00000
80 20G-4 0.00000
81 2 C 1S 1.74846
82 2S 3.04131
83 3S 6.98887
84 4S -2.08567
85 5S -1.60717
86 6S -0.16425
87 7PX 0.00000
88 7PY 0.00000
89 7PZ -0.00402
90 8PX 0.00000
91 8PY 0.00000
92 8PZ -0.45791
93 9PX 0.00000
94 9PY 0.00000
95 9PZ 0.61867
96 10PX 0.00000
97 10PY 0.00000
98 10PZ 1.26612
99 11PX 0.00000
100 11PY 0.00000
101 11PZ 0.10412
102 12D 0 -0.14543
103 12D+1 0.00000
104 12D-1 0.00000
105 12D+2 0.00000
106 12D-2 0.00000
107 13D 0 0.45224
108 13D+1 0.00000
109 13D-1 0.00000
110 13D+2 0.00000
111 13D-2 0.00000
112 14D 0 1.08488
113 14D+1 0.00000
114 14D-1 0.00000
115 14D+2 0.00000
116 14D-2 0.00000
117 15D 0 0.17039
118 15D+1 0.00000
119 15D-1 0.00000
120 15D+2 0.00000
121 15D-2 0.00000
122 16F 0 0.33801
123 16F+1 0.00000
124 16F-1 0.00000
125 16F+2 0.00000
126 16F-2 0.00000
127 16F+3 0.00000
128 16F-3 0.30939
129 17F 0 -1.41203
130 17F+1 0.00000
131 17F-1 0.00000
132 17F+2 0.00000
133 17F-2 0.00000
134 17F+3 0.00000
135 17F-3 -1.78376
136 18F 0 -0.09514
137 18F+1 0.00000
138 18F-1 0.00000
139 18F+2 0.00000
140 18F-2 0.00000
141 18F+3 0.00000
142 18F-3 -0.53619
143 19G 0 -0.09478
144 19G+1 0.00000
145 19G-1 0.00000
146 19G+2 0.00000
147 19G-2 0.00000
148 19G+3 0.00000
149 19G-3 0.10657
150 19G+4 0.00000
151 19G-4 0.00000
152 20G 0 -0.20521
153 20G+1 0.00000
154 20G-1 0.00000
155 20G+2 0.00000
156 20G-2 0.00000
157 20G+3 0.00000
158 20G-3 0.94664
159 20G+4 0.00000
160 20G-4 0.00000
161 3 H 1S -0.01858
162 2S 2.19763
163 3S -0.25627
164 4S 0.10304
165 5S -0.00282
166 6PX 0.00000
167 6PY -0.21139
168 6PZ -0.07354
169 7PX 0.00000
170 7PY 0.03470
171 7PZ -0.06145
172 8PX 0.00000
173 8PY 1.27421
174 8PZ 0.33662
175 9PX 0.00000
176 9PY 0.21600
177 9PZ 0.17333
178 10D 0 0.01425
179 10D+1 0.00000
180 10D-1 0.00912
181 10D+2 0.01655
182 10D-2 0.00000
183 11D 0 0.28547
184 11D+1 0.00000
185 11D-1 -0.36830
186 11D+2 0.51642
187 11D-2 0.00000
188 12D 0 0.15073
189 12D+1 0.00000
190 12D-1 -0.19806
191 12D+2 0.23410
192 12D-2 0.00000
193 13F 0 -0.09519
194 13F+1 0.00000
195 13F-1 -0.08056
196 13F+2 -0.15558
197 13F-2 0.00000
198 13F+3 0.00000
199 13F-3 -0.16085
200 14F 0 -0.01678
201 14F+1 0.00000
202 14F-1 -0.04394
203 14F+2 -0.08029
204 14F-2 0.00000
205 14F+3 0.00000
206 14F-3 -0.02618
207 4 H 1S -0.01858
208 2S 2.19763
209 3S -0.25627
210 4S 0.10304
211 5S -0.00282
212 6PX 0.18307
213 6PY 0.10570
214 6PZ -0.07354
215 7PX -0.03005
216 7PY -0.01735
217 7PZ -0.06145
218 8PX -1.10350
219 8PY -0.63711
220 8PZ 0.33662
221 9PX -0.18706
222 9PY -0.10800
223 9PZ 0.17333
224 10D 0 0.01425
225 10D+1 -0.00790
226 10D-1 -0.00456
227 10D+2 -0.00827
228 10D-2 -0.01433
229 11D 0 0.28547
230 11D+1 0.31896
231 11D-1 0.18415
232 11D+2 -0.25821
233 11D-2 -0.44723
234 12D 0 0.15073
235 12D+1 0.17152
236 12D-1 0.09903
237 12D+2 -0.11705
238 12D-2 -0.20273
239 13F 0 -0.09519
240 13F+1 0.06977
241 13F-1 0.04028
242 13F+2 0.07779
243 13F-2 0.13474
244 13F+3 0.00000
245 13F-3 -0.16085
246 14F 0 -0.01678
247 14F+1 0.03805
248 14F-1 0.02197
249 14F+2 0.04014
250 14F-2 0.06953
251 14F+3 0.00000
252 14F-3 -0.02618
253 5 H 1S -0.01858
254 2S 2.19763
255 3S -0.25627
256 4S 0.10304
257 5S -0.00282
258 6PX -0.18307
259 6PY 0.10570
260 6PZ -0.07354
261 7PX 0.03005
262 7PY -0.01735
263 7PZ -0.06145
264 8PX 1.10350
265 8PY -0.63711
266 8PZ 0.33662
267 9PX 0.18706
268 9PY -0.10800
269 9PZ 0.17333
270 10D 0 0.01425
271 10D+1 0.00790
272 10D-1 -0.00456
273 10D+2 -0.00827
274 10D-2 0.01433
275 11D 0 0.28547
276 11D+1 -0.31896
277 11D-1 0.18415
278 11D+2 -0.25821
279 11D-2 0.44723
280 12D 0 0.15073
281 12D+1 -0.17152
282 12D-1 0.09903
283 12D+2 -0.11705
284 12D-2 0.20273
285 13F 0 -0.09519
286 13F+1 -0.06977
287 13F-1 0.04028
288 13F+2 0.07779
289 13F-2 -0.13474
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293 14F+1 -0.03805
294 14F-1 0.02197
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296 14F-2 -0.06953
297 14F+3 0.00000
298 14F-3 -0.02618
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300 2S 2.19763
301 3S -0.25627
302 4S 0.10304
303 5S -0.00282
304 6PX 0.00000
305 6PY 0.21139
306 6PZ 0.07354
307 7PX 0.00000
308 7PY -0.03470
309 7PZ 0.06145
310 8PX 0.00000
311 8PY -1.27421
312 8PZ -0.33662
313 9PX 0.00000
314 9PY -0.21600
315 9PZ -0.17333
316 10D 0 0.01425
317 10D+1 0.00000
318 10D-1 0.00912
319 10D+2 0.01655
320 10D-2 0.00000
321 11D 0 0.28547
322 11D+1 0.00000
323 11D-1 -0.36830
324 11D+2 0.51642
325 11D-2 0.00000
326 12D 0 0.15073
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328 12D-1 -0.19806
329 12D+2 0.23410
330 12D-2 0.00000
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334 13F+2 0.15558
335 13F-2 0.00000
336 13F+3 0.00000
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338 14F 0 0.01678
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341 14F+2 0.08029
342 14F-2 0.00000
343 14F+3 0.00000
344 14F-3 0.02618
345 7 H 1S -0.01858
346 2S 2.19763
347 3S -0.25627
348 4S 0.10304
349 5S -0.00282
350 6PX 0.18307
351 6PY -0.10570
352 6PZ 0.07354
353 7PX -0.03005
354 7PY 0.01735
355 7PZ 0.06145
356 8PX -1.10350
357 8PY 0.63711
358 8PZ -0.33662
359 9PX -0.18706
360 9PY 0.10800
361 9PZ -0.17333
362 10D 0 0.01425
363 10D+1 0.00790
364 10D-1 -0.00456
365 10D+2 -0.00827
366 10D-2 0.01433
367 11D 0 0.28547
368 11D+1 -0.31896
369 11D-1 0.18415
370 11D+2 -0.25821
371 11D-2 0.44723
372 12D 0 0.15073
373 12D+1 -0.17152
374 12D-1 0.09903
375 12D+2 -0.11705
376 12D-2 0.20273
377 13F 0 0.09519
378 13F+1 0.06977
379 13F-1 -0.04028
380 13F+2 -0.07779
381 13F-2 0.13474
382 13F+3 0.00000
383 13F-3 0.16085
384 14F 0 0.01678
385 14F+1 0.03805
386 14F-1 -0.02197
387 14F+2 -0.04014
388 14F-2 0.06953
389 14F+3 0.00000
390 14F-3 0.02618
391 8 H 1S -0.01858
392 2S 2.19763
393 3S -0.25627
394 4S 0.10304
395 5S -0.00282
396 6PX -0.18307
397 6PY -0.10570
398 6PZ 0.07354
399 7PX 0.03005
400 7PY 0.01735
401 7PZ 0.06145
402 8PX 1.10350
403 8PY 0.63711
404 8PZ -0.33662
405 9PX 0.18706
406 9PY 0.10800
407 9PZ -0.17333
408 10D 0 0.01425
409 10D+1 -0.00790
410 10D-1 -0.00456
411 10D+2 -0.00827
412 10D-2 -0.01433
413 11D 0 0.28547
414 11D+1 0.31896
415 11D-1 0.18415
416 11D+2 -0.25821
417 11D-2 -0.44723
418 12D 0 0.15073
419 12D+1 0.17152
420 12D-1 0.09903
421 12D+2 -0.11705
422 12D-2 -0.20273
423 13F 0 0.09519
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427 13F-2 -0.13474
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430 14F 0 0.01678
431 14F+1 -0.03805
432 14F-1 -0.02197
433 14F+2 -0.04014
434 14F-2 -0.06953
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Alpha Density Matrix:
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2 2S -0.27515 0.19798
3 3S -0.00755 0.02489 0.03537
4 4S -0.05577 0.08176 0.07931 0.18180
5 5S -0.01324 0.01938 0.01881 0.04345 0.01180
6 6S 0.00262 -0.00448 -0.00494 -0.01143 -0.00209
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8 7PY 0.00000 0.00000 0.00000 0.00000 0.00000
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10 8PX 0.00000 0.00000 0.00000 0.00000 0.00000
11 8PY 0.00000 0.00000 0.00000 0.00000 0.00000
12 8PZ -0.00035 0.00051 0.00117 0.00586 0.00543
13 9PX 0.00000 0.00000 0.00000 0.00000 0.00000
14 9PY 0.00000 0.00000 0.00000 0.00000 0.00000
15 9PZ -0.00120 0.00162 0.00226 0.00907 0.00722
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18 10PZ -0.00384 0.00482 0.00448 0.01254 0.00557
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21 11PZ -0.00069 0.00107 0.00114 0.00280 0.00077
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55 17F-3 0.00091 -0.00143 -0.00147 -0.00334 -0.00078
