84126 lines
5.7 MiB
84126 lines
5.7 MiB
Entering Gaussian System, Link 0=g09
|
|
Input=H3COH.inp
|
|
Output=H3COH.out
|
|
Initial command:
|
|
/share/apps/gaussian/g09d01/nehalem/g09/l1.exe "/mnt/beegfs/tmpdir/42440/Gau-133019.inp" -scrdir="/mnt/beegfs/tmpdir/42440/"
|
|
Entering Link 1 = /share/apps/gaussian/g09d01/nehalem/g09/l1.exe PID= 133020.
|
|
|
|
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
|
|
3-Apr-2019
|
|
******************************************
|
|
%nproc=24
|
|
Will use up to 24 processors via shared memory.
|
|
%mem=100GB
|
|
-------------------------------------
|
|
#p ROCCSD(T) cc-pV5Z pop=full gfprint
|
|
-------------------------------------
|
|
1/38=1/1;
|
|
2/12=2,17=6,18=5,40=1/2;
|
|
3/5=16,6=3,11=2,16=1,24=100,25=1,30=1,116=101/1,2,3;
|
|
4//1;
|
|
5/5=2,38=5/2;
|
|
8/5=-1,6=4,9=120000,10=1/1,4;
|
|
9/5=7,14=2/13;
|
|
6/7=3/1;
|
|
99/5=1,9=1/99;
|
|
Leave Link 1 at Wed Apr 3 15:23:03 2019, MaxMem= 13421772800 cpu: 1.4
|
|
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l101.exe)
|
|
--
|
|
G2
|
|
--
|
|
Symbolic Z-matrix:
|
|
Charge = 0 Multiplicity = 1
|
|
C
|
|
O 1 AB
|
|
H 1 AH3 2 H3AB
|
|
H 2 BH9 1 H9BA 3 180. 0
|
|
X 1 1. 2 BAH12 3 180. 0
|
|
H 1 AH1 5 H1AH2 2 90. 0
|
|
H 1 AH1 5 H1AH2 2 -90. 0
|
|
Variables:
|
|
AB 1.41527
|
|
AH1 1.10037
|
|
AH3 1.09348
|
|
BH9 0.96129
|
|
H1AH2 54.13726
|
|
BAH12 131.3151
|
|
H3AB 106.94071
|
|
H9BA 107.85114
|
|
|
|
NAtoms= 6 NQM= 6 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
|
|
IAtWgt= 12 16 1 1 1 1
|
|
AtmWgt= 12.0000000 15.9949146 1.0078250 1.0078250 1.0078250 1.0078250
|
|
NucSpn= 0 0 1 1 1 1
|
|
AtZEff= 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
|
|
NMagM= 0.0000000 0.0000000 2.7928460 2.7928460 2.7928460 2.7928460
|
|
AtZNuc= 6.0000000 8.0000000 1.0000000 1.0000000 1.0000000 1.0000000
|
|
Leave Link 101 at Wed Apr 3 15:23:03 2019, MaxMem= 13421772800 cpu: 1.4
|
|
(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 8 0 0.000000 0.000000 1.415268
|
|
3 1 0 1.046033 0.000000 -0.318621
|
|
4 1 0 -0.915011 0.000000 1.709947
|
|
5 1 0 -0.484190 -0.891768 -0.425597
|
|
6 1 0 -0.484190 0.891768 -0.425597
|
|
---------------------------------------------------------------------
|
|
Distance matrix (angstroms):
|
|
1 2 3 4 5
|
|
1 C 0.000000
|
|
2 O 1.415268 0.000000
|
|
3 H 1.093482 2.024983 0.000000
|
|
4 H 1.939372 0.961292 2.821486 0.000000
|
|
5 H 1.100374 2.102017 1.774338 2.354019 0.000000
|
|
6 H 1.100374 2.102017 1.774338 2.354019 1.783537
|
|
6
|
|
6 H 0.000000
|
|
Stoichiometry CH4O
|
|
Framework group CS[SG(CH2O),X(H2)]
|
|
Deg. of freedom 8
|
|
Full point group CS NOp 2
|
|
Largest Abelian subgroup CS NOp 2
|
|
Largest concise Abelian subgroup CS NOp 2
|
|
Standard orientation:
|
|
---------------------------------------------------------------------
|
|
Center Atomic Atomic Coordinates (Angstroms)
|
|
Number Number Type X Y Z
|
|
---------------------------------------------------------------------
|
|
1 6 0 -0.046520 0.659015 0.000000
|
|
2 8 0 -0.046520 -0.756253 0.000000
|
|
3 1 0 -1.092552 0.977636 0.000000
|
|
4 1 0 0.868491 -1.050932 0.000000
|
|
5 1 0 0.437670 1.084612 0.891768
|
|
6 1 0 0.437670 1.084612 -0.891768
|
|
---------------------------------------------------------------------
|
|
Rotational constants (GHZ): 127.8905549 24.8667390 23.9865672
|
|
Leave Link 202 at Wed Apr 3 15:23:03 2019, MaxMem= 13421772800 cpu: 0.2
|
|
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l301.exe)
|
|
Standard basis: CC-pV5Z (5D, 7F)
|
|
Ernie: Thresh= 0.10000D-02 Tol= 0.10000D-05 Strict=F.
|
|
Ernie: 8 primitive shells out of 156 were deleted.
|
|
AO basis set (Overlap normalization):
|
|
Atom C1 Shell 1 S 9 bf 1 - 1 -0.087909850439 1.245358447892 0.000000000000
|
|
0.9677000000D+05 0.4625203266D-04
|
|
0.1450000000D+05 0.3324069183D-03
|
|
0.3300000000D+04 0.1767277677D-02
|
|
0.9358000000D+03 0.7354171702D-02
|
|
0.3062000000D+03 0.2611963959D-01
|
|
0.1113000000D+03 0.7807287867D-01
|
|
0.4390000000D+02 0.1959607249D+00
|
|
0.1840000000D+02 0.3683568961D+00
|
|
0.8054000000D+01 0.4404591813D+00
|
|
Atom C1 Shell 2 S 7 bf 2 - 2 -0.087909850439 1.245358447892 0.000000000000
|
|
0.9358000000D+03 -0.5149307386D-04
|
|
0.3062000000D+03 -0.1884316386D-03
|
|
0.1113000000D+03 -0.2667334384D-02
|
|
0.4390000000D+02 -0.1333849355D-01
|
|
0.1840000000D+02 -0.7549891227D-01
|
|
0.8054000000D+01 -0.2599952349D+00
|
|
0.3637000000D+01 -0.6974918333D+00
|
|
Atom C1 Shell 3 S 1 bf 3 - 3 -0.087909850439 1.245358447892 0.000000000000
|
|
0.1656000000D+01 0.1000000000D+01
|
|
Atom C1 Shell 4 S 1 bf 4 - 4 -0.087909850439 1.245358447892 0.000000000000
|
|
0.6333000000D+00 0.1000000000D+01
|
|
Atom C1 Shell 5 S 1 bf 5 - 5 -0.087909850439 1.245358447892 0.000000000000
|
|
0.2545000000D+00 0.1000000000D+01
|
|
Atom C1 Shell 6 S 1 bf 6 - 6 -0.087909850439 1.245358447892 0.000000000000
|
|
0.1019000000D+00 0.1000000000D+01
|
|
Atom C1 Shell 7 P 4 bf 7 - 9 -0.087909850439 1.245358447892 0.000000000000
|
|
0.1018000000D+03 0.6748259919D-02
|
|
0.2404000000D+02 0.5283486105D-01
|
|
0.7571000000D+01 0.2398548186D+00
|
|
0.2732000000D+01 0.7877211236D+00
|
|
Atom C1 Shell 8 P 1 bf 10 - 12 -0.087909850439 1.245358447892 0.000000000000
|
|
0.1085000000D+01 0.1000000000D+01
|
|
Atom C1 Shell 9 P 1 bf 13 - 15 -0.087909850439 1.245358447892 0.000000000000
|
|
0.4496000000D+00 0.1000000000D+01
|
|
Atom C1 Shell 10 P 1 bf 16 - 18 -0.087909850439 1.245358447892 0.000000000000
|
|
0.1876000000D+00 0.1000000000D+01
|
|
Atom C1 Shell 11 P 1 bf 19 - 21 -0.087909850439 1.245358447892 0.000000000000
|
|
0.7606000000D-01 0.1000000000D+01
|
|
Atom C1 Shell 12 D 1 bf 22 - 26 -0.087909850439 1.245358447892 0.000000000000
|
|
0.3134000000D+01 0.1000000000D+01
|
|
Atom C1 Shell 13 D 1 bf 27 - 31 -0.087909850439 1.245358447892 0.000000000000
|
|
0.1233000000D+01 0.1000000000D+01
|
|
Atom C1 Shell 14 D 1 bf 32 - 36 -0.087909850439 1.245358447892 0.000000000000
|
|
0.4850000000D+00 0.1000000000D+01
|
|
Atom C1 Shell 15 D 1 bf 37 - 41 -0.087909850439 1.245358447892 0.000000000000
|
|
0.1910000000D+00 0.1000000000D+01
|
|
Atom C1 Shell 16 F 1 bf 42 - 48 -0.087909850439 1.245358447892 0.000000000000
|
|
0.2006000000D+01 0.1000000000D+01
|
|
Atom C1 Shell 17 F 1 bf 49 - 55 -0.087909850439 1.245358447892 0.000000000000
|
|
0.8380000000D+00 0.1000000000D+01
|
|
Atom C1 Shell 18 F 1 bf 56 - 62 -0.087909850439 1.245358447892 0.000000000000
|
|
0.3500000000D+00 0.1000000000D+01
|
|
Atom C1 Shell 19 G 1 bf 63 - 71 -0.087909850439 1.245358447892 0.000000000000
|
|
0.1753000000D+01 0.1000000000D+01
|
|
Atom C1 Shell 20 G 1 bf 72 - 80 -0.087909850439 1.245358447892 0.000000000000
|
|
0.6780000000D+00 0.1000000000D+01
|
|
Atom C1 Shell 21 H 1 bf 81 - 91 -0.087909850439 1.245358447892 0.000000000000
|
|
0.1259000000D+01 0.1000000000D+01
|
|
Atom O2 Shell 22 S 9 bf 92 - 92 -0.087909850439 -1.429110438950 0.000000000000
|
|
0.1642000000D+06 0.4491125664D-04
|
|
0.2459000000D+05 0.3616241695D-03
|
|
0.5592000000D+04 0.1883394278D-02
|
|
0.1582000000D+04 0.7883170888D-02
|
|
0.5161000000D+03 0.2799225967D-01
|
|
0.1872000000D+03 0.8371422459D-01
|
|
0.7393000000D+02 0.2063506539D+00
|
|
0.3122000000D+02 0.3768974880D+00
|
|
0.1381000000D+02 0.4149014015D+00
|
|
Atom O2 Shell 23 S 7 bf 93 - 93 -0.087909850439 -1.429110438950 0.000000000000
|
|
0.1582000000D+04 -0.4284533954D-04
|
|
0.5161000000D+03 -0.2714396795D-03
|
|
0.1872000000D+03 -0.2950260819D-02
|
|
0.7393000000D+02 -0.1633497889D-01
|
|
0.3122000000D+02 -0.8525269497D-01
|
|
0.1381000000D+02 -0.2939748971D+00
|
|
0.6256000000D+01 -0.6542666235D+00
|
|
Atom O2 Shell 24 S 1 bf 94 - 94 -0.087909850439 -1.429110438950 0.000000000000
|
|
0.2776000000D+01 0.1000000000D+01
|
|
Atom O2 Shell 25 S 1 bf 95 - 95 -0.087909850439 -1.429110438950 0.000000000000
|
|
0.1138000000D+01 0.1000000000D+01
|
|
Atom O2 Shell 26 S 1 bf 96 - 96 -0.087909850439 -1.429110438950 0.000000000000
|
|
0.4600000000D+00 0.1000000000D+01
|
|
Atom O2 Shell 27 S 1 bf 97 - 97 -0.087909850439 -1.429110438950 0.000000000000
|
|
0.1829000000D+00 0.1000000000D+01
|
|
Atom O2 Shell 28 P 4 bf 98 - 100 -0.087909850439 -1.429110438950 0.000000000000
|
|
0.1955000000D+03 0.6274451512D-02
|
|
0.4616000000D+02 0.5049634833D-01
|
|
0.1458000000D+02 0.2389349411D+00
|
|
0.5296000000D+01 0.7889610158D+00
|
|
Atom O2 Shell 29 P 1 bf 101 - 103 -0.087909850439 -1.429110438950 0.000000000000
|
|
0.2094000000D+01 0.1000000000D+01
|
|
Atom O2 Shell 30 P 1 bf 104 - 106 -0.087909850439 -1.429110438950 0.000000000000
|
|
0.8471000000D+00 0.1000000000D+01
|
|
Atom O2 Shell 31 P 1 bf 107 - 109 -0.087909850439 -1.429110438950 0.000000000000
|
|
0.3368000000D+00 0.1000000000D+01
|
|
Atom O2 Shell 32 P 1 bf 110 - 112 -0.087909850439 -1.429110438950 0.000000000000
|
|
0.1285000000D+00 0.1000000000D+01
|
|
Atom O2 Shell 33 D 1 bf 113 - 117 -0.087909850439 -1.429110438950 0.000000000000
|
|
0.5879000000D+01 0.1000000000D+01
|
|
Atom O2 Shell 34 D 1 bf 118 - 122 -0.087909850439 -1.429110438950 0.000000000000
|
|
0.2307000000D+01 0.1000000000D+01
|
|
Atom O2 Shell 35 D 1 bf 123 - 127 -0.087909850439 -1.429110438950 0.000000000000
|
|
0.9050000000D+00 0.1000000000D+01
|
|
Atom O2 Shell 36 D 1 bf 128 - 132 -0.087909850439 -1.429110438950 0.000000000000
|
|
0.3550000000D+00 0.1000000000D+01
|
|
Atom O2 Shell 37 F 1 bf 133 - 139 -0.087909850439 -1.429110438950 0.000000000000
|
|
0.4016000000D+01 0.1000000000D+01
|
|
Atom O2 Shell 38 F 1 bf 140 - 146 -0.087909850439 -1.429110438950 0.000000000000
|
|
0.1554000000D+01 0.1000000000D+01
|
|
Atom O2 Shell 39 F 1 bf 147 - 153 -0.087909850439 -1.429110438950 0.000000000000