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82 2S -0.00281 0.00437 0.00400 0.00873 0.00681
83 3S -0.00252 0.00400 0.00373 0.00767 0.00602
84 4S -0.00589 0.00873 0.00767 0.01595 0.01391
85 5S -0.00503 0.00681 0.00602 0.01391 0.00654
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135 17F-3 -0.00024 0.00028 0.00020 0.00042 0.00026
136 18F 0 0.00003 0.00022 0.00041 0.00084 0.00009
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143 19G 0 -0.00005 0.00010 0.00012 0.00025 0.00003
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160 20G-4 0.00000 0.00000 0.00000 0.00000 0.00000
161 3 H 1S -0.00348 0.00562 0.00594 0.01388 0.00372
162 2S -0.00809 0.01312 0.01394 0.03267 0.00889
163 3S -0.00633 0.01187 0.01385 0.03246 0.00900
164 4S 0.00152 -0.00151 -0.00082 -0.00167 0.00019
165 5S 0.00026 -0.00040 -0.00040 -0.00092 -0.00016
166 6PX 0.00000 0.00000 0.00000 0.00000 0.00000
167 6PY 0.00035 -0.00057 -0.00060 -0.00140 -0.00037
168 6PZ 0.00014 -0.00023 -0.00024 -0.00053 -0.00010
169 7PX 0.00000 0.00000 0.00000 0.00000 0.00000
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172 8PX 0.00000 0.00000 0.00000 0.00000 0.00000
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175 9PX 0.00000 0.00000 0.00000 0.00000 0.00000
176 9PY -0.00053 0.00067 0.00057 0.00136 0.00035
177 9PZ -0.00052 0.00072 0.00066 0.00148 0.00025
178 10D 0 0.00001 -0.00003 -0.00004 -0.00010 -0.00003
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207 4 H 1S -0.00348 0.00562 0.00594 0.01388 0.00372
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210 4S 0.00152 -0.00151 -0.00082 -0.00167 0.00019
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435 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
436 14F-3 0.00000 0.00000 0.00000 0.00000 0.00000
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426 13F+2 0.00000 0.00000 0.00000 0.00000 0.00000
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428 13F+3 0.00000 0.00000 0.00000
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436 14F-3 0.00000 0.00000 0.00000 0.00000 0.00000
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435 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
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436
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Beta Density Matrix:
1 2 3 4 5
1 1 C 1S 0.40509
2 2S -0.27515 0.19798
3 3S -0.00755 0.02489 0.03537
4 4S -0.05577 0.08176 0.07931 0.18180
5 5S -0.01324 0.01938 0.01881 0.04345 0.01180
6 6S 0.00262 -0.00448 -0.00494 -0.01143 -0.00209
7 7PX 0.00000 0.00000 0.00000 0.00000 0.00000
8 7PY 0.00000 0.00000 0.00000 0.00000 0.00000
9 7PZ -0.00011 0.00013 0.00046 0.00273 0.00275
10 8PX 0.00000 0.00000 0.00000 0.00000 0.00000
11 8PY 0.00000 0.00000 0.00000 0.00000 0.00000
12 8PZ -0.00035 0.00051 0.00117 0.00586 0.00543
13 9PX 0.00000 0.00000 0.00000 0.00000 0.00000
14 9PY 0.00000 0.00000 0.00000 0.00000 0.00000
15 9PZ -0.00120 0.00162 0.00226 0.00907 0.00722
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17 10PY 0.00000 0.00000 0.00000 0.00000 0.00000
18 10PZ -0.00384 0.00482 0.00448 0.01254 0.00557
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20 11PY 0.00000 0.00000 0.00000 0.00000 0.00000
21 11PZ -0.00069 0.00107 0.00114 0.00280 0.00077
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26 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000
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31 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000
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48 16F-3 0.00018 -0.00036 -0.00043 -0.00100 -0.00026
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54 17F+3 0.00000 0.00000 0.00000 0.00000 0.00000
55 17F-3 0.00091 -0.00143 -0.00147 -0.00334 -0.00078
56 18F 0 0.00035 -0.00035 -0.00020 -0.00040 -0.00001
57 18F+1 0.00000 0.00000 0.00000 0.00000 0.00000
58 18F-1 0.00000 0.00000 0.00000 0.00000 0.00000
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60 18F-2 0.00000 0.00000 0.00000 0.00000 0.00000
61 18F+3 0.00000 0.00000 0.00000 0.00000 0.00000
62 18F-3 -0.00030 0.00026 0.00009 0.00014 -0.00008
63 19G 0 -0.00004 0.00009 0.00010 0.00020 0.00002
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67 19G-2 0.00000 0.00000 0.00000 0.00000 0.00000
68 19G+3 0.00000 0.00000 0.00000 0.00000 0.00000
69 19G-3 0.00012 -0.00022 -0.00025 -0.00057 -0.00015
70 19G+4 0.00000 0.00000 0.00000 0.00000 0.00000
71 19G-4 0.00000 0.00000 0.00000 0.00000 0.00000
72 20G 0 -0.00008 0.00018 0.00022 0.00045 0.00005
73 20G+1 0.00000 0.00000 0.00000 0.00000 0.00000
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75 20G+2 0.00000 0.00000 0.00000 0.00000 0.00000
76 20G-2 0.00000 0.00000 0.00000 0.00000 0.00000
77 20G+3 0.00000 0.00000 0.00000 0.00000 0.00000
78 20G-3 0.00002 -0.00005 -0.00007 -0.00013 -0.00002
79 20G+4 0.00000 0.00000 0.00000 0.00000 0.00000
80 20G-4 0.00000 0.00000 0.00000 0.00000 0.00000
81 2 C 1S 0.00180 -0.00281 -0.00252 -0.00589 -0.00503
82 2S -0.00281 0.00437 0.00400 0.00873 0.00681
83 3S -0.00252 0.00400 0.00373 0.00767 0.00602
84 4S -0.00589 0.00873 0.00767 0.01595 0.01391
85 5S -0.00503 0.00681 0.00602 0.01391 0.00654
86 6S -0.00320 0.00527 0.00563 0.01288 0.00225
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101 11PZ -0.00099 0.00162 0.00170 0.00374 0.00040
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106 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000
107 13D 0 -0.00116 0.00191 0.00199 0.00428 0.00041
108 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000
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110 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000
111 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000
112 14D 0 -0.00117 0.00273 0.00338 0.00709 0.00047
113 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000
114 14D-1 0.00000 0.00000 0.00000 0.00000 0.00000
115 14D+2 0.00000 0.00000 0.00000 0.00000 0.00000
116 14D-2 0.00000 0.00000 0.00000 0.00000 0.00000
117 15D 0 -0.00078 0.00123 0.00123 0.00264 0.00012
118 15D+1 0.00000 0.00000 0.00000 0.00000 0.00000
119 15D-1 0.00000 0.00000 0.00000 0.00000 0.00000
120 15D+2 0.00000 0.00000 0.00000 0.00000 0.00000
121 15D-2 0.00000 0.00000 0.00000 0.00000 0.00000
122 16F 0 -0.00009 0.00015 0.00016 0.00035 0.00012
123 16F+1 0.00000 0.00000 0.00000 0.00000 0.00000
124 16F-1 0.00000 0.00000 0.00000 0.00000 0.00000
125 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000
126 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
127 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000
128 16F-3 0.00001 -0.00002 -0.00002 -0.00005 0.00007
129 17F 0 -0.00072 0.00101 0.00091 0.00195 0.00048
130 17F+1 0.00000 0.00000 0.00000 0.00000 0.00000
131 17F-1 0.00000 0.00000 0.00000 0.00000 0.00000
132 17F+2 0.00000 0.00000 0.00000 0.00000 0.00000
133 17F-2 0.00000 0.00000 0.00000 0.00000 0.00000
134 17F+3 0.00000 0.00000 0.00000 0.00000 0.00000
135 17F-3 -0.00024 0.00028 0.00020 0.00042 0.00026
136 18F 0 0.00003 0.00022 0.00041 0.00084 0.00009
137 18F+1 0.00000 0.00000 0.00000 0.00000 0.00000
138 18F-1 0.00000 0.00000 0.00000 0.00000 0.00000
139 18F+2 0.00000 0.00000 0.00000 0.00000 0.00000
140 18F-2 0.00000 0.00000 0.00000 0.00000 0.00000
141 18F+3 0.00000 0.00000 0.00000 0.00000 0.00000
142 18F-3 0.00007 -0.00023 -0.00031 -0.00062 -0.00001
143 19G 0 -0.00005 0.00010 0.00012 0.00025 0.00003
144 19G+1 0.00000 0.00000 0.00000 0.00000 0.00000
145 19G-1 0.00000 0.00000 0.00000 0.00000 0.00000
146 19G+2 0.00000 0.00000 0.00000 0.00000 0.00000
147 19G-2 0.00000 0.00000 0.00000 0.00000 0.00000
148 19G+3 0.00000 0.00000 0.00000 0.00000 0.00000
149 19G-3 0.00001 0.00000 0.00000 0.00000 -0.00005
150 19G+4 0.00000 0.00000 0.00000 0.00000 0.00000
151 19G-4 0.00000 0.00000 0.00000 0.00000 0.00000
152 20G 0 -0.00023 0.00029 0.00023 0.00048 0.00005
153 20G+1 0.00000 0.00000 0.00000 0.00000 0.00000
154 20G-1 0.00000 0.00000 0.00000 0.00000 0.00000
155 20G+2 0.00000 0.00000 0.00000 0.00000 0.00000
156 20G-2 0.00000 0.00000 0.00000 0.00000 0.00000
157 20G+3 0.00000 0.00000 0.00000 0.00000 0.00000
158 20G-3 0.00019 -0.00021 -0.00015 -0.00034 -0.00006
159 20G+4 0.00000 0.00000 0.00000 0.00000 0.00000
160 20G-4 0.00000 0.00000 0.00000 0.00000 0.00000
161 3 H 1S -0.00348 0.00562 0.00594 0.01388 0.00372
162 2S -0.00809 0.01312 0.01394 0.03267 0.00889
163 3S -0.00633 0.01187 0.01385 0.03246 0.00900
164 4S 0.00152 -0.00151 -0.00082 -0.00167 0.00019
165 5S 0.00026 -0.00040 -0.00040 -0.00092 -0.00016
166 6PX 0.00000 0.00000 0.00000 0.00000 0.00000
167 6PY 0.00035 -0.00057 -0.00060 -0.00140 -0.00037
168 6PZ 0.00014 -0.00023 -0.00024 -0.00053 -0.00010
169 7PX 0.00000 0.00000 0.00000 0.00000 0.00000
170 7PY 0.00063 -0.00111 -0.00125 -0.00294 -0.00082
171 7PZ 0.00024 -0.00042 -0.00045 -0.00098 -0.00019
172 8PX 0.00000 0.00000 0.00000 0.00000 0.00000
173 8PY -0.00064 0.00022 -0.00039 -0.00087 -0.00027
174 8PZ -0.00013 0.00006 -0.00003 0.00008 0.00019
175 9PX 0.00000 0.00000 0.00000 0.00000 0.00000
176 9PY -0.00053 0.00067 0.00057 0.00136 0.00035
177 9PZ -0.00052 0.00072 0.00066 0.00148 0.00025
178 10D 0 0.00001 -0.00003 -0.00004 -0.00010 -0.00003
179 10D+1 0.00000 0.00000 0.00000 0.00000 0.00000
180 10D-1 -0.00003 0.00007 0.00008 0.00019 0.00004
181 10D+2 0.00003 -0.00008 -0.00010 -0.00023 -0.00007
182 10D-2 0.00000 0.00000 0.00000 0.00000 0.00000
183 11D 0 0.00007 -0.00010 -0.00011 -0.00027 -0.00008
184 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000
185 11D-1 -0.00006 0.00010 0.00011 0.00024 0.00005
186 11D+2 0.00014 -0.00022 -0.00024 -0.00057 -0.00016
187 11D-2 0.00000 0.00000 0.00000 0.00000 0.00000
188 12D 0 0.00011 -0.00014 -0.00012 -0.00028 -0.00005
189 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
190 12D-1 0.00011 -0.00013 -0.00011 -0.00027 -0.00009
191 12D+2 0.00008 -0.00007 -0.00003 -0.00007 0.00000
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193 13F 0 0.00001 0.00000 0.00001 0.00002 0.00001
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195 13F-1 0.00000 0.00001 0.00001 0.00003 0.00001
196 13F+2 0.00002 -0.00001 0.00001 0.00002 0.00000
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198 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
199 13F-3 0.00001 0.00000 0.00002 0.00004 0.00001
200 14F 0 -0.00010 0.00011 0.00007 0.00018 0.00004
201 14F+1 0.00000 0.00000 0.00000 0.00000 0.00000
202 14F-1 -0.00010 0.00011 0.00007 0.00017 0.00004
203 14F+2 -0.00013 0.00014 0.00010 0.00023 0.00005
204 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
205 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
206 14F-3 -0.00015 0.00017 0.00012 0.00029 0.00007
207 4 H 1S -0.00348 0.00562 0.00594 0.01388 0.00372
208 2S -0.00809 0.01312 0.01394 0.03267 0.00889
209 3S -0.00633 0.01187 0.01385 0.03246 0.00900
210 4S 0.00152 -0.00151 -0.00082 -0.00167 0.00019
211 5S 0.00026 -0.00040 -0.00040 -0.00092 -0.00016
212 6PX -0.00030 0.00049 0.00052 0.00122 0.00032
213 6PY -0.00017 0.00028 0.00030 0.00070 0.00018
214 6PZ 0.00014 -0.00023 -0.00024 -0.00053 -0.00010
215 7PX -0.00055 0.00096 0.00108 0.00254 0.00071
216 7PY -0.00032 0.00055 0.00062 0.00147 0.00041
217 7PZ 0.00024 -0.00042 -0.00045 -0.00098 -0.00019
218 8PX 0.00055 -0.00019 0.00034 0.00076 0.00023
219 8PY 0.00032 -0.00011 0.00019 0.00044 0.00013
220 8PZ -0.00013 0.00006 -0.00003 0.00008 0.00019
221 9PX 0.00046 -0.00058 -0.00050 -0.00118 -0.00030
222 9PY 0.00027 -0.00034 -0.00029 -0.00068 -0.00017
223 9PZ -0.00052 0.00072 0.00066 0.00148 0.00025
224 10D 0 0.00001 -0.00003 -0.00004 -0.00010 -0.00003
225 10D+1 0.00002 -0.00006 -0.00007 -0.00016 -0.00004
226 10D-1 0.00001 -0.00003 -0.00004 -0.00009 -0.00002
227 10D+2 -0.00001 0.00004 0.00005 0.00012 0.00003
228 10D-2 -0.00003 0.00007 0.00009 0.00020 0.00006
229 11D 0 0.00007 -0.00010 -0.00011 -0.00027 -0.00008
230 11D+1 0.00005 -0.00009 -0.00009 -0.00021 -0.00005
231 11D-1 0.00003 -0.00005 -0.00005 -0.00012 -0.00003
232 11D+2 -0.00007 0.00011 0.00012 0.00029 0.00008
233 11D-2 -0.00012 0.00019 0.00021 0.00049 0.00014
234 12D 0 0.00011 -0.00014 -0.00012 -0.00028 -0.00005
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236 12D-1 -0.00006 0.00007 0.00005 0.00013 0.00004
237 12D+2 -0.00004 0.00004 0.00002 0.00004 0.00000
238 12D-2 -0.00007 0.00006 0.00003 0.00006 0.00000
239 13F 0 0.00001 0.00000 0.00001 0.00002 0.00001
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242 13F+2 -0.00001 0.00001 0.00000 -0.00001 0.00000
243 13F-2 -0.00002 0.00001 -0.00001 -0.00001 0.00000
244 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
245 13F-3 0.00001 0.00000 0.00002 0.00004 0.00001
246 14F 0 -0.00010 0.00011 0.00007 0.00018 0.00004
247 14F+1 0.00009 -0.00009 -0.00006 -0.00014 -0.00003
248 14F-1 0.00005 -0.00005 -0.00003 -0.00008 -0.00002
249 14F+2 0.00006 -0.00007 -0.00005 -0.00012 -0.00003
250 14F-2 0.00011 -0.00012 -0.00009 -0.00020 -0.00005
251 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
252 14F-3 -0.00015 0.00017 0.00012 0.00029 0.00007
253 5 H 1S -0.00348 0.00562 0.00594 0.01388 0.00372
254 2S -0.00809 0.01312 0.01394 0.03267 0.00889
255 3S -0.00633 0.01187 0.01385 0.03246 0.00900
256 4S 0.00152 -0.00151 -0.00082 -0.00167 0.00019
257 5S 0.00026 -0.00040 -0.00040 -0.00092 -0.00016
258 6PX 0.00030 -0.00049 -0.00052 -0.00122 -0.00032
259 6PY -0.00017 0.00028 0.00030 0.00070 0.00018
260 6PZ 0.00014 -0.00023 -0.00024 -0.00053 -0.00010
261 7PX 0.00055 -0.00096 -0.00108 -0.00254 -0.00071
262 7PY -0.00032 0.00055 0.00062 0.00147 0.00041
263 7PZ 0.00024 -0.00042 -0.00045 -0.00098 -0.00019
264 8PX -0.00055 0.00019 -0.00034 -0.00076 -0.00023
265 8PY 0.00032 -0.00011 0.00019 0.00044 0.00013
266 8PZ -0.00013 0.00006 -0.00003 0.00008 0.00019
267 9PX -0.00046 0.00058 0.00050 0.00118 0.00030
268 9PY 0.00027 -0.00034 -0.00029 -0.00068 -0.00017
269 9PZ -0.00052 0.00072 0.00066 0.00148 0.00025
270 10D 0 0.00001 -0.00003 -0.00004 -0.00010 -0.00003
271 10D+1 -0.00002 0.00006 0.00007 0.00016 0.00004
272 10D-1 0.00001 -0.00003 -0.00004 -0.00009 -0.00002
273 10D+2 -0.00001 0.00004 0.00005 0.00012 0.00003
274 10D-2 0.00003 -0.00007 -0.00009 -0.00020 -0.00006
275 11D 0 0.00007 -0.00010 -0.00011 -0.00027 -0.00008
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436
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Gross orbital populations:
Total Alpha Beta Spin
1 1 C 1S 1.23611 0.61806 0.61806 0.00000
2 2S 0.72943 0.36471 0.36471 0.00000
3 3S 0.27473 0.13737 0.13737 0.00000
4 4S 0.77849 0.38924 0.38924 0.00000
5 5S 0.19329 0.09664 0.09664 0.00000
6 6S -0.01228 -0.00614 -0.00614 0.00000
7 7PX 0.09051 0.04526 0.04526 0.00000
8 7PY 0.09051 0.04526 0.04526 0.00000
9 7PZ 0.08709 0.04354 0.04354 0.00000
10 8PX 0.31604 0.15802 0.15802 0.00000
11 8PY 0.31604 0.15802 0.15802 0.00000
12 8PZ 0.30859 0.15430 0.15430 0.00000
13 9PX 0.52736 0.26368 0.26368 0.00000
14 9PY 0.52736 0.26368 0.26368 0.00000
15 9PZ 0.44559 0.22279 0.22279 0.00000
16 10PX 0.26814 0.13407 0.13407 0.00000
17 10PY 0.26814 0.13407 0.13407 0.00000
18 10PZ 0.16652 0.08326 0.08326 0.00000
19 11PX 0.00598 0.00299 0.00299 0.00000
20 11PY 0.00598 0.00299 0.00299 0.00000