|
|
0.6010000000D+00 0.1000000000D+01
|
|
Atom O2 Shell 40 G 1 bf 154 - 162 -0.087909850439 -1.429110438950 0.000000000000
|
|
0.3350000000D+01 0.1000000000D+01
|
|
Atom O2 Shell 41 G 1 bf 163 - 171 -0.087909850439 -1.429110438950 0.000000000000
|
|
0.1189000000D+01 0.1000000000D+01
|
|
Atom O2 Shell 42 H 1 bf 172 - 182 -0.087909850439 -1.429110438950 0.000000000000
|
|
0.2319000000D+01 0.1000000000D+01
|
|
Atom H3 Shell 43 S 4 bf 183 - 183 -2.064624975089 1.847465053989 0.000000000000
|
|
0.4020000000D+03 0.5088104278D-02
|
|
0.6024000000D+02 0.3948295972D-01
|
|
0.1373000000D+02 0.2042718854D+00
|
|
0.3905000000D+01 0.8184370745D+00
|
|
Atom H3 Shell 44 S 1 bf 184 - 184 -2.064624975089 1.847465053989 0.000000000000
|
|
0.1283000000D+01 0.1000000000D+01
|
|
Atom H3 Shell 45 S 1 bf 185 - 185 -2.064624975089 1.847465053989 0.000000000000
|
|
0.4655000000D+00 0.1000000000D+01
|
|
Atom H3 Shell 46 S 1 bf 186 - 186 -2.064624975089 1.847465053989 0.000000000000
|
|
0.1811000000D+00 0.1000000000D+01
|
|
Atom H3 Shell 47 S 1 bf 187 - 187 -2.064624975089 1.847465053989 0.000000000000
|
|
0.7279000000D-01 0.1000000000D+01
|
|
Atom H3 Shell 48 P 1 bf 188 - 190 -2.064624975089 1.847465053989 0.000000000000
|
|
0.4516000000D+01 0.1000000000D+01
|
|
Atom H3 Shell 49 P 1 bf 191 - 193 -2.064624975089 1.847465053989 0.000000000000
|
|
0.1712000000D+01 0.1000000000D+01
|
|
Atom H3 Shell 50 P 1 bf 194 - 196 -2.064624975089 1.847465053989 0.000000000000
|
|
0.6490000000D+00 0.1000000000D+01
|
|
Atom H3 Shell 51 P 1 bf 197 - 199 -2.064624975089 1.847465053989 0.000000000000
|
|
0.2460000000D+00 0.1000000000D+01
|
|
Atom H3 Shell 52 D 1 bf 200 - 204 -2.064624975089 1.847465053989 0.000000000000
|
|
0.2950000000D+01 0.1000000000D+01
|
|
Atom H3 Shell 53 D 1 bf 205 - 209 -2.064624975089 1.847465053989 0.000000000000
|
|
0.1206000000D+01 0.1000000000D+01
|
|
Atom H3 Shell 54 D 1 bf 210 - 214 -2.064624975089 1.847465053989 0.000000000000
|
|
0.4930000000D+00 0.1000000000D+01
|
|
Atom H3 Shell 55 F 1 bf 215 - 221 -2.064624975089 1.847465053989 0.000000000000
|
|
0.2506000000D+01 0.1000000000D+01
|
|
Atom H3 Shell 56 F 1 bf 222 - 228 -2.064624975089 1.847465053989 0.000000000000
|
|
0.8750000000D+00 0.1000000000D+01
|
|
Atom H3 Shell 57 G 1 bf 229 - 237 -2.064624975089 1.847465053989 0.000000000000
|
|
0.2358000000D+01 0.1000000000D+01
|
|
Atom H4 Shell 58 S 4 bf 238 - 238 1.641210976726 -1.985973206028 0.000000000000
|
|
0.4020000000D+03 0.5088104278D-02
|
|
0.6024000000D+02 0.3948295972D-01
|
|
0.1373000000D+02 0.2042718854D+00
|
|
0.3905000000D+01 0.8184370745D+00
|
|
Atom H4 Shell 59 S 1 bf 239 - 239 1.641210976726 -1.985973206028 0.000000000000
|
|
0.1283000000D+01 0.1000000000D+01
|
|
Atom H4 Shell 60 S 1 bf 240 - 240 1.641210976726 -1.985973206028 0.000000000000
|
|
0.4655000000D+00 0.1000000000D+01
|
|
Atom H4 Shell 61 S 1 bf 241 - 241 1.641210976726 -1.985973206028 0.000000000000
|
|
0.1811000000D+00 0.1000000000D+01
|
|
Atom H4 Shell 62 S 1 bf 242 - 242 1.641210976726 -1.985973206028 0.000000000000
|
|
0.7279000000D-01 0.1000000000D+01
|
|
Atom H4 Shell 63 P 1 bf 243 - 245 1.641210976726 -1.985973206028 0.000000000000
|
|
0.4516000000D+01 0.1000000000D+01
|
|
Atom H4 Shell 64 P 1 bf 246 - 248 1.641210976726 -1.985973206028 0.000000000000
|
|
0.1712000000D+01 0.1000000000D+01
|
|
Atom H4 Shell 65 P 1 bf 249 - 251 1.641210976726 -1.985973206028 0.000000000000
|
|
0.6490000000D+00 0.1000000000D+01
|
|
Atom H4 Shell 66 P 1 bf 252 - 254 1.641210976726 -1.985973206028 0.000000000000
|
|
0.2460000000D+00 0.1000000000D+01
|
|
Atom H4 Shell 67 D 1 bf 255 - 259 1.641210976726 -1.985973206028 0.000000000000
|
|
0.2950000000D+01 0.1000000000D+01
|
|
Atom H4 Shell 68 D 1 bf 260 - 264 1.641210976726 -1.985973206028 0.000000000000
|
|
0.1206000000D+01 0.1000000000D+01
|
|
Atom H4 Shell 69 D 1 bf 265 - 269 1.641210976726 -1.985973206028 0.000000000000
|
|
0.4930000000D+00 0.1000000000D+01
|
|
Atom H4 Shell 70 F 1 bf 270 - 276 1.641210976726 -1.985973206028 0.000000000000
|
|
0.2506000000D+01 0.1000000000D+01
|
|
Atom H4 Shell 71 F 1 bf 277 - 283 1.641210976726 -1.985973206028 0.000000000000
|
|
0.8750000000D+00 0.1000000000D+01
|
|
Atom H4 Shell 72 G 1 bf 284 - 292 1.641210976726 -1.985973206028 0.000000000000
|
|
0.2358000000D+01 0.1000000000D+01
|
|
Atom H5 Shell 73 S 4 bf 293 - 293 0.827075952253 2.049620488145 1.685197975052
|
|
0.4020000000D+03 0.5088104278D-02
|
|
0.6024000000D+02 0.3948295972D-01
|
|
0.1373000000D+02 0.2042718854D+00
|
|
0.3905000000D+01 0.8184370745D+00
|
|
Atom H5 Shell 74 S 1 bf 294 - 294 0.827075952253 2.049620488145 1.685197975052
|
|
0.1283000000D+01 0.1000000000D+01
|
|
Atom H5 Shell 75 S 1 bf 295 - 295 0.827075952253 2.049620488145 1.685197975052
|
|
0.4655000000D+00 0.1000000000D+01
|
|
Atom H5 Shell 76 S 1 bf 296 - 296 0.827075952253 2.049620488145 1.685197975052
|
|
0.1811000000D+00 0.1000000000D+01
|
|
Atom H5 Shell 77 S 1 bf 297 - 297 0.827075952253 2.049620488145 1.685197975052
|
|
0.7279000000D-01 0.1000000000D+01
|
|
Atom H5 Shell 78 P 1 bf 298 - 300 0.827075952253 2.049620488145 1.685197975052
|
|
0.4516000000D+01 0.1000000000D+01
|
|
Atom H5 Shell 79 P 1 bf 301 - 303 0.827075952253 2.049620488145 1.685197975052
|
|
0.1712000000D+01 0.1000000000D+01
|
|
Atom H5 Shell 80 P 1 bf 304 - 306 0.827075952253 2.049620488145 1.685197975052
|
|
0.6490000000D+00 0.1000000000D+01
|
|
Atom H5 Shell 81 P 1 bf 307 - 309 0.827075952253 2.049620488145 1.685197975052
|
|
0.2460000000D+00 0.1000000000D+01
|
|
Atom H5 Shell 82 D 1 bf 310 - 314 0.827075952253 2.049620488145 1.685197975052
|
|
0.2950000000D+01 0.1000000000D+01
|
|
Atom H5 Shell 83 D 1 bf 315 - 319 0.827075952253 2.049620488145 1.685197975052
|
|
0.1206000000D+01 0.1000000000D+01
|
|
Atom H5 Shell 84 D 1 bf 320 - 324 0.827075952253 2.049620488145 1.685197975052
|
|
0.4930000000D+00 0.1000000000D+01
|
|
Atom H5 Shell 85 F 1 bf 325 - 331 0.827075952253 2.049620488145 1.685197975052
|
|
0.2506000000D+01 0.1000000000D+01
|
|
Atom H5 Shell 86 F 1 bf 332 - 338 0.827075952253 2.049620488145 1.685197975052
|
|
0.8750000000D+00 0.1000000000D+01
|
|
Atom H5 Shell 87 G 1 bf 339 - 347 0.827075952253 2.049620488145 1.685197975052
|
|
0.2358000000D+01 0.1000000000D+01
|
|
Atom H6 Shell 88 S 4 bf 348 - 348 0.827075952253 2.049620488145 -1.685197975052
|
|
0.4020000000D+03 0.5088104278D-02
|
|
0.6024000000D+02 0.3948295972D-01
|
|
0.1373000000D+02 0.2042718854D+00
|
|
0.3905000000D+01 0.8184370745D+00
|
|
Atom H6 Shell 89 S 1 bf 349 - 349 0.827075952253 2.049620488145 -1.685197975052
|
|
0.1283000000D+01 0.1000000000D+01
|
|
Atom H6 Shell 90 S 1 bf 350 - 350 0.827075952253 2.049620488145 -1.685197975052
|
|
0.4655000000D+00 0.1000000000D+01
|
|
Atom H6 Shell 91 S 1 bf 351 - 351 0.827075952253 2.049620488145 -1.685197975052
|
|
0.1811000000D+00 0.1000000000D+01
|
|
Atom H6 Shell 92 S 1 bf 352 - 352 0.827075952253 2.049620488145 -1.685197975052
|
|
0.7279000000D-01 0.1000000000D+01
|
|
Atom H6 Shell 93 P 1 bf 353 - 355 0.827075952253 2.049620488145 -1.685197975052
|
|
0.4516000000D+01 0.1000000000D+01
|
|
Atom H6 Shell 94 P 1 bf 356 - 358 0.827075952253 2.049620488145 -1.685197975052
|
|
0.1712000000D+01 0.1000000000D+01
|
|
Atom H6 Shell 95 P 1 bf 359 - 361 0.827075952253 2.049620488145 -1.685197975052
|
|
0.6490000000D+00 0.1000000000D+01
|
|
Atom H6 Shell 96 P 1 bf 362 - 364 0.827075952253 2.049620488145 -1.685197975052
|
|
0.2460000000D+00 0.1000000000D+01
|
|
Atom H6 Shell 97 D 1 bf 365 - 369 0.827075952253 2.049620488145 -1.685197975052
|
|
0.2950000000D+01 0.1000000000D+01
|
|
Atom H6 Shell 98 D 1 bf 370 - 374 0.827075952253 2.049620488145 -1.685197975052
|
|
0.1206000000D+01 0.1000000000D+01
|
|
Atom H6 Shell 99 D 1 bf 375 - 379 0.827075952253 2.049620488145 -1.685197975052
|
|
0.4930000000D+00 0.1000000000D+01
|
|
Atom H6 Shell 100 F 1 bf 380 - 386 0.827075952253 2.049620488145 -1.685197975052
|
|
0.2506000000D+01 0.1000000000D+01
|
|
Atom H6 Shell 101 F 1 bf 387 - 393 0.827075952253 2.049620488145 -1.685197975052
|
|
0.8750000000D+00 0.1000000000D+01
|
|
Atom H6 Shell 102 G 1 bf 394 - 402 0.827075952253 2.049620488145 -1.685197975052
|
|
0.2358000000D+01 0.1000000000D+01
|
|
There are 322 symmetry adapted cartesian basis functions of A' symmetry.
|
|
There are 210 symmetry adapted cartesian basis functions of A" symmetry.
|
|
There are 237 symmetry adapted basis functions of A' symmetry.
|
|
There are 165 symmetry adapted basis functions of A" symmetry.
|
|
402 basis functions, 590 primitive gaussians, 532 cartesian basis functions
|
|
9 alpha electrons 9 beta electrons
|
|
nuclear repulsion energy 40.3119179814 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= 6 NActive= 6 NUniq= 5 SFac= 1.44D+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 Wed Apr 3 15:23:03 2019, MaxMem= 13421772800 cpu: 1.2
|
|
(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= 402 RedAO= T EigKep= 2.50D-05 NBF= 237 165
|
|
NBsUse= 402 1.00D-06 EigRej= -1.00D+00 NBFU= 237 165
|
|
Leave Link 302 at Wed Apr 3 15:23:03 2019, MaxMem= 13421772800 cpu: 11.9
|
|
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l303.exe)
|
|
DipDrv: MaxL=1.
|
|
Leave Link 303 at Wed Apr 3 15:23:04 2019, MaxMem= 13421772800 cpu: 1.7
|
|
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l401.exe)
|
|
ExpMin= 7.28D-02 ExpMax= 1.64D+05 ExpMxC= 5.16D+02 IAcc=2 IRadAn= 4 AccDes= 0.00D+00
|
|
Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess.
|
|
HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 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= -115.280899320864
|
|
JPrj=0 DoOrth=F DoCkMO=F.