21 11PZ 0.00934 0.00467 0.00467 0.00000
22 12D 0 0.00107 0.00053 0.00053 0.00000
23 12D+1 0.00066 0.00033 0.00033 0.00000
24 12D-1 0.00066 0.00033 0.00033 0.00000
25 12D+2 0.00078 0.00039 0.00039 0.00000
26 12D-2 0.00078 0.00039 0.00039 0.00000
27 13D 0 0.00973 0.00487 0.00487 0.00000
28 13D+1 0.00708 0.00354 0.00354 0.00000
29 13D-1 0.00708 0.00354 0.00354 0.00000
30 13D+2 0.00624 0.00312 0.00312 0.00000
31 13D-2 0.00624 0.00312 0.00312 0.00000
32 14D 0 0.01752 0.00876 0.00876 0.00000
33 14D+1 0.01244 0.00622 0.00622 0.00000
34 14D-1 0.01244 0.00622 0.00622 0.00000
35 14D+2 0.02215 0.01107 0.01107 0.00000
36 14D-2 0.02215 0.01107 0.01107 0.00000
37 15D 0 0.00088 0.00044 0.00044 0.00000
38 15D+1 -0.02496 -0.01248 -0.01248 0.00000
39 15D-1 -0.02496 -0.01248 -0.01248 0.00000
40 15D+2 0.00732 0.00366 0.00366 0.00000
41 15D-2 0.00732 0.00366 0.00366 0.00000
42 16F 0 0.00026 0.00013 0.00013 0.00000
43 16F+1 0.00008 0.00004 0.00004 0.00000
44 16F-1 0.00008 0.00004 0.00004 0.00000
45 16F+2 0.00010 0.00005 0.00005 0.00000
46 16F-2 0.00010 0.00005 0.00005 0.00000
47 16F+3 0.00000 0.00000 0.00000 0.00000
48 16F-3 0.00026 0.00013 0.00013 0.00000
49 17F 0 0.00285 0.00143 0.00143 0.00000
50 17F+1 0.00135 0.00068 0.00068 0.00000
51 17F-1 0.00135 0.00068 0.00068 0.00000
52 17F+2 0.00035 0.00018 0.00018 0.00000
53 17F-2 0.00035 0.00018 0.00018 0.00000
54 17F+3 0.00000 0.00000 0.00000 0.00000
55 17F-3 0.00154 0.00077 0.00077 0.00000
56 18F 0 -0.00044 -0.00022 -0.00022 0.00000
57 18F+1 0.00122 0.00061 0.00061 0.00000
58 18F-1 0.00122 0.00061 0.00061 0.00000
59 18F+2 0.00104 0.00052 0.00052 0.00000
60 18F-2 0.00104 0.00052 0.00052 0.00000
61 18F+3 0.00000 0.00000 0.00000 0.00000
62 18F-3 0.00050 0.00025 0.00025 0.00000
63 19G 0 0.00017 0.00009 0.00009 0.00000
64 19G+1 0.00014 0.00007 0.00007 0.00000
65 19G-1 0.00014 0.00007 0.00007 0.00000
66 19G+2 0.00000 0.00000 0.00000 0.00000
67 19G-2 0.00000 0.00000 0.00000 0.00000
68 19G+3 0.00000 0.00000 0.00000 0.00000
69 19G-3 0.00016 0.00008 0.00008 0.00000
70 19G+4 0.00009 0.00004 0.00004 0.00000
71 19G-4 0.00009 0.00004 0.00004 0.00000
72 20G 0 0.00019 0.00010 0.00010 0.00000
73 20G+1 0.00026 0.00013 0.00013 0.00000
74 20G-1 0.00026 0.00013 0.00013 0.00000
75 20G+2 -0.00017 -0.00008 -0.00008 0.00000
76 20G-2 -0.00017 -0.00008 -0.00008 0.00000
77 20G+3 0.00000 0.00000 0.00000 0.00000
78 20G-3 -0.00007 -0.00003 -0.00003 0.00000
79 20G+4 0.00000 0.00000 0.00000 0.00000
80 20G-4 0.00000 0.00000 0.00000 0.00000
81 2 C 1S 1.23611 0.61806 0.61806 0.00000
82 2S 0.72943 0.36471 0.36471 0.00000
83 3S 0.27473 0.13737 0.13737 0.00000
84 4S 0.77849 0.38924 0.38924 0.00000
85 5S 0.19329 0.09664 0.09664 0.00000
86 6S -0.01228 -0.00614 -0.00614 0.00000
87 7PX 0.09051 0.04526 0.04526 0.00000
88 7PY 0.09051 0.04526 0.04526 0.00000
89 7PZ 0.08709 0.04354 0.04354 0.00000
90 8PX 0.31604 0.15802 0.15802 0.00000
91 8PY 0.31604 0.15802 0.15802 0.00000
92 8PZ 0.30859 0.15430 0.15430 0.00000
93 9PX 0.52736 0.26368 0.26368 0.00000
94 9PY 0.52736 0.26368 0.26368 0.00000
95 9PZ 0.44559 0.22279 0.22279 0.00000
96 10PX 0.26814 0.13407 0.13407 0.00000
97 10PY 0.26814 0.13407 0.13407 0.00000
98 10PZ 0.16652 0.08326 0.08326 0.00000
99 11PX 0.00598 0.00299 0.00299 0.00000
100 11PY 0.00598 0.00299 0.00299 0.00000
101 11PZ 0.00934 0.00467 0.00467 0.00000
102 12D 0 0.00107 0.00053 0.00053 0.00000
103 12D+1 0.00066 0.00033 0.00033 0.00000
104 12D-1 0.00066 0.00033 0.00033 0.00000
105 12D+2 0.00078 0.00039 0.00039 0.00000
106 12D-2 0.00078 0.00039 0.00039 0.00000
107 13D 0 0.00973 0.00487 0.00487 0.00000
108 13D+1 0.00708 0.00354 0.00354 0.00000
109 13D-1 0.00708 0.00354 0.00354 0.00000
110 13D+2 0.00624 0.00312 0.00312 0.00000
111 13D-2 0.00624 0.00312 0.00312 0.00000
112 14D 0 0.01752 0.00876 0.00876 0.00000
113 14D+1 0.01244 0.00622 0.00622 0.00000
114 14D-1 0.01244 0.00622 0.00622 0.00000
115 14D+2 0.02215 0.01107 0.01107 0.00000
116 14D-2 0.02215 0.01107 0.01107 0.00000
117 15D 0 0.00088 0.00044 0.00044 0.00000
118 15D+1 -0.02496 -0.01248 -0.01248 0.00000
119 15D-1 -0.02496 -0.01248 -0.01248 0.00000
120 15D+2 0.00732 0.00366 0.00366 0.00000
121 15D-2 0.00732 0.00366 0.00366 0.00000
122 16F 0 0.00026 0.00013 0.00013 0.00000
123 16F+1 0.00008 0.00004 0.00004 0.00000
124 16F-1 0.00008 0.00004 0.00004 0.00000
125 16F+2 0.00010 0.00005 0.00005 0.00000
126 16F-2 0.00010 0.00005 0.00005 0.00000
127 16F+3 0.00000 0.00000 0.00000 0.00000
128 16F-3 0.00026 0.00013 0.00013 0.00000
129 17F 0 0.00285 0.00143 0.00143 0.00000
130 17F+1 0.00135 0.00068 0.00068 0.00000
131 17F-1 0.00135 0.00068 0.00068 0.00000
132 17F+2 0.00035 0.00018 0.00018 0.00000
133 17F-2 0.00035 0.00018 0.00018 0.00000
134 17F+3 0.00000 0.00000 0.00000 0.00000
135 17F-3 0.00154 0.00077 0.00077 0.00000
136 18F 0 -0.00044 -0.00022 -0.00022 0.00000
137 18F+1 0.00122 0.00061 0.00061 0.00000
138 18F-1 0.00122 0.00061 0.00061 0.00000
139 18F+2 0.00104 0.00052 0.00052 0.00000
140 18F-2 0.00104 0.00052 0.00052 0.00000
141 18F+3 0.00000 0.00000 0.00000 0.00000
142 18F-3 0.00050 0.00025 0.00025 0.00000
143 19G 0 0.00017 0.00009 0.00009 0.00000
144 19G+1 0.00014 0.00007 0.00007 0.00000
145 19G-1 0.00014 0.00007 0.00007 0.00000
146 19G+2 0.00000 0.00000 0.00000 0.00000
147 19G-2 0.00000 0.00000 0.00000 0.00000
148 19G+3 0.00000 0.00000 0.00000 0.00000
149 19G-3 0.00016 0.00008 0.00008 0.00000
150 19G+4 0.00009 0.00004 0.00004 0.00000
151 19G-4 0.00009 0.00004 0.00004 0.00000
152 20G 0 0.00019 0.00010 0.00010 0.00000
153 20G+1 0.00026 0.00013 0.00013 0.00000
154 20G-1 0.00026 0.00013 0.00013 0.00000
155 20G+2 -0.00017 -0.00008 -0.00008 0.00000
156 20G-2 -0.00017 -0.00008 -0.00008 0.00000
157 20G+3 0.00000 0.00000 0.00000 0.00000
158 20G-3 -0.00007 -0.00003 -0.00003 0.00000
159 20G+4 0.00000 0.00000 0.00000 0.00000
160 20G-4 0.00000 0.00000 0.00000 0.00000
161 3 H 1S 0.06920 0.03460 0.03460 0.00000
162 2S 0.30674 0.15337 0.15337 0.00000
163 3S 0.33424 0.16712 0.16712 0.00000
164 4S -0.00870 -0.00435 -0.00435 0.00000
165 5S -0.00157 -0.00078 -0.00078 0.00000
166 6PX 0.00024 0.00012 0.00012 0.00000
167 6PY 0.00131 0.00066 0.00066 0.00000
168 6PZ 0.00038 0.00019 0.00019 0.00000
169 7PX 0.00190 0.00095 0.00095 0.00000
170 7PY 0.00740 0.00370 0.00370 0.00000
171 7PZ 0.00289 0.00145 0.00145 0.00000
172 8PX 0.01165 0.00583 0.00583 0.00000
173 8PY 0.00360 0.00180 0.00180 0.00000
174 8PZ 0.00814 0.00407 0.00407 0.00000
175 9PX 0.00240 0.00120 0.00120 0.00000
176 9PY 0.00203 0.00101 0.00101 0.00000
177 9PZ 0.00425 0.00213 0.00213 0.00000
178 10D 0 0.00005 0.00003 0.00003 0.00000
179 10D+1 0.00000 0.00000 0.00000 0.00000
180 10D-1 0.00012 0.00006 0.00006 0.00000
181 10D+2 0.00013 0.00007 0.00007 0.00000
182 10D-2 0.00008 0.00004 0.00004 0.00000
183 11D 0 0.00055 0.00027 0.00027 0.00000
184 11D+1 0.00011 0.00005 0.00005 0.00000
185 11D-1 0.00080 0.00040 0.00040 0.00000
186 11D+2 0.00046 0.00023 0.00023 0.00000
187 11D-2 0.00090 0.00045 0.00045 0.00000
188 12D 0 0.00202 0.00101 0.00101 0.00000
189 12D+1 0.00032 0.00016 0.00016 0.00000
190 12D-1 0.00070 0.00035 0.00035 0.00000
191 12D+2 -0.00064 -0.00032 -0.00032 0.00000
192 12D-2 0.00139 0.00070 0.00070 0.00000
193 13F 0 0.00002 0.00001 0.00001 0.00000
194 13F+1 0.00000 0.00000 0.00000 0.00000
195 13F-1 0.00004 0.00002 0.00002 0.00000
196 13F+2 0.00004 0.00002 0.00002 0.00000
197 13F-2 0.00000 0.00000 0.00000 0.00000
198 13F+3 0.00005 0.00003 0.00003 0.00000
199 13F-3 0.00003 0.00002 0.00002 0.00000
200 14F 0 0.00000 0.00000 0.00000 0.00000
201 14F+1 0.00000 0.00000 0.00000 0.00000