|
|
Initial guess orbital symmetries:
|
|
Occupied (A') (A') (A') (A') (A') (A") (A') (A') (A")
|
|
Virtual (A') (A') (A') (A") (A') (A') (A") (A') (A') (A')
|
|
(A") (A") (A') (A') (A') (A') (A") (A') (A") (A')
|
|
(A") (A") (A') (A') (A') (A') (A") (A') (A') (A")
|
|
(A') (A') (A") (A') (A") (A') (A') (A') (A') (A")
|
|
(A') (A") (A') (A') (A") (A") (A") (A') (A') (A")
|
|
(A') (A") (A') (A') (A') (A") (A") (A') (A') (A")
|
|
(A') (A") (A') (A") (A') (A') (A") (A') (A") (A')
|
|
(A') (A') (A") (A') (A") (A') (A') (A") (A') (A")
|
|
(A') (A") (A') (A') (A') (A") (A') (A") (A") (A')
|
|
(A') (A') (A") (A') (A") (A') (A') (A') (A") (A")
|
|
(A') (A") (A') (A') (A') (A") (A") (A") (A') (A')
|
|
(A') (A') (A") (A") (A') (A") (A') (A') (A') (A")
|
|
(A') (A") (A') (A") (A') (A") (A') (A") (A') (A")
|
|
(A') (A') (A') (A") (A') (A') (A") (A") (A') (A")
|
|
(A') (A") (A') (A") (A') (A") (A') (A") (A") (A')
|
|
(A') (A") (A') (A') (A") (A') (A") (A') (A') (A")
|
|
(A') (A") (A') (A") (A') (A") (A') (A') (A') (A")
|
|
(A") (A') (A') (A") (A') (A') (A") (A') (A') (A")
|
|
(A") (A') (A') (A') (A') (A") (A") (A') (A") (A")
|
|
(A') (A') (A') (A") (A') (A") (A') (A") (A") (A')
|
|
(A") (A') (A') (A") (A') (A') (A") (A") (A') (A')
|
|
(A") (A') (A') (A') (A") (A') (A') (A") (A') (A")
|
|
(A") (A') (A') (A") (A') (A") (A') (A') (A') (A')
|
|
(A") (A") (A') (A") (A') (A") (A') (A") (A') (A')
|
|
(A') (A") (A') (A") (A') (A') (A') (A") (A") (A')
|
|
(A") (A') (A") (A') (A") (A') (A") (A") (A') (A')
|
|
(A") (A') (A") (A') (A") (A') (A') (A") (A") (A')
|
|
(A") (A') (A') (A") (A') (A") (A') (A") (A') (A")
|
|
(A') (A") (A') (A') (A") (A') (A") (A') (A') (A")
|
|
(A') (A") (A') (A") (A") (A') (A") (A') (A') (A")
|
|
(A') (A") (A") (A') (A") (A') (A') (A') (A") (A')
|
|
(A") (A') (A') (A") (A") (A') (A') (A') (A") (A')
|
|
(A") (A') (A') (A") (A') (A") (A') (A') (A") (A')
|
|
(A") (A') (A") (A') (A") (A') (A") (A') (A") (A")
|
|
(A') (A') (A") (A') (A') (A") (A") (A') (A') (A")
|
|
(A") (A') (A') (A") (A') (A") (A') (A') (A') (A")
|
|
(A") (A') (A') (A') (A") (A") (A') (A') (A') (A")
|
|
(A') (A") (A') (A") (A') (A") (A") (A') (A') (A")
|
|
(A') (A') (A') (A") (A') (A") (A') (A") (A') (A')
|
|
(A') (A') (A')
|
|
The electronic state of the initial guess is 1-A'.
|
|
Leave Link 401 at Wed Apr 3 15:23:04 2019, MaxMem= 13421772800 cpu: 20.3
|
|
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l502.exe)
|
|
Restricted open shell SCF:
|
|
Using DIIS extrapolation, IDIIS= 1040.
|
|
Integral symmetry usage will be decided dynamically.
|
|
Keep R1 and R2 ints in memory in symmetry-blocked form, NReq=4928138228.
|
|
IVT= 884606 IEndB= 884606 NGot= 13421772800 MDV= 10135997191
|
|
LenX= 10135997191 LenY= 10135713635
|
|
Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
|
|
Requested convergence on MAX density matrix=1.00D-06.
|
|
Requested convergence on energy=1.00D-06.
|
|
No special actions if energy rises.
|
|
FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0
|
|
NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T
|
|
wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0
|
|
NMat0= 1 NMatS0= 81003 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0
|
|
Petite list used in FoFCou.
|
|
|
|
Cycle 1 Pass 1 IDiag 1:
|
|
E= -114.975318637299
|
|
DIIS: error= 3.27D-02 at cycle 1 NSaved= 1.
|
|
NSaved= 1 IEnMin= 1 EnMin= -114.975318637299 IErMin= 1 ErrMin= 3.27D-02
|
|
ErrMax= 3.27D-02 0.00D+00 EMaxC= 1.00D-01 BMatC= 2.84D-01 BMatP= 2.84D-01
|
|
IDIUse=3 WtCom= 6.73D-01 WtEn= 3.27D-01
|
|
Coeff-Com: 0.100D+01
|
|
Coeff-En: 0.100D+01
|
|
Coeff: 0.100D+01
|
|
Gap= 0.526 Goal= None Shift= 0.000
|
|
GapD= 0.526 DampG=2.000 DampE=0.500 DampFc=1.0000 IDamp=-1.
|
|
RMSDP=7.05D-04 MaxDP=5.10D-02 OVMax= 1.04D-01
|
|
|
|
Cycle 2 Pass 1 IDiag 1:
|
|
E= -115.074553648996 Delta-E= -0.099235011697 Rises=F Damp=F
|
|
DIIS: error= 2.14D-02 at cycle 2 NSaved= 2.
|
|
NSaved= 2 IEnMin= 2 EnMin= -115.074553648996 IErMin= 2 ErrMin= 2.14D-02
|
|
ErrMax= 2.14D-02 0.00D+00 EMaxC= 1.00D-01 BMatC= 3.87D-02 BMatP= 2.84D-01
|
|
IDIUse=3 WtCom= 7.86D-01 WtEn= 2.14D-01
|
|
Coeff-Com: 0.201D+00 0.799D+00
|
|
Coeff-En: 0.000D+00 0.100D+01
|
|
Coeff: 0.158D+00 0.842D+00
|
|
Gap= 0.579 Goal= None Shift= 0.000
|
|
RMSDP=3.15D-04 MaxDP=1.75D-02 DE=-9.92D-02 OVMax= 4.87D-02
|
|
|
|
Cycle 3 Pass 1 IDiag 1:
|
|
E= -115.097726510737 Delta-E= -0.023172861740 Rises=F Damp=F
|
|
DIIS: error= 5.77D-03 at cycle 3 NSaved= 3.
|
|
NSaved= 3 IEnMin= 3 EnMin= -115.097726510737 IErMin= 3 ErrMin= 5.77D-03
|
|
ErrMax= 5.77D-03 0.00D+00 EMaxC= 1.00D-01 BMatC= 5.07D-03 BMatP= 3.87D-02
|
|
IDIUse=3 WtCom= 9.42D-01 WtEn= 5.77D-02
|
|
Coeff-Com: -0.203D-01 0.239D+00 0.781D+00
|
|
Coeff-En: 0.000D+00 0.000D+00 0.100D+01
|
|
Coeff: -0.191D-01 0.225D+00 0.794D+00
|
|
Gap= 0.541 Goal= None Shift= 0.000
|
|
RMSDP=7.19D-05 MaxDP=5.11D-03 DE=-2.32D-02 OVMax= 1.40D-02
|
|
|
|
Cycle 4 Pass 1 IDiag 1:
|
|
E= -115.100875317800 Delta-E= -0.003148807064 Rises=F Damp=F
|
|
DIIS: error= 8.08D-04 at cycle 4 NSaved= 4.
|
|
NSaved= 4 IEnMin= 4 EnMin= -115.100875317800 IErMin= 4 ErrMin= 8.08D-04
|
|
ErrMax= 8.08D-04 0.00D+00 EMaxC= 1.00D-01 BMatC= 1.12D-04 BMatP= 5.07D-03
|
|
IDIUse=3 WtCom= 9.92D-01 WtEn= 8.08D-03
|
|
Coeff-Com: -0.802D-02 0.345D-01 0.190D+00 0.783D+00
|
|
Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.100D+01
|
|
Coeff: -0.795D-02 0.342D-01 0.189D+00 0.785D+00
|
|
Gap= 0.539 Goal= None Shift= 0.000
|
|
RMSDP=1.57D-05 MaxDP=9.62D-04 DE=-3.15D-03 OVMax= 2.87D-03
|
|
|
|
Cycle 5 Pass 1 IDiag 1:
|
|
E= -115.100968766036 Delta-E= -0.000093448236 Rises=F Damp=F
|
|
DIIS: error= 2.08D-04 at cycle 5 NSaved= 5.
|
|
NSaved= 5 IEnMin= 5 EnMin= -115.100968766036 IErMin= 5 ErrMin= 2.08D-04
|
|
ErrMax= 2.08D-04 0.00D+00 EMaxC= 1.00D-01 BMatC= 6.20D-06 BMatP= 1.12D-04
|
|
IDIUse=3 WtCom= 9.98D-01 WtEn= 2.08D-03
|
|
Coeff-Com: 0.130D-02-0.178D-01-0.585D-01 0.272D-01 0.105D+01
|
|
Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.100D+01
|
|
Coeff: 0.130D-02-0.178D-01-0.584D-01 0.272D-01 0.105D+01
|
|
Gap= 0.540 Goal= None Shift= 0.000
|
|
RMSDP=7.96D-06 MaxDP=4.61D-04 DE=-9.34D-05 OVMax= 8.97D-04
|
|
|
|
Cycle 6 Pass 1 IDiag 1:
|
|
E= -115.100977882122 Delta-E= -0.000009116086 Rises=F Damp=F
|
|
DIIS: error= 4.19D-05 at cycle 6 NSaved= 6.
|
|
NSaved= 6 IEnMin= 6 EnMin= -115.100977882122 IErMin= 6 ErrMin= 4.19D-05
|
|
ErrMax= 4.19D-05 0.00D+00 EMaxC= 1.00D-01 BMatC= 2.73D-07 BMatP= 6.20D-06
|
|
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
|
|
Coeff-Com: 0.479D-03-0.215D-02-0.978D-02-0.497D-01-0.930D-01 0.115D+01
|
|
Coeff: 0.479D-03-0.215D-02-0.978D-02-0.497D-01-0.930D-01 0.115D+01
|
|
Gap= 0.540 Goal= None Shift= 0.000
|
|
RMSDP=2.74D-06 MaxDP=1.72D-04 DE=-9.12D-06 OVMax= 3.37D-04
|
|
|
|
Cycle 7 Pass 1 IDiag 1:
|
|
E= -115.100978562407 Delta-E= -0.000000680285 Rises=F Damp=F
|
|
DIIS: error= 8.98D-06 at cycle 7 NSaved= 7.
|
|
NSaved= 7 IEnMin= 7 EnMin= -115.100978562407 IErMin= 7 ErrMin= 8.98D-06
|
|
ErrMax= 8.98D-06 0.00D+00 EMaxC= 1.00D-01 BMatC= 1.20D-08 BMatP= 2.73D-07
|
|
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
|
|
Coeff-Com: -0.178D-03 0.127D-02 0.524D-02 0.107D-01-0.143D-01-0.316D+00
|
|
Coeff-Com: 0.131D+01
|
|
Coeff: -0.178D-03 0.127D-02 0.524D-02 0.107D-01-0.143D-01-0.316D+00
|
|
Coeff: 0.131D+01
|
|
Gap= 0.540 Goal= None Shift= 0.000
|
|
RMSDP=5.80D-07 MaxDP=2.53D-05 DE=-6.80D-07 OVMax= 9.53D-05
|
|
|
|
Cycle 8 Pass 1 IDiag 1:
|
|
E= -115.100978594929 Delta-E= -0.000000032522 Rises=F Damp=F
|
|
DIIS: error= 1.74D-06 at cycle 8 NSaved= 8.
|
|
NSaved= 8 IEnMin= 8 EnMin= -115.100978594929 IErMin= 8 ErrMin= 1.74D-06
|
|
ErrMax= 1.74D-06 0.00D+00 EMaxC= 1.00D-01 BMatC= 4.54D-10 BMatP= 1.20D-08
|
|
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
|
|
Coeff-Com: 0.215D-04-0.190D-03-0.869D-03-0.122D-02 0.541D-02 0.492D-01
|
|
Coeff-Com: -0.378D+00 0.133D+01
|
|
Coeff: 0.215D-04-0.190D-03-0.869D-03-0.122D-02 0.541D-02 0.492D-01
|
|
Coeff: -0.378D+00 0.133D+01
|
|
Gap= 0.540 Goal= None Shift= 0.000
|
|
RMSDP=1.13D-07 MaxDP=8.44D-06 DE=-3.25D-08 OVMax= 2.09D-05
|
|
|
|
Cycle 9 Pass 1 IDiag 1:
|
|
E= -115.100978596218 Delta-E= -0.000000001289 Rises=F Damp=F
|
|
DIIS: error= 3.80D-07 at cycle 9 NSaved= 9.
|
|
NSaved= 9 IEnMin= 9 EnMin= -115.100978596218 IErMin= 9 ErrMin= 3.80D-07
|
|
ErrMax= 3.80D-07 0.00D+00 EMaxC= 1.00D-01 BMatC= 1.32D-11 BMatP= 4.54D-10
|
|
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
|
|
Coeff-Com: -0.132D-05 0.200D-04 0.116D-03-0.414D-04-0.163D-02-0.251D-02
|
|
Coeff-Com: 0.638D-01-0.365D+00 0.131D+01
|
|
Coeff: -0.132D-05 0.200D-04 0.116D-03-0.414D-04-0.163D-02-0.251D-02
|
|
Coeff: 0.638D-01-0.365D+00 0.131D+01
|
|
Gap= 0.540 Goal= None Shift= 0.000
|
|
RMSDP=2.57D-08 MaxDP=1.73D-06 DE=-1.29D-09 OVMax= 2.96D-06
|
|
|
|
Cycle 10 Pass 1 IDiag 1:
|
|
E= -115.100978596257 Delta-E= -0.000000000039 Rises=F Damp=F
|
|
DIIS: error= 6.95D-08 at cycle 10 NSaved= 10.
|
|
NSaved=10 IEnMin=10 EnMin= -115.100978596257 IErMin=10 ErrMin= 6.95D-08
|
|
ErrMax= 6.95D-08 0.00D+00 EMaxC= 1.00D-01 BMatC= 4.80D-13 BMatP= 1.32D-11
|
|
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
|
|
Coeff-Com: -0.391D-06 0.269D-05 0.628D-05 0.454D-04 0.572D-04-0.833D-03
|
|
Coeff-Com: 0.193D-02 0.104D-01-0.195D+00 0.118D+01
|
|
Coeff: -0.391D-06 0.269D-05 0.628D-05 0.454D-04 0.572D-04-0.833D-03
|
|
Coeff: 0.193D-02 0.104D-01-0.195D+00 0.118D+01
|
|
Gap= 0.540 Goal= None Shift= 0.000
|
|
RMSDP=4.78D-09 MaxDP=2.59D-07 DE=-3.89D-11 OVMax= 5.54D-07
|
|
|
|
SCF Done: E(ROHF) = -115.100978596 A.U. after 10 cycles
|
|
NFock= 10 Conv=0.48D-08 -V/T= 2.0013
|
|
<Sx>= 0.0000 <Sy>= 0.0000 <Sz>= 0.0000 <S**2>= 0.0000 S= 0.0000
|
|
<L.S>= 0.000000000000E+00
|
|
KE= 1.149554260802D+02 PE=-3.518394179247D+02 EE= 8.147109526687D+01
|
|
Annihilation of the first spin contaminant:
|
|
S**2 before annihilation 0.0000, after 0.0000
|
|
Leave Link 502 at Wed Apr 3 15:24:17 2019, MaxMem= 13421772800 cpu: 1744.3
|
|
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l801.exe)
|
|
Windowed orbitals will be sorted by symmetry type.
|
|
GenMOA: NOpAll= 2 NOp2=2 NOpUse= 2 JSym2X=1
|
|
FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F
|
|
IRaf= 0 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 1.
|
|
FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0
|
|
NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T
|
|
wScrn= 0.000000 ICntrl= 0 IOpCl= 1 I1Cent= 0 NGrid= 0
|
|
NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0
|
|
Petite list used in FoFCou.
|
|
<Sx>= 0.0000 <Sy>= 0.0000 <Sz>= 0.0000 <S**2>= 0.0000 S= 0.0000
|
|
ExpMin= 7.28D-02 ExpMax= 1.64D+05 ExpMxC= 5.16D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00
|
|
HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV=-2 UseB2=F ITyADJ=14
|
|
ICtDFT= 12500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000
|
|
DSYEVD-2 returned Info= 4323 IAlg= 4 N= 91 NDim= 91 NE2= 147485746 trying DSYEV.
|
|
Largest valence mixing into a core orbital is 2.08D-04
|
|
Largest core mixing into a valence orbital is 2.86D-05
|
|
Largest valence mixing into a core orbital is 2.08D-04
|
|
Largest core mixing into a valence orbital is 2.86D-05
|
|
Range of M.O.s used for correlation: 3 402
|
|
NBasis= 402 NAE= 9 NBE= 9 NFC= 2 NFV= 0
|
|
NROrb= 400 NOA= 7 NOB= 7 NVA= 393 NVB= 393
|
|
|
|
**** Warning!!: The largest alpha MO coefficient is 0.50885504D+02
|
|
|
|
|
|
**** Warning!!: The largest beta MO coefficient is 0.50885504D+02
|
|
|
|
Singles contribution to E2= -0.4150573059D-13
|
|
Leave Link 801 at Wed Apr 3 15:24:38 2019, MaxMem= 13421772800 cpu: 506.8
|
|
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l804.exe)
|
|
Open-shell transformation, MDV= 13421772800 ITran=4 ISComp=2.
|
|
Semi-Direct transformation.
|
|
ModeAB= 4 MOrb= 7 LenV= 13417023016
|
|
LASXX= 110800964 LTotXX= 110800964 LenRXX= 222515789
|
|
LTotAB= 111714825 MaxLAS= 311822000 LenRXY= 0
|
|
NonZer= 333316753 LenScr= 500301824 LnRSAI= 311822000
|
|
LnScr1= 468320256 LExtra= 0 Total= 1502959869
|
|
MaxDsk= -1 SrtSym= T ITran= 4
|
|
DoSDTr: NPSUse= 24
|
|
JobTyp=1 Pass 1: I= 1 to 7.
|
|
(rs|ai) integrals will be sorted in core.
|
|
Complete sort for first half transformation.
|
|
First half transformation complete.
|
|
Complete sort for second half transformation.
|
|
Second half transformation complete.
|
|
ModeAB= 4 MOrb= 7 LenV= 13417023016
|
|
LASXX= 110800964 LTotXX= 110800964 LenRXX= 218632528
|
|
LTotAB= 107831564 MaxLAS= 311822000 LenRXY= 0
|
|
NonZer= 329433492 LenScr= 494796800 LnRSAI= 311822000
|
|
LnScr1= 468320256 LExtra= 0 Total= 1493571584
|
|
MaxDsk= -1 SrtSym= T ITran= 4
|
|
DoSDTr: NPSUse= 24
|
|
JobTyp=2 Pass 1: I= 1 to 7.
|
|
(rs|ai) integrals will be sorted in core.
|
|
Complete sort for first half transformation.
|
|
First half transformation complete.
|
|
Complete sort for second half transformation.
|
|
Second half transformation complete.
|
|
Spin components of T(2) and E(2):
|
|
alpha-alpha T2 = 0.1381802412D-01 E2= -0.5191535454D-01
|
|
alpha-beta T2 = 0.8908680216D-01 E2= -0.3682260831D+00
|
|
beta-beta T2 = 0.1381802412D-01 E2= -0.5191535454D-01
|
|
ANorm= 0.1056751083D+01
|
|
E2 = -0.4720567922D+00 EUMP2 = -0.11557303538845D+03
|
|
(S**2,0)= 0.00000D+00 (S**2,1)= 0.00000D+00
|
|
E(PUHF)= -0.11510097860D+03 E(PMP2)= -0.11557303539D+03
|
|
Leave Link 804 at Wed Apr 3 15:27:18 2019, MaxMem= 13421772800 cpu: 3812.8
|
|
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l913.exe)
|
|
CIDS: MDV= 13421772800.
|
|
Frozen-core window: NFC= 2 NFV= 0.
|
|
IFCWin=0 IBDFC=1 NFBD= 0 0 NFCmp= 0 0 NFFFC= 0 0
|
|
Using original routines for 1st iteration, S=T.
|
|
Using DD4UQ or CC4UQ for 2nd and later iterations.
|
|
Keep R2 and R3 ints in memory in symmetry-blocked form, NReq=4927255808.
|
|
FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0
|
|
NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T
|
|
wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0
|
|
NMat0= 1 NMatS0= 81003 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0
|
|
Petite list used in FoFCou.
|
|
CCSD(T)
|
|
=======
|
|
Iterations= 50 Convergence= 0.100D-06
|
|
Iteration Nr. 1
|
|
**********************
|
|
DD1Dir will call FoFMem 1 times, MxPair= 140
|
|
NAB= 49 NAA= 21 NBB= 21.
|
|
DD1Dir will call FoFMem 1 times, MxPair= 140
|
|
NAB= 49 NAA= 21 NBB= 21.
|
|
MP4(R+Q)= 0.17746036D-01
|
|
Maximum subspace dimension= 5
|
|
Norm of the A-vectors is 9.0555670D-02 conv= 1.00D-05.
|
|
RLE energy= -0.4626808035
|
|
E3= -0.81800477D-02 EROMP3= -0.11558121544D+03
|
|
E4(SDQ)= -0.29571295D-02 ROMP4(SDQ)= -0.11558417257D+03
|
|
VARIATIONAL ENERGIES WITH THE FIRST-ORDER WAVEFUNCTION:
|
|
DE(Corr)= -0.46249080 E(Corr)= -115.56346940
|
|
NORM(A)= 0.10539620D+01
|
|
Iteration Nr. 2
|
|
**********************
|
|
DD1Dir will call FoFMem 1 times, MxPair= 140
|
|
NAB= 49 NAA= 21 NBB= 21.
|
|
Norm of the A-vectors is 4.3463824D-01 conv= 1.00D-05.
|
|
RLE energy= -0.4642978864
|
|
DE(Corr)= -0.47044665 E(CORR)= -115.57142525 Delta=-7.96D-03
|
|
NORM(A)= 0.10546131D+01
|
|
Iteration Nr. 3
|
|
**********************
|
|
DD1Dir will call FoFMem 1 times, MxPair= 140
|
|
NAB= 49 NAA= 21 NBB= 21.
|
|
Norm of the A-vectors is 3.5818916D-01 conv= 1.00D-05.
|
|
RLE energy= -0.4733556516
|
|
DE(Corr)= -0.47260788 E(CORR)= -115.57358648 Delta=-2.16D-03
|
|
NORM(A)= 0.10583653D+01
|
|
Iteration Nr. 4
|
|
**********************
|
|
DD1Dir will call FoFMem 1 times, MxPair= 140
|
|
NAB= 49 NAA= 21 NBB= 21.
|
|
Norm of the A-vectors is 2.0771784D-01 conv= 1.00D-05.
|
|
RLE energy= -0.4855404507
|
|
DE(Corr)= -0.47683108 E(CORR)= -115.57780967 Delta=-4.22D-03
|
|
NORM(A)= 0.10659112D+01
|
|
Iteration Nr. 5
|
|
**********************
|
|
DD1Dir will call FoFMem 1 times, MxPair= 140
|
|
NAB= 49 NAA= 21 NBB= 21.
|
|
Norm of the A-vectors is 6.6224544D-02 conv= 1.00D-05.
|
|
RLE energy= -0.4823366687
|
|
DE(Corr)= -0.48446822 E(CORR)= -115.58544681 Delta=-7.64D-03
|
|
NORM(A)= 0.10638247D+01
|
|
Iteration Nr. 6
|
|
**********************
|
|
DD1Dir will call FoFMem 1 times, MxPair= 140
|
|
NAB= 49 NAA= 21 NBB= 21.
|
|
Norm of the A-vectors is 8.8385988D-03 conv= 1.00D-05.
|
|
RLE energy= -0.4826917368
|
|
DE(Corr)= -0.48246303 E(CORR)= -115.58344162 Delta= 2.01D-03
|
|
NORM(A)= 0.10640776D+01
|
|
Iteration Nr. 7
|
|
**********************
|
|
DD1Dir will call FoFMem 1 times, MxPair= 140
|
|
NAB= 49 NAA= 21 NBB= 21.
|
|
Norm of the A-vectors is 9.1895090D-04 conv= 1.00D-05.
|
|
RLE energy= -0.4826867196
|
|
DE(Corr)= -0.48268640 E(CORR)= -115.58366500 Delta=-2.23D-04
|
|
NORM(A)= 0.10640810D+01
|
|
Iteration Nr. 8
|
|
**********************
|
|
DD1Dir will call FoFMem 1 times, MxPair= 140
|
|
NAB= 49 NAA= 21 NBB= 21.
|
|
Norm of the A-vectors is 4.1039582D-04 conv= 1.00D-05.
|
|
RLE energy= -0.4826875263
|
|
DE(Corr)= -0.48268938 E(CORR)= -115.58366798 Delta=-2.98D-06
|
|
NORM(A)= 0.10640800D+01
|
|
Iteration Nr. 9
|
|
**********************
|
|
DD1Dir will call FoFMem 1 times, MxPair= 140
|
|
NAB= 49 NAA= 21 NBB= 21.
|
|
Norm of the A-vectors is 1.4542502D-04 conv= 1.00D-05.
|
|
RLE energy= -0.4826876399
|
|
DE(Corr)= -0.48268707 E(CORR)= -115.58366566 Delta= 2.32D-06
|
|
NORM(A)= 0.10640803D+01
|
|
Iteration Nr. 10
|
|
**********************
|
|
DD1Dir will call FoFMem 1 times, MxPair= 140
|
|
NAB= 49 NAA= 21 NBB= 21.
|
|
Norm of the A-vectors is 6.3414989D-05 conv= 1.00D-05.
|
|
RLE energy= -0.4826871165
|
|
DE(Corr)= -0.48268747 E(CORR)= -115.58366607 Delta=-4.04D-07
|
|
NORM(A)= 0.10640802D+01
|
|
Iteration Nr. 11
|
|
**********************
|
|
DD1Dir will call FoFMem 1 times, MxPair= 140
|
|
NAB= 49 NAA= 21 NBB= 21.
|
|
Norm of the A-vectors is 2.3228476D-05 conv= 1.00D-05.
|
|
RLE energy= -0.4826873558
|
|
DE(Corr)= -0.48268735 E(CORR)= -115.58366595 Delta= 1.19D-07
|
|
NORM(A)= 0.10640803D+01
|
|
Iteration Nr. 12
|
|
**********************
|
|
DD1Dir will call FoFMem 1 times, MxPair= 140
|
|
NAB= 49 NAA= 21 NBB= 21.
|
|
Norm of the A-vectors is 5.9960071D-06 conv= 1.00D-05.
|
|
RLE energy= -0.4826873777
|
|
DE(Corr)= -0.48268737 E(CORR)= -115.58366597 Delta=-2.02D-08
|
|
NORM(A)= 0.10640803D+01
|
|
CI/CC converged in 12 iterations to DelEn=-2.02D-08 Conv= 1.00D-07 ErrA1= 6.00D-06 Conv= 1.00D-05
|
|
Largest amplitude= 2.39D-02
|
|
Time for triples= 362583.78 seconds.
|
|
T4(CCSD)= -0.17963372D-01
|
|
T5(CCSD)= 0.55082908D-03
|
|
CCSD(T)= -0.11560107851D+03
|
|
Discarding MO integrals.