202 14F-1 0.00024 0.00012 0.00012 0.00000
203 14F+2 0.00006 0.00003 0.00003 0.00000
204 14F-2 -0.00002 -0.00001 -0.00001 0.00000
205 14F+3 -0.00028 -0.00014 -0.00014 0.00000
206 14F-3 0.00001 0.00001 0.00001 0.00000
207 4 H 1S 0.06920 0.03460 0.03460 0.00000
208 2S 0.30674 0.15337 0.15337 0.00000
209 3S 0.33424 0.16712 0.16712 0.00000
210 4S -0.00870 -0.00435 -0.00435 0.00000
211 5S -0.00157 -0.00078 -0.00078 0.00000
212 6PX 0.00104 0.00052 0.00052 0.00000
213 6PY 0.00051 0.00025 0.00025 0.00000
214 6PZ 0.00038 0.00019 0.00019 0.00000
215 7PX 0.00603 0.00301 0.00301 0.00000
216 7PY 0.00328 0.00164 0.00164 0.00000
217 7PZ 0.00289 0.00145 0.00145 0.00000
218 8PX 0.00562 0.00281 0.00281 0.00000
219 8PY 0.00964 0.00482 0.00482 0.00000
220 8PZ 0.00814 0.00407 0.00407 0.00000
221 9PX 0.00212 0.00106 0.00106 0.00000
222 9PY 0.00231 0.00115 0.00115 0.00000
223 9PZ 0.00425 0.00213 0.00213 0.00000
224 10D 0 0.00005 0.00003 0.00003 0.00000
225 10D+1 0.00009 0.00004 0.00004 0.00000
226 10D-1 0.00003 0.00002 0.00002 0.00000
227 10D+2 0.00009 0.00005 0.00005 0.00000
228 10D-2 0.00012 0.00006 0.00006 0.00000
229 11D 0 0.00055 0.00027 0.00027 0.00000
230 11D+1 0.00063 0.00032 0.00032 0.00000
231 11D-1 0.00028 0.00014 0.00014 0.00000
232 11D+2 0.00079 0.00040 0.00040 0.00000
233 11D-2 0.00057 0.00029 0.00029 0.00000
234 12D 0 0.00202 0.00101 0.00101 0.00000
235 12D+1 0.00061 0.00030 0.00030 0.00000
236 12D-1 0.00042 0.00021 0.00021 0.00000
237 12D+2 0.00088 0.00044 0.00044 0.00000
238 12D-2 -0.00013 -0.00007 -0.00007 0.00000
239 13F 0 0.00002 0.00001 0.00001 0.00000
240 13F+1 0.00003 0.00002 0.00002 0.00000
241 13F-1 0.00001 0.00001 0.00001 0.00000
242 13F+2 0.00001 0.00001 0.00001 0.00000
243 13F-2 0.00003 0.00002 0.00002 0.00000
244 13F+3 0.00005 0.00003 0.00003 0.00000
245 13F-3 0.00003 0.00002 0.00002 0.00000
246 14F 0 0.00000 0.00000 0.00000 0.00000
247 14F+1 0.00018 0.00009 0.00009 0.00000
248 14F-1 0.00006 0.00003 0.00003 0.00000
249 14F+2 0.00000 0.00000 0.00000 0.00000
250 14F-2 0.00004 0.00002 0.00002 0.00000
251 14F+3 -0.00028 -0.00014 -0.00014 0.00000
252 14F-3 0.00001 0.00001 0.00001 0.00000
253 5 H 1S 0.06920 0.03460 0.03460 0.00000
254 2S 0.30674 0.15337 0.15337 0.00000
255 3S 0.33424 0.16712 0.16712 0.00000
256 4S -0.00870 -0.00435 -0.00435 0.00000
257 5S -0.00157 -0.00078 -0.00078 0.00000
258 6PX 0.00104 0.00052 0.00052 0.00000
259 6PY 0.00051 0.00025 0.00025 0.00000
260 6PZ 0.00038 0.00019 0.00019 0.00000
261 7PX 0.00603 0.00301 0.00301 0.00000
262 7PY 0.00328 0.00164 0.00164 0.00000
263 7PZ 0.00289 0.00145 0.00145 0.00000
264 8PX 0.00562 0.00281 0.00281 0.00000
265 8PY 0.00964 0.00482 0.00482 0.00000
266 8PZ 0.00814 0.00407 0.00407 0.00000
267 9PX 0.00212 0.00106 0.00106 0.00000
268 9PY 0.00231 0.00115 0.00115 0.00000
269 9PZ 0.00425 0.00213 0.00213 0.00000
270 10D 0 0.00005 0.00003 0.00003 0.00000
271 10D+1 0.00009 0.00004 0.00004 0.00000
272 10D-1 0.00003 0.00002 0.00002 0.00000
273 10D+2 0.00009 0.00005 0.00005 0.00000
274 10D-2 0.00012 0.00006 0.00006 0.00000
275 11D 0 0.00055 0.00027 0.00027 0.00000
276 11D+1 0.00063 0.00032 0.00032 0.00000
277 11D-1 0.00028 0.00014 0.00014 0.00000
278 11D+2 0.00079 0.00040 0.00040 0.00000
279 11D-2 0.00057 0.00029 0.00029 0.00000
280 12D 0 0.00202 0.00101 0.00101 0.00000
281 12D+1 0.00061 0.00030 0.00030 0.00000
282 12D-1 0.00042 0.00021 0.00021 0.00000
283 12D+2 0.00088 0.00044 0.00044 0.00000
284 12D-2 -0.00013 -0.00007 -0.00007 0.00000
285 13F 0 0.00002 0.00001 0.00001 0.00000
286 13F+1 0.00003 0.00002 0.00002 0.00000
287 13F-1 0.00001 0.00001 0.00001 0.00000
288 13F+2 0.00001 0.00001 0.00001 0.00000
289 13F-2 0.00003 0.00002 0.00002 0.00000
290 13F+3 0.00005 0.00003 0.00003 0.00000
291 13F-3 0.00003 0.00002 0.00002 0.00000
292 14F 0 0.00000 0.00000 0.00000 0.00000
293 14F+1 0.00018 0.00009 0.00009 0.00000
294 14F-1 0.00006 0.00003 0.00003 0.00000
295 14F+2 0.00000 0.00000 0.00000 0.00000
296 14F-2 0.00004 0.00002 0.00002 0.00000
297 14F+3 -0.00028 -0.00014 -0.00014 0.00000
298 14F-3 0.00001 0.00001 0.00001 0.00000
299 6 H 1S 0.06920 0.03460 0.03460 0.00000
300 2S 0.30674 0.15337 0.15337 0.00000
301 3S 0.33424 0.16712 0.16712 0.00000
302 4S -0.00870 -0.00435 -0.00435 0.00000
303 5S -0.00157 -0.00078 -0.00078 0.00000
304 6PX 0.00024 0.00012 0.00012 0.00000
305 6PY 0.00131 0.00066 0.00066 0.00000
306 6PZ 0.00038 0.00019 0.00019 0.00000
307 7PX 0.00190 0.00095 0.00095 0.00000
308 7PY 0.00740 0.00370 0.00370 0.00000
309 7PZ 0.00289 0.00145 0.00145 0.00000
310 8PX 0.01165 0.00583 0.00583 0.00000
311 8PY 0.00360 0.00180 0.00180 0.00000
312 8PZ 0.00814 0.00407 0.00407 0.00000
313 9PX 0.00240 0.00120 0.00120 0.00000
314 9PY 0.00203 0.00101 0.00101 0.00000
315 9PZ 0.00425 0.00213 0.00213 0.00000
316 10D 0 0.00005 0.00003 0.00003 0.00000
317 10D+1 0.00000 0.00000 0.00000 0.00000
318 10D-1 0.00012 0.00006 0.00006 0.00000
319 10D+2 0.00013 0.00007 0.00007 0.00000
320 10D-2 0.00008 0.00004 0.00004 0.00000
321 11D 0 0.00055 0.00027 0.00027 0.00000
322 11D+1 0.00011 0.00005 0.00005 0.00000
323 11D-1 0.00080 0.00040 0.00040 0.00000
324 11D+2 0.00046 0.00023 0.00023 0.00000
325 11D-2 0.00090 0.00045 0.00045 0.00000
326 12D 0 0.00202 0.00101 0.00101 0.00000
327 12D+1 0.00032 0.00016 0.00016 0.00000
328 12D-1 0.00070 0.00035 0.00035 0.00000
329 12D+2 -0.00064 -0.00032 -0.00032 0.00000
330 12D-2 0.00139 0.00070 0.00070 0.00000
331 13F 0 0.00002 0.00001 0.00001 0.00000
332 13F+1 0.00000 0.00000 0.00000 0.00000
333 13F-1 0.00004 0.00002 0.00002 0.00000
334 13F+2 0.00004 0.00002 0.00002 0.00000
335 13F-2 0.00000 0.00000 0.00000 0.00000
336 13F+3 0.00005 0.00003 0.00003 0.00000
337 13F-3 0.00003 0.00002 0.00002 0.00000
338 14F 0 0.00000 0.00000 0.00000 0.00000
339 14F+1 0.00000 0.00000 0.00000 0.00000
340 14F-1 0.00024 0.00012 0.00012 0.00000
341 14F+2 0.00006 0.00003 0.00003 0.00000
342 14F-2 -0.00002 -0.00001 -0.00001 0.00000
343 14F+3 -0.00028 -0.00014 -0.00014 0.00000
344 14F-3 0.00001 0.00001 0.00001 0.00000
345 7 H 1S 0.06920 0.03460 0.03460 0.00000
346 2S 0.30674 0.15337 0.15337 0.00000
347 3S 0.33424 0.16712 0.16712 0.00000
348 4S -0.00870 -0.00435 -0.00435 0.00000
349 5S -0.00157 -0.00078 -0.00078 0.00000
350 6PX 0.00104 0.00052 0.00052 0.00000
351 6PY 0.00051 0.00025 0.00025 0.00000
352 6PZ 0.00038 0.00019 0.00019 0.00000
353 7PX 0.00603 0.00301 0.00301 0.00000
354 7PY 0.00328 0.00164 0.00164 0.00000
355 7PZ 0.00289 0.00145 0.00145 0.00000
356 8PX 0.00562 0.00281 0.00281 0.00000
357 8PY 0.00964 0.00482 0.00482 0.00000
358 8PZ 0.00814 0.00407 0.00407 0.00000
359 9PX 0.00212 0.00106 0.00106 0.00000
360 9PY 0.00231 0.00115 0.00115 0.00000
361 9PZ 0.00425 0.00213 0.00213 0.00000
362 10D 0 0.00005 0.00003 0.00003 0.00000
363 10D+1 0.00009 0.00004 0.00004 0.00000
364 10D-1 0.00003 0.00002 0.00002 0.00000
365 10D+2 0.00009 0.00005 0.00005 0.00000
366 10D-2 0.00012 0.00006 0.00006 0.00000
367 11D 0 0.00055 0.00027 0.00027 0.00000
368 11D+1 0.00063 0.00032 0.00032 0.00000
369 11D-1 0.00028 0.00014 0.00014 0.00000
370 11D+2 0.00079 0.00040 0.00040 0.00000
371 11D-2 0.00057 0.00029 0.00029 0.00000
372 12D 0 0.00202 0.00101 0.00101 0.00000
373 12D+1 0.00061 0.00030 0.00030 0.00000
374 12D-1 0.00042 0.00021 0.00021 0.00000
375 12D+2 0.00088 0.00044 0.00044 0.00000
376 12D-2 -0.00013 -0.00007 -0.00007 0.00000
377 13F 0 0.00002 0.00001 0.00001 0.00000
378 13F+1 0.00003 0.00002 0.00002 0.00000
379 13F-1 0.00001 0.00001 0.00001 0.00000
380 13F+2 0.00001 0.00001 0.00001 0.00000
381 13F-2 0.00003 0.00002 0.00002 0.00000