|
|
Leave Link 913 at Wed Apr 3 20:16:59 2019, MaxMem= 13421772800 cpu: 404582.6
|
|
(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 (A') (A') (A') (A') (A') (A") (A') (A') (A")
|
|
Virtual (A') (A') (A") (A') (A') (A') (A") (A') (A') (A")
|
|
(A') (A') (A') (A") (A') (A') (A") (A') (A") (A')
|
|
(A") (A") (A') (A') (A') (A") (A') (A') (A") (A')
|
|
(A') (A') (A") (A') (A") (A') (A') (A') (A') (A")
|
|
(A') (A") (A') (A') (A") (A") (A") (A') (A') (A")
|
|
(A') (A') (A") (A') (A") (A') (A") (A') (A") (A')
|
|
(A") (A') (A') (A") (A') (A') (A") (A') (A") (A')
|
|
(A') (A') (A') (A") (A") (A') (A') (A") (A') (A")
|
|
(A') (A") (A') (A') (A') (A") (A") (A') (A") (A')
|
|
(A') (A') (A") (A') (A") (A') (A') (A") (A') (A")
|
|
(A') (A') (A") (A') (A') (A") (A") (A") (A') (A')
|
|
(A') (A') (A") (A") (A") (A') (A') (A') (A') (A")
|
|
(A") (A') (A") (A') (A') (A") (A') (A') (A") (A")
|
|
(A') (A') (A") (A') (A") (A') (A') (A') (A") (A")
|
|
(A") (A') (A') (A") (A') (A") (A') (A") (A") (A')
|
|
(A') (A') (A') (A") (A") (A") (A') (A') (A') (A")
|
|
(A') (A") (A') (A") (A') (A") (A') (A') (A') (A")
|
|
(A") (A') (A') (A") (A') (A') (A") (A') (A') (A")
|
|
(A") (A') (A') (A') (A') (A") (A") (A') (A") (A")
|
|
(A') (A') (A') (A") (A') (A") (A') (A") (A") (A')
|
|
(A") (A') (A') (A") (A') (A") (A') (A') (A") (A")
|
|
(A') (A') (A') (A') (A") (A') (A') (A") (A') (A")
|
|
(A") (A') (A') (A") (A') (A") (A') (A') (A') (A")
|
|
(A') (A") (A') (A") (A') (A") (A') (A") (A') (A')
|
|
(A') (A") (A') (A") (A') (A') (A') (A") (A") (A')
|
|
(A") (A") (A') (A') (A") (A") (A') (A") (A') (A")
|
|
(A') (A") (A') (A') (A") (A') (A") (A') (A") (A')
|
|
(A") (A') (A") (A') (A') (A") (A") (A') (A') (A")
|
|
(A") (A') (A') (A') (A") (A') (A') (A") (A") (A')
|
|
(A') (A") (A") (A') (A") (A') (A") (A') (A') (A')
|
|
(A") (A") (A') (A") (A') (A") (A') (A') (A") (A')
|
|
(A") (A') (A') (A") (A') (A") (A") (A') (A') (A')
|
|
(A") (A') (A') (A') (A") (A") (A') (A") (A') (A')
|
|
(A") (A') (A") (A') (A") (A') (A") (A') (A') (A")
|
|
(A") (A') (A") (A') (A") (A') (A") (A') (A') (A")
|
|
(A') (A") (A') (A") (A') (A") (A') (A') (A") (A')
|
|
(A") (A') (A") (A') (A') (A') (A") (A') (A') (A")
|
|
(A') (A") (A') (A") (A') (A") (A") (A') (A") (A')
|
|
(A') (A') (A') (A") (A') (A") (A') (A") (A') (A')
|
|
(A') (A') (A')
|
|
The electronic state is 1-A'.
|
|
Alpha occ. eigenvalues -- -20.55691 -11.27195 -1.35897 -0.92331 -0.69223
|
|
Alpha occ. eigenvalues -- -0.61892 -0.59412 -0.50328 -0.45122
|
|
Alpha virt. eigenvalues -- 0.08868 0.12083 0.14022 0.14622 0.19263
|
|
Alpha virt. eigenvalues -- 0.21483 0.22809 0.32921 0.37564 0.38971
|
|
Alpha virt. eigenvalues -- 0.41017 0.42193 0.43378 0.44818 0.46910
|
|
Alpha virt. eigenvalues -- 0.49618 0.53383 0.55004 0.57049 0.59793
|
|
Alpha virt. eigenvalues -- 0.61828 0.66445 0.69315 0.73662 0.75759
|
|
Alpha virt. eigenvalues -- 0.80337 0.81868 0.87173 0.88381 0.88505
|
|
Alpha virt. eigenvalues -- 0.92142 0.94542 0.96095 1.00120 1.04006
|
|
Alpha virt. eigenvalues -- 1.04055 1.08353 1.11713 1.17504 1.20497
|
|
Alpha virt. eigenvalues -- 1.21528 1.26593 1.34000 1.40991 1.43953
|
|
Alpha virt. eigenvalues -- 1.45064 1.45822 1.49533 1.53148 1.56799
|
|
Alpha virt. eigenvalues -- 1.60965 1.64324 1.65148 1.66588 1.76566
|
|
Alpha virt. eigenvalues -- 1.76922 1.78029 1.82386 1.85803 1.87931
|
|
Alpha virt. eigenvalues -- 1.91093 1.91536 1.97184 1.99604 2.00602
|
|
Alpha virt. eigenvalues -- 2.03339 2.04879 2.07913 2.08960 2.15108
|
|
Alpha virt. eigenvalues -- 2.16522 2.21941 2.24213 2.24833 2.25905
|
|
Alpha virt. eigenvalues -- 2.29680 2.32785 2.35940 2.41456 2.44746
|
|
Alpha virt. eigenvalues -- 2.46041 2.49900 2.55718 2.62704 2.66722
|
|
Alpha virt. eigenvalues -- 2.66996 2.75187 2.75896 2.82574 2.84767
|
|
Alpha virt. eigenvalues -- 2.91087 3.00089 3.05012 3.14771 3.17203
|
|
Alpha virt. eigenvalues -- 3.21618 3.22970 3.26531 3.28650 3.32724
|
|
Alpha virt. eigenvalues -- 3.33507 3.41154 3.43276 3.48134 3.52307
|
|
Alpha virt. eigenvalues -- 3.52625 3.66323 3.71039 3.73657 3.80213
|
|
Alpha virt. eigenvalues -- 3.83191 3.84434 3.85337 3.92592 3.97374
|
|
Alpha virt. eigenvalues -- 4.01179 4.05276 4.07073 4.14246 4.16595
|
|
Alpha virt. eigenvalues -- 4.18012 4.22560 4.24171 4.25213 4.28222
|
|
Alpha virt. eigenvalues -- 4.36067 4.46116 4.48732 4.49635 4.53655
|
|
Alpha virt. eigenvalues -- 4.57549 4.63606 4.67809 4.69610 4.72630
|
|
Alpha virt. eigenvalues -- 4.74367 4.76377 4.80569 4.80694 4.84445
|
|
Alpha virt. eigenvalues -- 4.87676 4.88795 4.91908 4.92477 4.94595
|
|
Alpha virt. eigenvalues -- 4.95874 5.01067 5.08033 5.12977 5.15480
|
|
Alpha virt. eigenvalues -- 5.19144 5.26384 5.28269 5.32543 5.41371
|
|
Alpha virt. eigenvalues -- 5.42869 5.43380 5.48182 5.49805 5.51413
|
|
Alpha virt. eigenvalues -- 5.56372 5.58055 5.63298 5.67741 5.73669
|
|
Alpha virt. eigenvalues -- 5.79279 5.82186 5.87907 5.95667 5.95806
|
|
Alpha virt. eigenvalues -- 5.98027 6.06575 6.09527 6.16016 6.16615
|
|
Alpha virt. eigenvalues -- 6.34881 6.35546 6.40599 6.45066 6.52532
|
|
Alpha virt. eigenvalues -- 6.61698 6.70689 6.77433 6.79472 6.90984
|
|
Alpha virt. eigenvalues -- 6.93798 7.07266 7.08332 7.12846 7.19461
|
|
Alpha virt. eigenvalues -- 7.19928 7.26415 7.33129 7.41335 7.43989
|
|
Alpha virt. eigenvalues -- 7.48647 7.52607 7.54794 7.68559 7.68947
|
|
Alpha virt. eigenvalues -- 7.76372 7.79383 7.91333 7.96923 7.99818
|
|
Alpha virt. eigenvalues -- 8.07142 8.08388 8.18696 8.25824 8.32872
|
|
Alpha virt. eigenvalues -- 8.35432 8.59625 8.61565 8.88607 9.05026
|
|
Alpha virt. eigenvalues -- 9.28414 9.44232 9.49599 9.55009 9.57750
|
|
Alpha virt. eigenvalues -- 9.62210 9.69023 9.75985 9.83742 9.87550
|
|
Alpha virt. eigenvalues -- 9.91885 9.93302 10.09487 10.25171 10.32401
|
|
Alpha virt. eigenvalues -- 10.32886 10.43035 10.46305 10.48319 10.53119
|
|
Alpha virt. eigenvalues -- 10.57324 10.62606 10.78166 10.89644 10.91078
|
|
Alpha virt. eigenvalues -- 11.33731 11.33857 11.38122 11.44156 11.52300
|
|
Alpha virt. eigenvalues -- 11.60997 11.78277 11.80256 11.82832 12.07550
|
|
Alpha virt. eigenvalues -- 12.45141 12.48614 12.48644 12.51854 12.62829
|
|
Alpha virt. eigenvalues -- 12.66968 12.68512 12.71051 12.73737 12.74674
|
|
Alpha virt. eigenvalues -- 12.75025 12.78703 12.79019 12.83481 12.84213
|
|
Alpha virt. eigenvalues -- 12.88699 12.91868 12.94766 12.97099 12.97835
|
|
Alpha virt. eigenvalues -- 13.00634 13.00723 13.04161 13.09374 13.11289
|
|
Alpha virt. eigenvalues -- 13.15514 13.16739 13.26059 13.32782 13.36745
|
|
Alpha virt. eigenvalues -- 13.38590 13.39758 13.50533 13.55073 13.58050
|
|
Alpha virt. eigenvalues -- 13.61409 13.68927 13.69550 13.75388 13.82060
|
|
Alpha virt. eigenvalues -- 13.83281 13.83486 14.03121 14.03223 14.06225
|
|
Alpha virt. eigenvalues -- 14.08320 14.10271 14.13013 14.15204 14.19426
|
|
Alpha virt. eigenvalues -- 14.25199 14.28379 14.34625 14.36477 14.36527
|
|
Alpha virt. eigenvalues -- 14.38660 14.40639 14.42847 14.44446 14.47759
|
|
Alpha virt. eigenvalues -- 14.48556 14.55700 14.61079 14.72247 14.74009
|
|
Alpha virt. eigenvalues -- 14.76208 14.81370 14.83307 14.86427 14.92412
|
|
Alpha virt. eigenvalues -- 14.94899 15.05778 15.16856 15.38149 15.44435
|
|
Alpha virt. eigenvalues -- 15.48805 15.56312 15.72695 15.74178 15.77655
|
|
Alpha virt. eigenvalues -- 15.89052 15.92256 16.01363 16.09886 16.15701
|
|
Alpha virt. eigenvalues -- 16.21587 16.41859 16.42990 16.69708 16.77102
|
|
Alpha virt. eigenvalues -- 16.78303 16.81602 16.99203 17.33605 17.47621
|
|
Alpha virt. eigenvalues -- 17.57000 17.57034 17.75321 17.79946 17.88724
|
|
Alpha virt. eigenvalues -- 17.89240 17.95395 17.96760 17.99134 18.09780
|
|
Alpha virt. eigenvalues -- 18.26702 18.30190 18.33663 18.45132 18.51406
|
|
Alpha virt. eigenvalues -- 18.62923 18.83551 18.87660 18.93669 18.94164
|
|
Alpha virt. eigenvalues -- 19.01455 19.04917 19.15233 19.30637 19.45623
|
|
Alpha virt. eigenvalues -- 19.54240 19.67856 19.71434 19.86938 20.11607
|
|
Alpha virt. eigenvalues -- 20.20337 20.35056 20.73692 20.76455 20.78768
|
|
Alpha virt. eigenvalues -- 21.04227 21.08609 21.42050 22.71357 22.97178
|
|
Alpha virt. eigenvalues -- 23.16056 23.47824 23.80112 24.11517 25.44481
|
|
Alpha virt. eigenvalues -- 26.14494 42.59284 64.99568
|
|
Molecular Orbital Coefficients:
|
|
1 2 3 4 5
|
|
O O O O O
|
|
Eigenvalues -- -20.55691 -11.27195 -1.35897 -0.92331 -0.69223
|
|
1 1 C 1S 0.00000 0.56564 -0.03643 -0.09356 -0.01187
|
|
2 2S 0.00002 -0.42016 0.05829 0.15526 0.02043
|
|
3 3S -0.00006 0.07893 -0.00945 -0.02066 -0.00085
|
|
4 4S 0.00066 0.00263 0.09133 0.24408 0.02728
|
|
5 5S -0.00102 0.00227 0.10430 0.30179 0.02971
|
|
6 6S -0.00016 0.00049 0.00801 0.04807 -0.00540
|
|
7 7PX 0.00000 0.00010 0.00087 -0.00349 0.03914
|
|
8 7PY -0.00001 -0.00093 -0.01930 0.01355 0.03974
|
|
9 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
10 8PX 0.00002 -0.00005 0.00147 -0.00535 0.06519
|
|
11 8PY -0.00026 0.00063 -0.03079 0.02167 0.06767
|
|
12 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
13 9PX -0.00012 -0.00001 0.00189 -0.01100 0.11328
|
|
14 9PY 0.00119 -0.00108 -0.06251 0.02791 0.10819
|
|
15 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
16 10PX -0.00001 0.00002 -0.00042 -0.00195 0.07064
|
|
17 10PY 0.00088 -0.00063 -0.01442 0.01817 0.06766
|
|
18 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
19 11PX 0.00000 0.00002 -0.00037 0.00181 0.01307
|
|
20 11PY 0.00003 -0.00003 -0.00018 0.00429 0.01147
|
|
21 11PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
22 12D 0 0.00000 -0.00005 -0.00055 0.00026 0.00131
|
|
23 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
24 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
25 12D+2 -0.00001 -0.00009 -0.00092 0.00057 0.00088
|
|
26 12D-2 0.00000 -0.00001 -0.00009 0.00013 -0.00010
|
|
27 13D 0 -0.00002 0.00013 -0.00302 0.00084 0.00559
|
|
28 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
29 13D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
30 13D+2 -0.00003 0.00027 -0.00504 0.00162 0.00430
|
|
31 13D-2 0.00000 0.00001 -0.00036 0.00080 -0.00145
|
|
32 14D 0 0.00039 -0.00022 -0.00862 0.00024 0.01654
|
|
33 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
34 14D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
35 14D+2 0.00058 -0.00028 -0.01385 0.00432 0.01000
|
|
36 14D-2 -0.00010 -0.00005 -0.00262 0.00175 -0.00401
|
|
37 15D 0 0.00020 -0.00009 -0.00169 0.00059 0.00636
|
|
38 15D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
39 15D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
40 15D+2 0.00024 -0.00015 -0.00186 0.00563 0.00867
|
|
41 15D-2 -0.00011 -0.00002 -0.00188 -0.00103 -0.00118
|
|
42 16F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
43 16F+1 0.00000 0.00008 0.00018 0.00068 0.00011
|
|
44 16F-1 0.00001 0.00004 0.00051 0.00048 -0.00014
|
|
45 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
46 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
47 16F+3 0.00000 -0.00003 -0.00013 -0.00020 -0.00035
|
|
48 16F-3 0.00002 0.00003 0.00062 0.00051 -0.00046
|
|
49 17F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
50 17F+1 0.00005 0.00018 0.00064 0.00312 0.00010
|
|
51 17F-1 -0.00006 0.00018 0.00282 0.00177 -0.00016
|
|
52 17F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
53 17F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
54 17F+3 0.00000 -0.00008 -0.00062 -0.00070 -0.00233
|
|
55 17F-3 -0.00008 0.00022 0.00354 0.00210 -0.00194
|
|
56 18F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
57 18F+1 0.00000 0.00007 0.00034 0.00213 0.00054
|
|
58 18F-1 -0.00013 0.00013 0.00289 0.00225 -0.00034
|
|
59 18F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
60 18F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
61 18F+3 0.00001 -0.00003 -0.00074 -0.00126 -0.00211
|
|
62 18F-3 -0.00013 0.00018 0.00320 0.00160 -0.00278
|
|
63 19G 0 0.00000 0.00001 0.00017 0.00003 -0.00021
|
|
64 19G+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
65 19G-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
66 19G+2 -0.00001 0.00000 0.00024 -0.00001 -0.00006
|
|
67 19G-2 0.00001 0.00006 0.00008 0.00029 0.00025
|
|
68 19G+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
69 19G-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
70 19G+4 -0.00001 0.00002 0.00035 0.00009 -0.00030
|
|
71 19G-4 0.00000 -0.00002 0.00001 -0.00018 0.00030
|
|
72 20G 0 0.00000 0.00008 0.00132 0.00022 -0.00168
|
|
73 20G+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
74 20G-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
75 20G+2 -0.00003 0.00011 0.00174 -0.00030 -0.00012
|
|
76 20G-2 0.00000 0.00000 -0.00014 0.00102 0.00215
|
|
77 20G+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
78 20G-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
79 20G+4 -0.00005 0.00013 0.00201 0.00040 -0.00200
|
|
80 20G-4 -0.00002 0.00002 0.00040 -0.00077 0.00156
|
|
81 21H 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
82 21H+1 0.00000 0.00001 0.00012 -0.00007 -0.00004
|
|
83 21H-1 0.00001 -0.00001 -0.00016 0.00001 0.00005
|
|
84 21H+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
85 21H-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
86 21H+3 0.00000 0.00001 0.00021 -0.00009 -0.00013
|
|
87 21H-3 0.00000 -0.00001 -0.00017 -0.00004 0.00040
|
|
88 21H+4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
89 21H-4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
90 21H+5 0.00000 -0.00001 -0.00009 -0.00005 0.00042
|
|
91 21H-5 0.00001 -0.00002 -0.00023 0.00004 0.00017
|
|
92 2 O 1S 0.57126 -0.00007 -0.11267 0.03189 0.02191
|
|
93 2S -0.42612 0.00010 0.19429 -0.05598 -0.03908
|
|
94 3S 0.06418 -0.00002 0.00664 -0.00237 -0.00239
|
|
95 4S -0.00001 0.00030 0.31399 -0.09410 -0.06713
|
|
96 5S 0.00404 -0.00079 0.43303 -0.13624 -0.10747
|
|
97 6S 0.00229 -0.00087 0.15522 -0.06795 -0.08799
|
|
98 7PX 0.00127 0.00000 0.01213 -0.01736 0.08329
|
|
99 7PY 0.00093 0.00006 0.01002 0.03845 -0.03892
|
|
100 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
101 8PX -0.00038 0.00000 0.02064 -0.02925 0.14212
|
|
102 8PY -0.00027 0.00017 0.01709 0.06467 -0.06622
|
|
103 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
104 9PX 0.00062 -0.00003 0.03677 -0.04809 0.21313
|
|
105 9PY 0.00040 0.00000 0.02892 0.09978 -0.10200
|
|
106 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
107 10PX 0.00113 -0.00003 0.02551 -0.03591 0.17182
|
|
108 10PY 0.00090 -0.00059 0.01699 0.07901 -0.07424
|
|
109 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
110 11PX 0.00012 -0.00001 0.00242 -0.00390 0.04415
|
|
111 11PY 0.00014 -0.00011 0.00229 0.01679 -0.00808
|
|
112 11PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
113 12D 0 -0.00016 0.00000 -0.00017 -0.00014 -0.00034
|
|
114 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
115 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
116 12D+2 -0.00002 0.00000 0.00001 -0.00078 0.00117
|
|
117 12D-2 -0.00007 0.00000 -0.00001 0.00022 -0.00008
|
|
118 13D 0 0.00027 -0.00002 -0.00182 -0.00012 -0.00153
|
|
119 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
120 13D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
121 13D+2 0.00005 -0.00004 0.00000 -0.00321 0.00527
|
|
122 13D-2 0.00009 0.00000 -0.00064 0.00126 -0.00062
|
|
123 14D 0 -0.00031 0.00005 -0.00777 -0.00041 -0.00389
|
|
124 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
125 14D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
126 14D+2 0.00007 0.00006 0.00013 -0.01280 0.01755
|
|
127 14D-2 -0.00003 0.00004 -0.00289 0.00435 -0.00033
|
|
128 15D 0 -0.00044 0.00005 -0.00398 -0.00109 -0.00315
|
|
129 15D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
130 15D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
131 15D+2 0.00005 0.00012 -0.00031 -0.00972 0.01022
|
|
132 15D-2 -0.00022 -0.00006 -0.00227 0.00409 0.00205
|
|
133 16F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
134 16F+1 0.00000 0.00000 -0.00006 0.00006 -0.00025
|
|
135 16F-1 0.00000 0.00000 -0.00003 -0.00012 0.00012
|
|
136 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
137 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
138 16F+3 0.00000 0.00000 0.00004 0.00001 0.00002
|
|
139 16F-3 0.00000 -0.00001 -0.00012 0.00001 -0.00014
|
|
140 17F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
141 17F+1 -0.00005 0.00000 -0.00115 0.00101 -0.00210
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401 15G+4 0.00000 0.00000 0.00001 0.00000 -0.00001
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402 15G-4 0.00000 0.00000 -0.00001 0.00001 0.00000
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6 7 8 9 10
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O O O O V
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Eigenvalues -- -0.61892 -0.59412 -0.50328 -0.45122 0.08868
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5 5S 0.00000 -0.02886 -0.02745 0.00000 2.71217
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45 16F+2 -0.00021 0.00000 0.00000 -0.00043 0.00000
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46 16F-2 0.00026 0.00000 0.00000 -0.00047 0.00000
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53 17F-2 0.00198 0.00000 0.00000 0.00031 0.00000
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55 17F-3 0.00000 0.00150 0.00043 0.00000 0.02457
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85 21H-2 0.00054 0.00000 0.00000 -0.00008 0.00000
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89 21H-4 -0.00006 0.00000 0.00000 -0.00005 0.00000
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90 21H+5 0.00000 0.00005 -0.00011 0.00000 -0.00094
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91 21H-5 0.00000 -0.00042 0.00007 0.00000 -0.00065
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93 2S 0.00000 -0.02797 -0.04363 0.00000 0.02100
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94 3S 0.00000 -0.00220 -0.00302 0.00000 -0.01203
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95 4S 0.00000 -0.04958 -0.07900 0.00000 0.08895
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96 5S 0.00000 -0.08524 -0.11571 0.00000 -0.02733
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97 6S 0.00000 -0.08035 -0.06145 0.00000 -1.35721
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98 7PX 0.00000 0.02728 0.07395 0.00000 0.01672
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99 7PY 0.00000 0.08677 0.03910 0.00000 -0.01071
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100 7PZ 0.07545 0.00000 0.00000 0.11344 0.00000
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102 8PY 0.00000 0.14826 0.06717 0.00000 -0.01374
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103 8PZ 0.12978 0.00000 0.00000 0.19626 0.00000
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104 9PX 0.00000 0.06682 0.18954 0.00000 0.06512
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105 9PY 0.00000 0.22256 0.09687 0.00000 -0.02704
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106 9PZ 0.19122 0.00000 0.00000 0.28630 0.00000
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108 10PY 0.00000 0.20441 0.11644 0.00000 -0.54808
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109 10PZ 0.17705 0.00000 0.00000 0.28154 0.00000
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144 17F-2 -0.00029 0.00000 0.00000 -0.00075 0.00000
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258 10D+2 0.00000 -0.00038 0.00022 0.00000 0.00025
|
|
259 10D-2 0.00000 -0.00026 -0.00050 0.00000 -0.00124
|
|
260 11D 0 0.00000 -0.00043 -0.00022 0.00000 0.00635
|
|
261 11D+1 -0.00133 0.00000 0.00000 -0.00237 0.00000
|
|
262 11D-1 0.00053 0.00000 0.00000 0.00097 0.00000
|
|
263 11D+2 0.00000 -0.00074 -0.00045 0.00000 -0.00730
|
|
264 11D-2 0.00000 -0.00144 -0.00103 0.00000 0.01248
|
|
265 12D 0 0.00000 -0.00070 0.00066 0.00000 0.00069
|
|
266 12D+1 -0.00344 0.00000 0.00000 -0.00655 0.00000
|
|
267 12D-1 0.00200 0.00000 0.00000 0.00098 0.00000
|
|
268 12D+2 0.00000 -0.00184 -0.00184 0.00000 0.02352
|
|
269 12D-2 0.00000 -0.00292 -0.00073 0.00000 0.01597
|
|
270 13F 0 -0.00012 0.00000 0.00000 -0.00023 0.00000
|
|
271 13F+1 0.00000 0.00000 0.00017 0.00000 -0.00114