382 13F+3 0.00005 0.00003 0.00003 0.00000
383 13F-3 0.00003 0.00002 0.00002 0.00000
384 14F 0 0.00000 0.00000 0.00000 0.00000
385 14F+1 0.00018 0.00009 0.00009 0.00000
386 14F-1 0.00006 0.00003 0.00003 0.00000
387 14F+2 0.00000 0.00000 0.00000 0.00000
388 14F-2 0.00004 0.00002 0.00002 0.00000
389 14F+3 -0.00028 -0.00014 -0.00014 0.00000
390 14F-3 0.00001 0.00001 0.00001 0.00000
391 8 H 1S 0.06920 0.03460 0.03460 0.00000
392 2S 0.30674 0.15337 0.15337 0.00000
393 3S 0.33424 0.16712 0.16712 0.00000
394 4S -0.00870 -0.00435 -0.00435 0.00000
395 5S -0.00157 -0.00078 -0.00078 0.00000
396 6PX 0.00104 0.00052 0.00052 0.00000
397 6PY 0.00051 0.00025 0.00025 0.00000
398 6PZ 0.00038 0.00019 0.00019 0.00000
399 7PX 0.00603 0.00301 0.00301 0.00000
400 7PY 0.00328 0.00164 0.00164 0.00000
401 7PZ 0.00289 0.00145 0.00145 0.00000
402 8PX 0.00562 0.00281 0.00281 0.00000
403 8PY 0.00964 0.00482 0.00482 0.00000
404 8PZ 0.00814 0.00407 0.00407 0.00000
405 9PX 0.00212 0.00106 0.00106 0.00000
406 9PY 0.00231 0.00115 0.00115 0.00000
407 9PZ 0.00425 0.00213 0.00213 0.00000
408 10D 0 0.00005 0.00003 0.00003 0.00000
409 10D+1 0.00009 0.00004 0.00004 0.00000
410 10D-1 0.00003 0.00002 0.00002 0.00000
411 10D+2 0.00009 0.00005 0.00005 0.00000
412 10D-2 0.00012 0.00006 0.00006 0.00000
413 11D 0 0.00055 0.00027 0.00027 0.00000
414 11D+1 0.00063 0.00032 0.00032 0.00000
415 11D-1 0.00028 0.00014 0.00014 0.00000
416 11D+2 0.00079 0.00040 0.00040 0.00000
417 11D-2 0.00057 0.00029 0.00029 0.00000
418 12D 0 0.00202 0.00101 0.00101 0.00000
419 12D+1 0.00061 0.00030 0.00030 0.00000
420 12D-1 0.00042 0.00021 0.00021 0.00000
421 12D+2 0.00088 0.00044 0.00044 0.00000
422 12D-2 -0.00013 -0.00007 -0.00007 0.00000
423 13F 0 0.00002 0.00001 0.00001 0.00000
424 13F+1 0.00003 0.00002 0.00002 0.00000
425 13F-1 0.00001 0.00001 0.00001 0.00000
426 13F+2 0.00001 0.00001 0.00001 0.00000
427 13F-2 0.00003 0.00002 0.00002 0.00000
428 13F+3 0.00005 0.00003 0.00003 0.00000
429 13F-3 0.00003 0.00002 0.00002 0.00000
430 14F 0 0.00000 0.00000 0.00000 0.00000
431 14F+1 0.00018 0.00009 0.00009 0.00000
432 14F-1 0.00006 0.00003 0.00003 0.00000
433 14F+2 0.00000 0.00000 0.00000 0.00000
434 14F-2 0.00004 0.00002 0.00002 0.00000
435 14F+3 -0.00028 -0.00014 -0.00014 0.00000
436 14F-3 0.00001 0.00001 0.00001 0.00000
Condensed to atoms (all electrons):
1 2 3 4 5 6
1 C 5.234860 0.360932 0.411223 0.411223 0.411223 -0.029841
2 C 0.360932 5.234860 -0.029841 -0.029841 -0.029841 0.411223
3 H 0.411223 -0.029841 0.367317 0.001789 0.001789 0.004498
4 H 0.411223 -0.029841 0.001789 0.367317 0.001789 -0.001710
5 H 0.411223 -0.029841 0.001789 0.001789 0.367317 -0.001710
6 H -0.029841 0.411223 0.004498 -0.001710 -0.001710 0.367317
7 H -0.029841 0.411223 -0.001710 -0.001710 0.004498 0.001789
8 H -0.029841 0.411223 -0.001710 0.004498 -0.001710 0.001789
7 8
1 C -0.029841 -0.029841
2 C 0.411223 0.411223
3 H -0.001710 -0.001710
4 H -0.001710 0.004498
5 H 0.004498 -0.001710
6 H 0.001789 0.001789
7 H 0.367317 0.001789
8 H 0.001789 0.367317
Atomic-Atomic Spin Densities.
1 2 3 4 5 6
1 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
2 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
3 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
4 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
5 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
6 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
7 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
8 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
7 8
1 C 0.000000 0.000000
2 C 0.000000 0.000000
3 H 0.000000 0.000000
4 H 0.000000 0.000000
5 H 0.000000 0.000000
6 H 0.000000 0.000000
7 H 0.000000 0.000000
8 H 0.000000 0.000000
Mulliken charges and spin densities:
1 2
1 C -0.739938 0.000000
2 C -0.739938 0.000000
3 H 0.246646 0.000000
4 H 0.246646 0.000000
5 H 0.246646 0.000000
6 H 0.246646 0.000000
7 H 0.246646 0.000000
8 H 0.246646 0.000000
Sum of Mulliken charges = 0.00000 0.00000
Mulliken charges and spin densities with hydrogens summed into heavy atoms:
1 2
1 C 0.000000 0.000000
2 C 0.000000 0.000000
Electronic spatial extent (au): <R**2>= 110.2711
Charge= 0.0000 electrons
Dipole moment (field-independent basis, Debye):
X= 0.0000 Y= 0.0000 Z= 0.0000 Tot= 0.0000
Quadrupole moment (field-independent basis, Debye-Ang):
XX= -14.9520 YY= -14.9520 ZZ= -15.6746
XY= 0.0000 XZ= 0.0000 YZ= 0.0000
Traceless Quadrupole moment (field-independent basis, Debye-Ang):
XX= 0.2409 YY= 0.2409 ZZ= -0.4817
XY= 0.0000 XZ= 0.0000 YZ= 0.0000
Octapole moment (field-independent basis, Debye-Ang**2):
XXX= 0.0000 YYY= 0.0000 ZZZ= 0.0000 XYY= 0.0000
XXY= 0.0000 XXZ= 0.0000 XZZ= 0.0000 YZZ= 0.0000
YYZ= 0.0000 XYZ= 0.0000
Hexadecapole moment (field-independent basis, Debye-Ang**3):
XXXX= -29.7554 YYYY= -29.7554 ZZZZ= -96.0280 XXXY= 0.0000
XXXZ= 0.0000 YYYX= 0.0000 YYYZ= 1.4449 ZZZX= 0.0000
ZZZY= 0.0000 XXYY= -9.9185 XXZZ= -19.9018 YYZZ= -19.9018
XXYZ= -1.4449 YYXZ= 0.0000 ZZXY= 0.0000
N-N= 4.214222410300D+01 E-N=-2.680607310528D+02 KE= 7.914870197142D+01
Symmetry AG KE= 3.901385452852D+01
Symmetry BG KE= 2.056796337786D+00
Symmetry AU KE= 1.785882316738D+00
Symmetry BU KE= 3.629216878838D+01
Orbital energies and kinetic energies (alpha):
1 2
1 (A1G)--O -11.212433 16.018595
2 (A2U)--O -11.211834 16.026065
3 (A1G)--O -1.015466 1.258414
4 (A2U)--O -0.840436 1.227078
5 (EU)--O -0.594744 0.892941
6 (EU)--O -0.594744 0.892941
7 (A1G)--O -0.509676 1.201520
8 (EG)--O -0.485886 1.028398
9 (EG)--O -0.485886 1.028398
10 (A1G)--V 0.028700 0.055040
11 (A2U)--V 0.037972 0.051495
12 (EU)--V 0.038861 0.047364
13 (EU)--V 0.038861 0.047364
14 (EG)--V 0.061781 0.067715
15 (EG)--V 0.061781 0.067715
16 (A1G)--V 0.087430 0.096155
17 (EG)--V 0.099825 0.106419
18 (EG)--V 0.099825 0.106419
19 (A2U)--V 0.107922 0.139127
20 (EU)--V 0.125223 0.164632
21 (EU)--V 0.125223 0.164632
22 (A1G)--V 0.126092 0.242485
23 (A2U)--V 0.158509 0.236391
24 (EG)--V 0.192093 0.268590
25 (EG)--V 0.192093 0.268590
26 (EU)--V 0.206950 0.272846
27 (EU)--V 0.206950 0.272846
28 (EU)--V 0.243842 0.255685
29 (EU)--V 0.243842 0.255685
30 (A1G)--V 0.244466 0.324048
31 (A2U)--V 0.261364 0.277516
32 (A1U)--V 0.262159 0.266215
33 (A2U)--V 0.268751 0.386304
34 (EG)--V 0.269043 0.324460
35 (EG)--V 0.269043 0.324460
36 (EU)--V 0.303439 0.396369
37 (EU)--V 0.303439 0.396369
38 (A1G)--V 0.310934 0.393650
39 (EG)--V 0.324312 0.328265
40 (EG)--V 0.324312 0.328265
41 (A2G)--V 0.327351 0.330235
42 (A1G)--V 0.338544 0.543811
43 (EG)--V 0.339837 0.344721
44 (EG)--V 0.339837 0.344721
45 (A1G)--V 0.343649 0.346291
46 (A2U)--V 0.355689 0.586063
47 (EG)--V 0.375415 0.380491
48 (EG)--V 0.375415 0.380491
49 (EU)--V 0.379857 0.699902
50 (EU)--V 0.379857 0.699902
51 (EG)--V 0.407342 0.697001
52 (EG)--V 0.407342 0.697001
53 (A2U)--V 0.412356 0.507351
54 (EU)--V 0.429908 0.445605
55 (EU)--V 0.429908 0.445605
56 (EU)--V 0.462025 0.491397
57 (EU)--V 0.462025 0.491397
58 (A2U)--V 0.465507 1.075302
59 (EU)--V 0.542549 0.668186
60 (EU)--V 0.542549 0.668186
61 (A1G)--V 0.549736 0.738907
62 (EG)--V 0.597177 0.795278
63 (EG)--V 0.597177 0.795278
64 (EU)--V 0.616144 0.720009
65 (EU)--V 0.616144 0.720009
66 (A2U)--V 0.631880 0.947641
67 (A1U)--V 0.642501 0.675369
68 (A1G)--V 0.648683 1.013813
69 (EU)--V 0.665276 0.994673
70 (EU)--V 0.665276 0.994673
71 (EG)--V 0.707601 0.777638
72 (EG)--V 0.707601 0.777638
73 (A2U)--V 0.722741 1.115144
74 (A2G)--V 0.731240 0.764169
75 (A1G)--V 0.743729 1.088059
76 (A2U)--V 0.745767 1.557118
77 (EG)--V 0.758573 0.863234
78 (EG)--V 0.758573 0.863234