|
|
272 13F-1 0.00000 -0.00008 -0.00012 0.00000 0.00078
|
|
273 13F+2 0.00016 0.00000 0.00000 0.00021 0.00000
|
|
274 13F-2 -0.00009 0.00000 0.00000 -0.00019 0.00000
|
|
275 13F+3 0.00000 0.00019 0.00002 0.00000 0.00057
|
|
276 13F-3 0.00000 0.00009 0.00025 0.00000 -0.00109
|
|
277 14F 0 -0.00061 0.00000 0.00000 -0.00086 0.00000
|
|
278 14F+1 0.00000 0.00008 -0.00024 0.00000 0.00007
|
|
279 14F-1 0.00000 -0.00010 0.00012 0.00000 0.00000
|
|
280 14F+2 0.00019 0.00000 0.00000 0.00108 0.00000
|
|
281 14F-2 -0.00050 0.00000 0.00000 -0.00054 0.00000
|
|
282 14F+3 0.00000 0.00037 0.00040 0.00000 -0.00421
|
|
283 14F-3 0.00000 0.00014 -0.00008 0.00000 -0.00357
|
|
284 15G 0 0.00000 -0.00001 0.00002 0.00000 -0.00016
|
|
285 15G+1 0.00009 0.00000 0.00000 0.00016 0.00000
|
|
286 15G-1 -0.00004 0.00000 0.00000 -0.00004 0.00000
|
|
287 15G+2 0.00000 0.00003 -0.00001 0.00000 0.00015
|
|
288 15G-2 0.00000 0.00002 0.00003 0.00000 -0.00040
|
|
289 15G+3 -0.00003 0.00000 0.00000 -0.00009 0.00000
|
|
290 15G-3 0.00005 0.00000 0.00000 0.00011 0.00000
|
|
291 15G+4 0.00000 -0.00008 -0.00005 0.00000 0.00034
|
|
292 15G-4 0.00000 0.00002 -0.00003 0.00000 0.00052
|
|
293 5 H 1S 0.02585 -0.00003 -0.01799 -0.02371 0.00005
|
|
294 2S 0.05974 0.00044 -0.04144 -0.05403 0.02718
|
|
295 3S 0.11355 0.00740 -0.08678 -0.14626 -0.25585
|
|
296 4S 0.10532 0.01147 -0.09847 -0.22048 -0.67358
|
|
297 5S 0.02738 -0.00212 -0.02974 -0.04222 -1.28299
|
|
298 6PX -0.00053 0.00030 -0.00011 0.00036 -0.00062
|
|
299 6PY -0.00049 -0.00030 0.00011 0.00021 -0.00018
|
|
300 6PZ -0.00053 -0.00001 0.00055 0.00040 -0.00080
|
|
301 7PX -0.00168 0.00104 -0.00026 0.00130 -0.00073
|
|
302 7PY -0.00179 -0.00125 0.00048 0.00094 -0.00027
|
|
303 7PZ -0.00171 -0.00021 0.00215 0.00107 -0.00295
|
|
304 8PX -0.00556 0.00217 -0.00208 0.01139 0.02843
|
|
305 8PY -0.00499 -0.00358 0.00166 0.00673 0.02176
|
|
306 8PZ -0.00499 -0.00174 0.00833 0.01619 0.05466
|
|
307 9PX -0.00507 -0.00002 -0.00404 0.01874 0.13411
|
|
308 9PY -0.00459 -0.00407 0.00140 0.01177 0.11194
|
|
309 9PZ -0.00564 -0.00220 0.01299 0.02954 0.30510
|
|
310 10D 0 -0.00005 0.00001 -0.00015 0.00005 0.00046
|
|
311 10D+1 0.00014 -0.00010 0.00004 0.00000 0.00054
|
|
312 10D-1 0.00013 0.00018 -0.00002 -0.00006 -0.00023
|
|
313 10D+2 0.00001 -0.00018 0.00002 0.00000 0.00045
|
|
314 10D-2 0.00011 0.00003 0.00003 0.00002 0.00014
|
|
315 11D 0 0.00044 0.00012 -0.00129 -0.00108 -0.00272
|
|
316 11D+1 0.00105 -0.00021 -0.00046 -0.00205 -0.00451
|
|
317 11D-1 0.00093 0.00017 -0.00083 -0.00138 0.00035
|
|
318 11D+2 -0.00007 -0.00022 0.00035 -0.00046 -0.00245
|
|
319 11D-2 0.00062 0.00001 -0.00024 -0.00106 -0.00128
|
|
320 12D 0 0.00077 -0.00010 -0.00333 -0.00373 -0.03221
|
|
321 12D+1 0.00164 0.00024 0.00013 -0.00522 -0.03039
|
|
322 12D-1 0.00112 -0.00027 -0.00083 -0.00338 -0.02858
|
|
323 12D+2 0.00004 -0.00018 0.00065 -0.00159 -0.00323
|
|
324 12D-2 0.00037 0.00003 -0.00007 -0.00127 -0.01342
|
|
325 13F 0 0.00004 -0.00001 0.00006 -0.00001 -0.00017
|
|
326 13F+1 -0.00006 0.00002 0.00006 0.00010 0.00019
|
|
327 13F-1 -0.00006 -0.00005 0.00008 0.00009 -0.00028
|
|
328 13F+2 -0.00001 0.00007 -0.00002 0.00003 -0.00015
|
|
329 13F-2 -0.00011 -0.00002 0.00003 0.00011 -0.00019
|
|
330 13F+3 0.00003 0.00004 -0.00001 -0.00001 -0.00006
|
|
331 13F-3 -0.00002 0.00002 0.00000 0.00002 0.00011
|
|
332 14F 0 -0.00013 -0.00002 0.00062 0.00011 0.00303
|
|
333 14F+1 -0.00068 -0.00001 0.00047 0.00108 0.00545
|
|
334 14F-1 -0.00056 0.00021 0.00051 0.00072 0.00423
|
|
335 14F+2 0.00000 -0.00021 -0.00018 0.00043 0.00305
|
|
336 14F-2 -0.00042 0.00010 0.00028 0.00065 0.00369
|
|
337 14F+3 0.00013 -0.00011 -0.00019 0.00008 -0.00009
|
|
338 14F-3 -0.00011 -0.00011 0.00000 0.00041 0.00098
|
|
339 15G 0 -0.00003 0.00000 -0.00002 0.00003 0.00011
|
|
340 15G+1 0.00006 -0.00001 -0.00006 -0.00008 -0.00055
|
|
341 15G-1 0.00006 0.00000 -0.00005 -0.00005 -0.00026
|
|
342 15G+2 0.00001 0.00000 0.00000 -0.00004 -0.00018
|
|
343 15G-2 0.00010 0.00000 -0.00005 -0.00008 -0.00023
|
|
344 15G+3 -0.00003 0.00001 0.00002 -0.00001 0.00010
|
|
345 15G-3 0.00004 0.00001 -0.00001 -0.00005 -0.00018
|
|
346 15G+4 -0.00002 -0.00001 0.00000 0.00001 0.00019
|
|
347 15G-4 0.00000 0.00001 0.00001 -0.00002 0.00001
|
|
348 6 H 1S -0.02585 -0.00003 -0.01799 0.02371 0.00005
|
|
349 2S -0.05974 0.00044 -0.04144 0.05403 0.02718
|
|
350 3S -0.11355 0.00740 -0.08678 0.14626 -0.25585
|
|
351 4S -0.10532 0.01147 -0.09847 0.22048 -0.67358
|
|
352 5S -0.02738 -0.00212 -0.02974 0.04222 -1.28299
|
|
353 6PX 0.00053 0.00030 -0.00011 -0.00036 -0.00062
|
|
354 6PY 0.00049 -0.00030 0.00011 -0.00021 -0.00018
|
|
355 6PZ -0.00053 0.00001 -0.00055 0.00040 0.00080
|
|
356 7PX 0.00168 0.00104 -0.00026 -0.00130 -0.00073
|
|
357 7PY 0.00179 -0.00125 0.00048 -0.00094 -0.00027
|
|
358 7PZ -0.00171 0.00021 -0.00215 0.00107 0.00295
|
|
359 8PX 0.00556 0.00217 -0.00208 -0.01139 0.02843
|
|
360 8PY 0.00499 -0.00358 0.00166 -0.00673 0.02176
|
|
361 8PZ -0.00499 0.00174 -0.00833 0.01619 -0.05466
|
|
362 9PX 0.00507 -0.00002 -0.00404 -0.01874 0.13411
|
|
363 9PY 0.00459 -0.00407 0.00140 -0.01177 0.11194
|
|
364 9PZ -0.00564 0.00220 -0.01299 0.02954 -0.30510
|
|
365 10D 0 0.00005 0.00001 -0.00015 -0.00005 0.00046
|
|
366 10D+1 0.00014 0.00010 -0.00004 0.00000 -0.00054
|
|
367 10D-1 0.00013 -0.00018 0.00002 -0.00006 0.00023
|
|
368 10D+2 -0.00001 -0.00018 0.00002 0.00000 0.00045
|
|
369 10D-2 -0.00011 0.00003 0.00003 -0.00002 0.00014
|
|
370 11D 0 -0.00044 0.00012 -0.00129 0.00108 -0.00272
|
|
371 11D+1 0.00105 0.00021 0.00046 -0.00205 0.00451
|
|
372 11D-1 0.00093 -0.00017 0.00083 -0.00138 -0.00035
|
|
373 11D+2 0.00007 -0.00022 0.00035 0.00046 -0.00245
|
|
374 11D-2 -0.00062 0.00001 -0.00024 0.00106 -0.00128
|
|
375 12D 0 -0.00077 -0.00010 -0.00333 0.00373 -0.03221
|
|
376 12D+1 0.00164 -0.00024 -0.00013 -0.00522 0.03039
|
|
377 12D-1 0.00112 0.00027 0.00083 -0.00338 0.02858
|
|
378 12D+2 -0.00004 -0.00018 0.00065 0.00159 -0.00323
|
|
379 12D-2 -0.00037 0.00003 -0.00007 0.00127 -0.01342
|
|
380 13F 0 0.00004 0.00001 -0.00006 -0.00001 0.00017
|
|
381 13F+1 0.00006 0.00002 0.00006 -0.00010 0.00019
|
|
382 13F-1 0.00006 -0.00005 0.00008 -0.00009 -0.00028
|
|
383 13F+2 -0.00001 -0.00007 0.00002 0.00003 0.00015
|
|
384 13F-2 -0.00011 0.00002 -0.00003 0.00011 0.00019
|
|
385 13F+3 -0.00003 0.00004 -0.00001 0.00001 -0.00006
|
|
386 13F-3 0.00002 0.00002 0.00000 -0.00002 0.00011
|
|
387 14F 0 -0.00013 0.00002 -0.00062 0.00011 -0.00303
|
|
388 14F+1 0.00068 -0.00001 0.00047 -0.00108 0.00545
|
|
389 14F-1 0.00056 0.00021 0.00051 -0.00072 0.00423
|
|
390 14F+2 0.00000 0.00021 0.00018 0.00043 -0.00305
|
|
391 14F-2 -0.00042 -0.00010 -0.00028 0.00065 -0.00369
|
|
392 14F+3 -0.00013 -0.00011 -0.00019 -0.00008 -0.00009
|
|
393 14F-3 0.00011 -0.00011 0.00000 -0.00041 0.00098
|
|
394 15G 0 0.00003 0.00000 -0.00002 -0.00003 0.00011
|
|
395 15G+1 0.00006 0.00001 0.00006 -0.00008 0.00055
|
|
396 15G-1 0.00006 0.00000 0.00005 -0.00005 0.00026
|
|
397 15G+2 -0.00001 0.00000 0.00000 0.00004 -0.00018
|
|
398 15G-2 -0.00010 0.00000 -0.00005 0.00008 -0.00023
|
|
399 15G+3 -0.00003 -0.00001 -0.00002 -0.00001 -0.00010
|
|
400 15G-3 0.00004 -0.00001 0.00001 -0.00005 0.00018
|
|
401 15G+4 0.00002 -0.00001 0.00000 -0.00001 0.00019
|
|
402 15G-4 0.00000 0.00001 0.00001 0.00002 0.00001
|
|
11 12 13 14 15
|
|
V V V V V
|
|
Eigenvalues -- 0.12083 0.14022 0.14622 0.19263 0.21483
|
|
1 1 C 1S -0.02414 0.00000 0.00292 -0.00016 0.00258
|
|
2 2S 0.04232 0.00000 -0.00744 -0.00746 -0.00385
|
|
3 3S 0.00896 0.00000 -0.01726 -0.05202 0.00893
|
|
4 4S -0.17055 0.00000 0.14101 0.29757 -0.09822
|
|
5 5S 0.55457 0.00000 -0.05164 0.55670 0.03968
|
|
6 6S 2.05459 0.00000 0.05966 0.59985 -0.00180
|
|
7 7PX -0.00804 0.00000 -0.02947 0.00888 0.00145
|
|
8 7PY 0.00139 0.00000 0.00638 0.01258 -0.00076
|
|
9 7PZ 0.00000 0.03234 0.00000 0.00000 0.00000
|
|
10 8PX -0.04581 0.00000 -0.18499 0.01034 -0.07566
|
|
11 8PY 0.00340 0.00000 -0.02230 -0.04745 -0.00386
|
|
12 8PZ 0.00000 0.19606 0.00000 0.00000 0.00000
|
|
13 9PX 0.31707 0.00000 1.29198 0.03863 1.20984
|
|
14 9PY -0.00422 0.00000 0.29507 0.60754 0.03023
|
|
15 9PZ 0.00000 -1.39005 0.00000 0.00000 0.00000
|
|
16 10PX 1.53069 0.00000 5.87708 -0.20064 3.77371
|
|
17 10PY -0.39211 0.00000 1.29130 2.28869 -0.06175
|
|
18 10PZ 0.00000 -6.08959 0.00000 0.00000 0.00000
|
|
19 11PX -0.19346 0.00000 -0.56004 1.22720 4.50088
|
|
20 11PY 0.14259 0.00000 0.62929 2.90799 -1.06566
|
|
21 11PZ 0.00000 0.85786 0.00000 0.00000 0.00000
|
|
22 12D 0 -0.00050 0.00000 -0.00347 -0.00306 -0.00540
|
|
23 12D+1 0.00000 0.00335 0.00000 0.00000 0.00000
|
|
24 12D-1 0.00000 0.00308 0.00000 0.00000 0.00000
|
|
25 12D+2 0.00094 0.00000 0.00099 -0.00252 0.00564
|
|
26 12D-2 -0.00052 0.00000 -0.00270 -0.00047 -0.00266
|
|
27 13D 0 0.00163 0.00000 0.00324 0.00025 0.01769
|
|
28 13D+1 0.00000 -0.00590 0.00000 0.00000 0.00000
|
|
29 13D-1 0.00000 -0.00464 0.00000 0.00000 0.00000
|
|
30 13D+2 0.00176 0.00000 -0.00390 0.00020 -0.01832
|
|
31 13D-2 0.00092 0.00000 0.00624 0.00328 0.00922
|
|
32 14D 0 0.12157 0.00000 0.50400 0.13842 0.33157
|
|
33 14D+1 0.00000 -0.51514 0.00000 0.00000 0.00000
|
|
34 14D-1 0.00000 -0.53476 0.00000 0.00000 0.00000
|
|
35 14D+2 -0.08499 0.00000 -0.28265 0.12421 -0.12858
|
|
36 14D-2 0.13164 0.00000 0.38865 -0.03160 0.31227
|
|
37 15D 0 0.22011 0.00000 1.43666 0.69363 0.98372
|
|
38 15D+1 0.00000 -1.29279 0.00000 0.00000 0.00000
|
|
39 15D-1 0.00000 -1.28777 0.00000 0.00000 0.00000
|
|
40 15D+2 -0.31023 0.00000 -0.62936 0.59995 -0.79968
|
|
41 15D-2 0.15032 0.00000 0.91234 -0.09286 0.55665
|
|
42 16F 0 0.00000 0.00126 0.00000 0.00000 0.00000
|
|
43 16F+1 -0.00246 0.00000 0.00097 0.00239 -0.00301
|
|
44 16F-1 -0.00178 0.00000 -0.00164 0.00180 0.00016
|
|
45 16F+2 0.00000 0.00122 0.00000 0.00000 0.00000
|
|
46 16F-2 0.00000 0.00365 0.00000 0.00000 0.00000
|
|
47 16F+3 -0.00126 0.00000 -0.00238 -0.00102 -0.00193
|
|
48 16F-3 -0.00092 0.00000 0.00289 0.00239 -0.00038
|
|
49 17F 0 0.00000 -0.02207 0.00000 0.00000 0.00000
|
|
50 17F+1 0.01838 0.00000 0.00333 0.00841 0.02288
|
|