79 (A1U)--V 0.768528 0.777210
80 (A1G)--V 0.781348 0.803354
81 (EG)--V 0.784248 1.248823
82 (EG)--V 0.784248 1.248823
83 (EU)--V 0.787682 0.925647
84 (EU)--V 0.787682 0.925647
85 (EU)--V 0.852835 0.872608
86 (EU)--V 0.852835 0.872608
87 (A2U)--V 0.858405 1.072204
88 (EG)--V 0.865096 0.898212
89 (EG)--V 0.865096 0.898212
90 (EU)--V 0.901397 1.009814
91 (EU)--V 0.901397 1.009814
92 (A1G)--V 0.903477 0.919543
93 (EG)--V 0.920136 0.945092
94 (EG)--V 0.920136 0.945092
95 (A2U)--V 0.923420 0.956326
96 (A2G)--V 0.963577 0.969106
97 (EG)--V 0.975141 1.007793
98 (EG)--V 0.975141 1.007793
99 (EU)--V 0.982706 1.121393
100 (EU)--V 0.982706 1.121393
101 (EU)--V 0.989512 1.052866
102 (EU)--V 0.989512 1.052866
103 (EG)--V 1.058035 1.111761
104 (EG)--V 1.058035 1.111761
105 (A1G)--V 1.072429 1.378451
106 (A2U)--V 1.117689 1.296068
107 (A1G)--V 1.137972 1.436544
108 (A1U)--V 1.165559 1.226497
109 (EG)--V 1.172765 1.481823
110 (EG)--V 1.172765 1.481823
111 (A2U)--V 1.182178 1.462824
112 (A1G)--V 1.211038 1.515763
113 (EG)--V 1.215335 1.414575
114 (EG)--V 1.215335 1.414575
115 (EU)--V 1.226268 1.505093
116 (EU)--V 1.226268 1.505093
117 (A2U)--V 1.260785 1.692862
118 (EU)--V 1.262449 1.576618
119 (EU)--V 1.262449 1.576618
120 (A2G)--V 1.274683 1.352188
121 (A2U)--V 1.314053 1.920457
122 (A1G)--V 1.318283 1.461653
123 (EG)--V 1.360409 1.501474
124 (EG)--V 1.360409 1.501474
125 (EU)--V 1.410579 1.541022
126 (EU)--V 1.410579 1.541022
127 (A1U)--V 1.444186 1.523851
128 (EG)--V 1.511242 1.976803
129 (EG)--V 1.511242 1.976803
130 (A1G)--V 1.518922 2.067558
131 (A2G)--V 1.550249 1.605572
132 (EU)--V 1.551604 1.786624
133 (EU)--V 1.551604 1.786624
134 (A2U)--V 1.581615 2.023672
135 (EU)--V 1.601739 1.811829
136 (EU)--V 1.601739 1.811829
137 (EG)--V 1.665647 1.814742
138 (EG)--V 1.665647 1.814742
139 (A1G)--V 1.669197 1.781780
140 (EU)--V 1.689739 1.768672
141 (EU)--V 1.689739 1.768672
142 (A2U)--V 1.770038 1.858063
143 (EG)--V 1.785137 1.893653
144 (EG)--V 1.785137 1.893653
145 (EU)--V 1.843026 1.940316
146 (EU)--V 1.843026 1.940316
147 (EG)--V 1.855358 2.034852
148 (EG)--V 1.855358 2.034852
149 (A1G)--V 1.924005 2.031871
150 (EU)--V 1.936429 2.056201
151 (EU)--V 1.936429 2.056201
152 (EG)--V 1.969585 2.045366
153 (EG)--V 1.969585 2.045366
154 (A1G)--V 1.981299 2.357863
155 (A1U)--V 1.998693 2.028170
156 (EU)--V 2.004885 2.250334
157 (EU)--V 2.004885 2.250334
158 (A2G)--V 2.013196 2.051368
159 (A2U)--V 2.022297 2.332715
160 (EU)--V 2.030470 2.100870
161 (EU)--V 2.030470 2.100870
162 (EG)--V 2.044054 2.102112
163 (EG)--V 2.044054 2.102112
164 (EU)--V 2.065659 2.257319
165 (EU)--V 2.065659 2.257319
166 (A1U)--V 2.070732 2.111813
167 (EG)--V 2.076563 2.261184
168 (EG)--V 2.076563 2.261184
169 (A2U)--V 2.098107 2.395316
170 (EG)--V 2.140319 2.261197
171 (EG)--V 2.140319 2.261197
172 (A2G)--V 2.157477 2.259947
173 (EG)--V 2.183665 2.475239
174 (EG)--V 2.183665 2.475239
175 (A1G)--V 2.210032 2.544604
176 (A2U)--V 2.221296 2.393025
177 (A1G)--V 2.241063 2.583609
178 (EU)--V 2.261590 2.390217
179 (EU)--V 2.261590 2.390217
180 (A1U)--V 2.267149 2.420798
181 (A2U)--V 2.303843 2.768231
182 (A2U)--V 2.328412 2.734805
183 (A1G)--V 2.344231 2.833759
184 (EG)--V 2.350914 2.627952
185 (EG)--V 2.350914 2.627952
186 (A2G)--V 2.355026 2.384226
187 (EU)--V 2.365708 2.903575
188 (EU)--V 2.365708 2.903575
189 (A1G)--V 2.424431 2.840985
190 (EU)--V 2.431786 2.699584
191 (EU)--V 2.431786 2.699584
192 (A2U)--V 2.441289 2.861148
193 (EU)--V 2.495362 2.778239
194 (EU)--V 2.495362 2.778239
195 (A1U)--V 2.521421 2.623381
196 (EG)--V 2.522860 2.698885
197 (EG)--V 2.522860 2.698885
198 (A1G)--V 2.553940 2.811391
199 (EG)--V 2.620583 2.873408
200 (EG)--V 2.620583 2.873408
201 (EU)--V 2.723244 2.916436
202 (EU)--V 2.723244 2.916436
203 (A2U)--V 2.756630 2.917722
204 (EG)--V 2.814210 3.388983
205 (EG)--V 2.814210 3.388983
206 (EG)--V 2.825814 3.028217
207 (EG)--V 2.825814 3.028217
208 (A2G)--V 2.842513 3.026203
209 (EU)--V 2.856618 3.327228
210 (EU)--V 2.856618 3.327228
211 (EG)--V 2.893218 3.132288
212 (EG)--V 2.893218 3.132288
213 (A2U)--V 2.901493 3.397583
214 (A1U)--V 2.931703 3.083296
215 (A1G)--V 2.946306 3.694530
216 (EU)--V 2.992104 3.277144
217 (EU)--V 2.992104 3.277144
218 (A2G)--V 3.018628 3.160836
219 (EG)--V 3.039843 3.270976
220 (EG)--V 3.039843 3.270976
221 (EU)--V 3.073909 3.275807
222 (EU)--V 3.073909 3.275807
223 (A1G)--V 3.095189 3.542013
224 (EG)--V 3.200551 3.409087
225 (EG)--V 3.200551 3.409087
226 (A1G)--V 3.271154 4.170528
227 (EU)--V 3.289950 3.532110
228 (EU)--V 3.289950 3.532110
229 (A2U)--V 3.293639 3.620113
230 (EG)--V 3.303335 3.588705
231 (EG)--V 3.303335 3.588705
232 (A1G)--V 3.337696 3.941294
233 (A2U)--V 3.340006 3.897455
234 (EU)--V 3.393582 3.658668
235 (EU)--V 3.393582 3.658668
236 (A2U)--V 3.516756 3.726074
237 (EG)--V 3.541985 3.833681
238 (EG)--V 3.541985 3.833681
239 (EU)--V 3.613242 3.815194
240 (EU)--V 3.613242 3.815194
241 (A1U)--V 3.674941 3.825763
242 (EG)--V 3.723170 3.923286
243 (EG)--V 3.723170 3.923286
244 (EU)--V 3.760281 4.141397
245 (EU)--V 3.760281 4.141397
246 (A2G)--V 3.774656 3.981958
247 (A1G)--V 3.860433 4.360622
248 (A1U)--V 3.868465 4.066085
249 (EU)--V 3.977697 4.197306
250 (EU)--V 3.977697 4.197306
251 (A2U)--V 3.990538 4.621688
252 (EG)--V 3.992248 4.194141
253 (EG)--V 3.992248 4.194141
254 (EU)--V 4.017025 4.442881
255 (EU)--V 4.017025 4.442881
256 (A2U)--V 4.067324 4.403920
257 (A2U)--V 4.087233 4.693686
258 (EG)--V 4.095085 4.555404
259 (EG)--V 4.095085 4.555404
260 (A1G)--V 4.131368 4.506909
261 (A1G)--V 4.180903 4.906627
262 (EG)--V 4.247373 4.883501
263 (EG)--V 4.247373 4.883501
264 (EU)--V 4.258537 4.899736
265 (EU)--V 4.258537 4.899736
266 (A1G)--V 4.339880 4.625602
267 (EU)--V 4.401480 4.642920
268 (EU)--V 4.401480 4.642920
269 (EG)--V 4.441627 4.747376
270 (EG)--V 4.441627 4.747376
271 (A2U)--V 4.511416 5.770931
272 (EU)--V 4.512982 4.972521
273 (EU)--V 4.512982 4.972521
274 (EG)--V 4.516707 5.230573
275 (EG)--V 4.516707 5.230573
276 (A2G)--V 4.590448 4.755270
277 (EU)--V 4.693315 5.316767
278 (EU)--V 4.693315 5.316767
279 (EG)--V 4.734845 5.347875
280 (EG)--V 4.734845 5.347875
281 (A1G)--V 4.795860 5.465534
282 (A2U)--V 4.875613 5.545246
283 (A1U)--V 4.949196 5.249070
284 (EG)--V 4.959480 5.268455
285 (EG)--V 4.959480 5.268455
286 (A1G)--V 5.089477 7.010716
287 (A2U)--V 5.091464 6.403845
288 (EU)--V 5.171556 5.667873
289 (EU)--V 5.171556 5.667873
290 (A2G)--V 5.297429 5.548352
291 (EG)--V 6.112263 6.813460
292 (EG)--V 6.112263 6.813460
293 (EU)--V 6.161952 6.712192
294 (EU)--V 6.161952 6.712192
295 (A1U)--V 6.231525 6.805203
296 (A2U)--V 6.231999 7.381755
297 (EG)--V 6.307124 7.164824
298 (EG)--V 6.307124 7.164824
299 (A2G)--V 6.352022 7.010688
300 (EU)--V 6.444596 7.320321
301 (EU)--V 6.444596 7.320321
302 (A1G)--V 6.498592 7.967946
303 (A1G)--V 6.621889 7.700305
304 (EG)--V 6.680551 7.156787
305 (EG)--V 6.680551 7.156787
306 (A2U)--V 6.768643 7.659811
307 (EU)--V 6.795719 7.443270
308 (EU)--V 6.795719 7.443270
309 (EG)--V 6.803173 7.513697
310 (EG)--V 6.803173 7.513697
311 (A1G)--V 6.812142 7.602137
312 (A1U)--V 6.866312 7.236973
313 (A1U)--V 6.898426 7.298370
314 (A2G)--V 6.904494 7.169054
315 (EU)--V 6.927945 8.008828
316 (EU)--V 6.927945 8.008828
317 (EU)--V 6.959059 7.486810
318 (EU)--V 6.959059 7.486810
319 (EG)--V 6.971546 7.658281
320 (EG)--V 6.971546 7.658281
321 (A2U)--V 7.024552 7.936576
322 (EG)--V 7.031527 7.686155
323 (EG)--V 7.031527 7.686155
324 (A2G)--V 7.081114 7.546031
325 (EU)--V 7.197024 7.792594
326 (EU)--V 7.197024 7.792594
327 (A2U)--V 7.197395 8.185044
328 (A1G)--V 7.279810 8.247604
329 (EU)--V 7.314514 8.013336
330 (EU)--V 7.314514 8.013336
331 (A1U)--V 7.351049 7.654531
332 (A1G)--V 7.367786 7.817928
333 (EG)--V 7.372233 8.091191
334 (EG)--V 7.372233 8.091191
335 (EU)--V 7.492862 8.908520
336 (EU)--V 7.492862 8.908520
337 (A1G)--V 7.514328 9.019203
338 (EG)--V 7.562173 8.585929
339 (EG)--V 7.562173 8.585929
340 (EG)--V 7.690186 9.862641
341 (EG)--V 7.690186 9.862641
342 (EU)--V 7.823726 9.242726
343 (EU)--V 7.823726 9.242726
344 (A2U)--V 7.827898 8.645502
345 (A2U)--V 7.846297 9.144340
346 (EG)--V 7.925824 8.510855
347 (EG)--V 7.925824 8.510855
348 (A1G)--V 7.943017 8.680253
349 (A2G)--V 7.958445 8.301184
350 (EU)--V 7.968128 9.191009
351 (EU)--V 7.968128 9.191009
352 (EU)--V 8.185164 9.085678
353 (EU)--V 8.185164 9.085678
354 (A2U)--V 8.218788 8.976617
355 (EG)--V 8.280957 9.154864
356 (EG)--V 8.280957 9.154864
357 (A1G)--V 8.362085 10.141691
358 (EU)--V 8.434197 9.424801
359 (EU)--V 8.434197 9.424801
360 (A2U)--V 8.462374 9.612619
361 (EG)--V 8.498399 9.541262
362 (EG)--V 8.498399 9.541262
363 (EU)--V 8.564979 9.577179
364 (EU)--V 8.564979 9.577179
365 (A2U)--V 8.675309 9.656909
366 (EG)--V 8.692304 9.391319
367 (EG)--V 8.692304 9.391319
368 (EU)--V 8.772565 9.364273
369 (EU)--V 8.772565 9.364273
370 (A1G)--V 8.797816 9.905621
371 (EG)--V 8.846815 10.159148
372 (EG)--V 8.846815 10.159148
373 (A1U)--V 9.111289 9.700904
374 (EG)--V 9.188474 9.899404
375 (EG)--V 9.188474 9.899404
376 (A2G)--V 9.229970 9.858914
377 (EU)--V 9.266161 9.841955
378 (EU)--V 9.266161 9.841955
379 (A1U)--V 9.290852 9.815400
380 (A2U)--V 9.306774 10.056792
381 (A1G)--V 9.341540 11.009251
382 (EG)--V 9.353283 10.064625
383 (EG)--V 9.353283 10.064625
384 (EU)--V 9.386388 10.240193
385 (EU)--V 9.386388 10.240193
386 (A1G)--V 9.431519 10.098467
387 (EG)--V 9.543391 10.271817
388 (EG)--V 9.543391 10.271817
389 (EU)--V 9.573551 10.440938
390 (EU)--V 9.573551 10.440938
391 (A2U)--V 9.574997 12.302446
392 (A2G)--V 9.656614 10.070850
393 (A1G)--V 9.668739 10.856876
394 (EU)--V 9.769490 10.381089
395 (EU)--V 9.769490 10.381089
396 (EG)--V 9.832794 10.459263
397 (EG)--V 9.832794 10.459263
398 (A2U)--V 9.890468 11.237916
399 (A1G)--V 9.898448 11.189333
400 (EG)--V 9.948370 10.912806
401 (EG)--V 9.948370 10.912806
402 (A1U)--V 9.997348 10.670018
403 (EU)--V 10.088200 10.899431
404 (EU)--V 10.088200 10.899431
405 (EU)--V 10.222190 11.140410
406 (EU)--V 10.222190 11.140410
407 (EG)--V 10.267615 11.244243
408 (EG)--V 10.267615 11.244243
409 (A2G)--V 10.288851 11.001023
410 (A2U)--V 10.331796 11.315915
411 (EU)--V 10.455301 11.163391
412 (EU)--V 10.455301 11.163391
413 (EG)--V 10.469738 11.290532
414 (EG)--V 10.469738 11.290532
415 (A2U)--V 10.547525 12.032001
416 (A1G)--V 10.771857 11.852470
417 (EG)--V 10.878054 11.749903
418 (EG)--V 10.878054 11.749903
419 (EU)--V 10.974248 11.915870
420 (EU)--V 10.974248 11.915870
421 (A2U)--V 10.997867 12.612710
422 (A1G)--V 11.004459 12.534417
423 (EG)--V 11.241593 12.224753
424 (EG)--V 11.241593 12.224753
425 (A1U)--V 11.345245 12.139946
426 (EU)--V 11.426043 12.604229
427 (EU)--V 11.426043 12.604229
428 (A2G)--V 11.483817 12.282633
429 (EG)--V 13.301776 16.301850
430 (EG)--V 13.301776 16.301850
431 (EU)--V 13.335762 16.165474
432 (EU)--V 13.335762 16.165474
433 (A1G)--V 13.345077 15.897370
434 (A2U)--V 13.672696 15.922067
435 (A2U)--V 28.661890 61.065186
436 (A1G)--V 28.904377 61.566189
Total kinetic energy from orbitals= 7.914870197142D+01
Isotropic Fermi Contact Couplings
Atom a.u. MegaHertz Gauss 10(-4) cm-1
1 C(13) 0.00000 0.00000 0.00000 0.00000
2 C(13) 0.00000 0.00000 0.00000 0.00000
3 H(1) 0.00000 0.00000 0.00000 0.00000
4 H(1) 0.00000 0.00000 0.00000 0.00000
5 H(1) 0.00000 0.00000 0.00000 0.00000
6 H(1) 0.00000 0.00000 0.00000 0.00000
7 H(1) 0.00000 0.00000 0.00000 0.00000
8 H(1) 0.00000 0.00000 0.00000 0.00000
--------------------------------------------------------
Center ---- Spin Dipole Couplings ----
3XX-RR 3YY-RR 3ZZ-RR
--------------------------------------------------------
1 Atom 0.000000 0.000000 0.000000
2 Atom 0.000000 0.000000 0.000000
3 Atom 0.000000 0.000000 0.000000
4 Atom 0.000000 0.000000 0.000000
5 Atom 0.000000 0.000000 0.000000
6 Atom 0.000000 0.000000 0.000000
7 Atom 0.000000 0.000000 0.000000
8 Atom 0.000000 0.000000 0.000000
--------------------------------------------------------
XY XZ YZ
--------------------------------------------------------
1 Atom 0.000000 0.000000 0.000000
2 Atom 0.000000 0.000000 0.000000
3 Atom 0.000000 0.000000 0.000000
4 Atom 0.000000 0.000000 0.000000
5 Atom 0.000000 0.000000 0.000000
6 Atom 0.000000 0.000000 0.000000
7 Atom 0.000000 0.000000 0.000000
8 Atom 0.000000 0.000000 0.000000
--------------------------------------------------------
---------------------------------------------------------------------------------
Anisotropic Spin Dipole Couplings in Principal Axis System
---------------------------------------------------------------------------------
Atom a.u. MegaHertz Gauss 10(-4) cm-1 Axes
Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000
1 C(13) 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 C(13) Bbb 0.0000 0.000 0.000 0.000 0.0000 1.0000 0.0000
Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000
Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000
3 H(1) Bbb 0.0000 0.000 0.000 0.000 0.0000 1.0000 0.0000
Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000
Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000
4 H(1) Bbb 0.0000 0.000 0.000 0.000 0.0000 1.0000 0.0000
Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000
Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000
5 H(1) Bbb 0.0000 0.000 0.000 0.000 0.0000 1.0000 0.0000
Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000
Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000
6 H(1) Bbb 0.0000 0.000 0.000 0.000 0.0000 1.0000 0.0000
Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000
Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000
7 H(1) Bbb 0.0000 0.000 0.000 0.000 0.0000 1.0000 0.0000
Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000
Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000
8 H(1) Bbb 0.0000 0.000 0.000 0.000 0.0000 1.0000 0.0000
Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000
---------------------------------------------------------------------------------
No NMR shielding tensors so no spin-rotation constants.
Leave Link 601 at Sat Apr 6 09:45:21 2019, MaxMem= 33554432 cpu: 1.6
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l9999.exe)
1\1\GINC-COMPUTE-40-2\SP\ROCCSD(T)-FC1\Aug-CC-pVQZ\C2H6\LOOS\06-Apr-20
19\0\\#p ROCCSD(T,FreezeInnerNobleGasCore) aug-cc-pVQZ pop=full gfprin
t\\G2\\0,1\C\C,1,1.53003633\H,1,1.09484731,2,111.3741399\H,1,1.0948473
1,2,111.3741399,3,120.,0\H,1,1.09484731,2,111.3741399,3,-120.,0\H,2,1.
09484731,1,111.3741399,3,180.,0\H,2,1.09484731,1,111.3741399,6,120.,0\
H,2,1.09484731,1,111.3741399,6,-120.,0\\Version=ES64L-G09RevD.01\State
=1-A1G\HF=-79.2648975\MP2=-79.7175067\MP3=-79.7443427\PUHF=-79.2648975
\PMP2-0=-79.7175067\MP4SDQ=-79.7462605\CCSD=-79.746106\CCSD(T)=-79.761
6872\RMSD=4.700e-09\PG=D03D [C3(C1.C1),3SGD(H2)]\\@
ALL THINGS ARE POSSIBLE EXCEPT SKIING THROUGH A REVOLVING DOOR.
Job cpu time: 0 days 8 hours 39 minutes 25.6 seconds.
File lengths (MBytes): RWF= 14587 Int= 0 D2E= 0 Chk= 16 Scr= 1
Normal termination of Gaussian 09 at Sat Apr 6 09:45:21 2019.
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