51 17F-1 0.01846 0.00000 0.04354 0.00099 0.02462
|
|
52 17F+2 0.00000 -0.02026 0.00000 0.00000 0.00000
|
|
53 17F-2 0.00000 -0.06485 0.00000 0.00000 0.00000
|
|
54 17F+3 0.01653 0.00000 0.03848 0.00092 0.03832
|
|
55 17F-3 0.00300 0.00000 -0.03433 -0.00801 -0.01571
|
|
56 18F 0 0.00000 -0.02146 0.00000 0.00000 0.00000
|
|
57 18F+1 0.09940 0.00000 -0.02568 -0.00383 0.07125
|
|
58 18F-1 0.11898 0.00000 0.07486 -0.02126 0.08502
|
|
59 18F+2 0.00000 -0.02560 0.00000 0.00000 0.00000
|
|
60 18F-2 0.00000 -0.15645 0.00000 0.00000 0.00000
|
|
61 18F+3 -0.03112 0.00000 0.06890 0.07517 0.14153
|
|
62 18F-3 0.01501 0.00000 -0.09199 -0.08027 -0.02933
|
|
63 19G 0 -0.00008 0.00000 -0.00227 -0.00196 -0.00273
|
|
64 19G+1 0.00000 -0.00243 0.00000 0.00000 0.00000
|
|
65 19G-1 0.00000 -0.00101 0.00000 0.00000 0.00000
|
|
66 19G+2 0.00050 0.00000 0.00077 -0.00180 0.00388
|
|
67 19G-2 -0.00103 0.00000 0.00144 0.00337 0.00128
|
|
68 19G+3 0.00000 0.00163 0.00000 0.00000 0.00000
|
|
69 19G-3 0.00000 -0.00023 0.00000 0.00000 0.00000
|
|
70 19G+4 0.00011 0.00000 -0.00128 -0.00262 -0.00090
|
|
71 19G-4 -0.00024 0.00000 0.00033 -0.00023 0.00385
|
|
72 20G 0 -0.01212 0.00000 -0.03852 -0.00237 -0.02559
|
|
73 20G+1 0.00000 -0.06202 0.00000 0.00000 0.00000
|
|
74 20G-1 0.00000 -0.04707 0.00000 0.00000 0.00000
|
|
75 20G+2 0.01422 0.00000 0.04106 -0.00697 0.02913
|
|
76 20G-2 0.02579 0.00000 0.02458 -0.00008 0.01273
|
|
77 20G+3 0.00000 0.01277 0.00000 0.00000 0.00000
|
|
78 20G-3 0.00000 -0.03861 0.00000 0.00000 0.00000
|
|
79 20G+4 -0.00148 0.00000 -0.03678 -0.01464 -0.01113
|
|
80 20G-4 0.00503 0.00000 0.04813 -0.00698 0.00845
|
|
81 21H 0 0.00000 0.00064 0.00000 0.00000 0.00000
|
|
82 21H+1 0.00000 0.00000 0.00174 -0.00029 -0.00180
|
|
83 21H-1 -0.00052 0.00000 -0.00129 0.00035 -0.00180
|
|
84 21H+2 0.00000 -0.00072 0.00000 0.00000 0.00000
|
|
85 21H-2 0.00000 -0.00761 0.00000 0.00000 0.00000
|
|
86 21H+3 -0.00063 0.00000 -0.00209 -0.00197 0.00096
|
|
87 21H-3 0.00214 0.00000 0.00609 -0.00018 0.00475
|
|
88 21H+4 0.00000 -0.00045 0.00000 0.00000 0.00000
|
|
89 21H-4 0.00000 0.00102 0.00000 0.00000 0.00000
|
|
90 21H+5 -0.00021 0.00000 0.00320 0.00121 -0.00209
|
|
91 21H-5 -0.00039 0.00000 -0.00243 0.00079 0.00022
|
|
92 2 O 1S 0.01675 0.00000 -0.01107 -0.01365 0.00101
|
|
93 2S -0.02939 0.00000 0.02230 0.02925 -0.00182
|
|
94 3S -0.00216 0.00000 0.01170 0.02399 0.00027
|
|
95 4S 0.01704 0.00000 0.00810 -0.07835 -0.00542
|
|
96 5S -0.32326 0.00000 -0.17050 0.07567 -0.03648
|
|
97 6S -1.86610 0.00000 0.77313 3.54554 -1.70772
|
|
98 7PX -0.01962 0.00000 0.00543 -0.01398 -0.01012
|
|
99 7PY -0.00324 0.00000 0.00270 0.01411 -0.01353
|
|
100 7PZ 0.00000 0.00047 0.00000 0.00000 0.00000
|
|
101 8PX -0.01605 0.00000 0.00896 -0.02681 -0.01874
|
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353 6PX -0.00083 0.00102 0.00012 0.00071 0.00319
|
|
354 6PY -0.00096 0.00081 0.00112 0.00180 -0.00024
|
|
355 6PZ 0.00210 -0.00174 -0.00088 0.00180 0.00111
|
|
356 7PX 0.00331 -0.00778 -0.00288 -0.00671 -0.01222
|
|
357 7PY 0.00199 -0.00624 -0.00531 -0.00726 -0.00425
|
|
358 7PZ -0.00772 0.01349 0.00890 -0.00051 0.00265
|
|
359 8PX 0.03250 0.24643 0.09701 0.05777 0.11532
|
|
360 8PY 0.03131 0.21832 0.12655 0.05514 0.09668
|
|
361 8PZ -0.07012 -0.42132 -0.25353 -0.03336 -0.16961
|
|
362 9PX 0.08746 1.01400 0.39956 0.31971 0.19077
|
|
363 9PY 0.21489 0.83680 0.46394 0.07829 0.54754
|
|
364 9PZ -0.26643 -1.56650 -1.10698 -0.29190 -0.70281
|
|
365 10D 0 0.00082 0.00163 0.00066 0.00177 0.00253
|
|
366 10D+1 0.00001 -0.00079 -0.00114 -0.00172 0.00031
|
|
367 10D-1 -0.00040 -0.00120 -0.00192 0.00002 -0.00195
|
|
368 10D+2 0.00094 0.00041 0.00033 -0.00096 0.00017
|
|
369 10D-2 0.00020 0.00214 -0.00137 -0.00007 -0.00078
|
|
370 11D 0 -0.00929 -0.01942 -0.01239 -0.00887 -0.01939
|
|
371 11D+1 0.00427 0.02179 0.01263 0.00927 0.00425
|
|
372 11D-1 0.00634 0.02260 0.01888 0.00114 0.01478
|
|
373 11D+2 -0.00420 -0.00250 -0.00040 0.00435 0.00022
|
|
374 11D-2 -0.00279 -0.02007 0.00267 -0.00106 0.00107
|
|
375 12D 0 -0.00419 -0.07902 -0.12944 -0.01019 -0.04974
|
|
376 12D+1 0.00779 0.18421 0.06146 0.05726 0.04688
|
|
377 12D-1 0.02533 0.15603 0.08519 0.03555 0.11340
|
|
378 12D+2 0.03167 -0.01483 0.02280 -0.04684 0.04899
|
|
379 12D-2 0.00364 -0.07890 -0.05496 -0.02590 -0.03878
|
|
380 13F 0 -0.00026 -0.00085 0.00048 0.00013 -0.00014
|
|
381 13F+1 0.00032 0.00136 0.00065 -0.00045 0.00082
|
|
382 13F-1 0.00061 0.00139 0.00079 -0.00057 -0.00057
|
|
383 13F+2 -0.00031 0.00003 -0.00040 0.00042 -0.00097
|
|
384 13F-2 -0.00030 -0.00126 -0.00073 -0.00055 -0.00069
|
|
385 13F+3 -0.00027 -0.00034 0.00003 -0.00012 0.00043
|
|
386 13F-3 0.00060 0.00050 0.00002 -0.00050 0.00089
|
|
387 14F 0 -0.00023 0.00826 -0.01327 -0.00144 -0.00566
|
|
388 14F+1 0.00045 0.01183 0.00844 0.01271 0.00279
|
|
389 14F-1 0.00172 0.01154 0.01248 0.00813 0.02133
|
|
390 14F+2 0.00540 -0.00290 0.00657 -0.00778 0.01571
|
|
391 14F-2 0.00070 -0.01705 -0.00589 -0.00393 -0.00357
|
|
392 14F+3 0.00034 -0.00214 -0.00307 0.00146 -0.00566
|
|
393 14F-3 -0.00455 0.00363 -0.00034 0.00563 -0.00733
|
|
394 15G 0 0.00012 0.00078 -0.00034 0.00024 0.00011
|
|
395 15G+1 0.00005 0.00022 0.00072 0.00083 0.00037
|
|
396 15G-1 0.00012 0.00037 0.00077 0.00049 0.00111
|
|
397 15G+2 0.00038 -0.00013 0.00016 -0.00059 0.00111
|
|
398 15G-2 0.00004 -0.00118 -0.00081 -0.00067 -0.00064
|
|
399 15G+3 -0.00011 -0.00038 -0.00040 0.00011 -0.00059
|
|
400 15G-3 -0.00027 0.00064 -0.00002 0.00049 -0.00050
|
|
401 15G+4 0.00004 0.00004 0.00007 0.00005 0.00001
|
|
402 15G-4 0.00008 0.00000 -0.00007 -0.00023 0.00019
|
|
16 17 18 19 20
|
|
V V V V V
|
|
Eigenvalues -- 0.22809 0.32921 0.37564 0.38971 0.41017
|
|
1 1 C 1S 0.00000 0.00032 0.02486 0.00000 0.01628
|
|
2 2S 0.00000 -0.00389 -0.07344 0.00000 -0.04312
|
|
3 3S 0.00000 -0.04780 -0.11222 0.00000 -0.04615
|
|
4 4S 0.00000 1.16324 -1.13838 0.00000 -0.82426
|
|
5 5S 0.00000 -5.26872 11.14139 0.00000 7.09225
|
|
6 6S 0.00000 -7.28831 15.79747 0.00000 14.00052
|
|
7 7PX 0.00000 -0.01180 -0.01881 0.00000 0.00153
|
|
8 7PY 0.00000 0.02675 -0.00666 0.00000 -0.04036
|
|
9 7PZ -0.00391 0.00000 0.00000 0.03410 0.00000
|
|
10 8PX 0.00000 0.06395 0.05196 0.00000 0.01712
|
|
11 8PY 0.00000 -0.12504 -0.12700 0.00000 -0.03468
|
|
12 8PZ 0.07741 0.00000 0.00000 0.00648 0.00000
|
|
13 9PX 0.00000 -0.48521 -0.94461 0.00000 0.23354
|
|
14 9PY 0.00000 1.03792 1.32445 0.00000 -0.02518
|
|
15 9PZ -1.31677 0.00000 0.00000 0.47159 0.00000
|
|
16 10PX 0.00000 -2.40511 -3.77356 0.00000 0.36441
|
|
17 10PY 0.00000 4.99912 3.96402 0.00000 -0.44634
|
|
18 10PZ -3.91987 0.00000 0.00000 4.11223 0.00000
|
|
19 11PX 0.00000 -0.59563 -0.34359 0.00000 0.74347
|
|
20 11PY 0.00000 -0.23299 1.02355 0.00000 -0.03131
|
|
21 11PZ -4.46342 0.00000 0.00000 -0.22404 0.00000
|
|
22 12D 0 0.00000 0.00254 -0.00048 0.00000 -0.00337
|
|
23 12D+1 0.00777 0.00000 0.00000 0.00044 0.00000
|
|
24 12D-1 0.00516 0.00000 0.00000 -0.00167 0.00000
|
|
25 12D+2 0.00000 0.00221 -0.00502 0.00000 -0.00211
|
|
26 12D-2 0.00000 0.00128 0.00224 0.00000 -0.00220
|
|
27 13D 0 0.00000 -0.00201 0.01347 0.00000 0.03796
|
|
28 13D+1 -0.02465 0.00000 0.00000 -0.03813 0.00000
|
|
29 13D-1 -0.02102 0.00000 0.00000 0.01436 0.00000
|
|
30 13D+2 0.00000 -0.04731 0.01319 0.00000 0.02204
|
|
31 13D-2 0.00000 -0.00771 0.00073 0.00000 -0.00643
|
|
32 14D 0 0.00000 -0.02649 -0.12170 0.00000 -0.19867
|
|
33 14D+1 -0.35467 0.00000 0.00000 0.50397 0.00000
|
|
34 14D-1 -0.35235 0.00000 0.00000 -0.27204 0.00000
|
|
35 14D+2 0.00000 0.87673 0.71222 0.00000 -0.05354
|
|
36 14D-2 0.00000 0.06671 -0.18820 0.00000 0.30983
|
|
37 15D 0 0.00000 -0.39655 -0.30990 0.00000 -0.42408
|
|
38 15D+1 -1.19100 0.00000 0.00000 0.99722 0.00000
|
|
39 15D-1 -1.00214 0.00000 0.00000 -0.69663 0.00000
|
|
40 15D+2 0.00000 1.92532 1.41602 0.00000 0.13805
|
|
41 15D-2 0.00000 -0.07685 -0.32626 0.00000 0.66471
|
|
42 16F 0 0.00133 0.00000 0.00000 -0.00337 0.00000
|
|
43 16F+1 0.00000 0.00243 -0.00893 0.00000 -0.00179
|
|
44 16F-1 0.00000 0.01259 -0.00139 0.00000 -0.00451
|
|
45 16F+2 0.00286 0.00000 0.00000 -0.00570 0.00000
|
|
46 16F-2 -0.00026 0.00000 0.00000 -0.00426 0.00000
|
|
47 16F+3 0.00000 0.00040 0.00404 0.00000 0.00668
|
|
48 16F-3 0.00000 0.01002 -0.00637 0.00000 -0.00372
|
|
49 17F 0 -0.02249 0.00000 0.00000 0.03558 0.00000
|
|
50 17F+1 0.00000 -0.01986 0.16807 0.00000 0.05725
|
|
51 17F-1 0.00000 -0.10505 0.04097 0.00000 0.07181
|
|
52 17F+2 -0.03383 0.00000 0.00000 0.05828 0.00000
|
|
53 17F-2 -0.04053 0.00000 0.00000 0.02211 0.00000
|
|
54 17F+3 0.00000 -0.02169 -0.07814 0.00000 -0.07781
|
|
55 17F-3 0.00000 -0.07992 0.11219 0.00000 0.04210
|
|
56 18F 0 -0.09692 0.00000 0.00000 0.01354 0.00000
|
|
57 18F+1 0.00000 -0.23149 0.53136 0.00000 0.21078
|
|
58 18F-1 0.00000 -0.37295 0.18324 0.00000 0.19604
|
|
59 18F+2 -0.15961 0.00000 0.00000 0.09510 0.00000
|
|
60 18F-2 -0.10388 0.00000 0.00000 -0.06285 0.00000
|
|
61 18F+3 0.00000 -0.11803 -0.19792 0.00000 -0.35215
|
|
62 18F-3 0.00000 -0.25122 0.46281 0.00000 0.24322
|
|
63 19G 0 0.00000 -0.00085 -0.00097 0.00000 -0.00246
|
|
64 19G+1 -0.00497 0.00000 0.00000 -0.00260 0.00000
|
|
65 19G-1 -0.00491 0.00000 0.00000 -0.00140 0.00000
|
|
66 19G+2 0.00000 -0.00054 -0.00400 0.00000 0.00075
|
|
67 19G-2 0.00000 -0.00012 0.00293 0.00000 0.00194
|
|
68 19G+3 0.00235 0.00000 0.00000 0.00513 0.00000
|
|
69 19G-3 -0.00328 0.00000 0.00000 -0.00159 0.00000
|
|
70 19G+4 0.00000 -0.00220 -0.00141 0.00000 -0.00201
|
|
71 19G-4 0.00000 -0.00052 -0.00252 0.00000 -0.00064
|
|
72 20G 0 0.00000 -0.02525 0.01632 0.00000 -0.00103
|
|
73 20G+1 -0.03883 0.00000 0.00000 0.05927 0.00000
|
|
74 20G-1 0.00002 0.00000 0.00000 0.02568 0.00000
|
|
75 20G+2 0.00000 -0.07352 -0.03193 0.00000 -0.03466
|
|
76 20G-2 0.00000 -0.03078 0.10197 0.00000 0.03695
|
|
77 20G+3 0.00015 0.00000 0.00000 0.02769 0.00000
|
|
78 20G-3 -0.00834 0.00000 0.00000 0.05143 0.00000
|
|
79 20G+4 0.00000 -0.00032 0.00974 0.00000 0.07186
|
|
80 20G-4 0.00000 -0.01679 -0.08374 0.00000 0.00331
|
|
81 21H 0 -0.00043 0.00000 0.00000 -0.00017 0.00000
|
|
82 21H+1 0.00000 -0.00739 -0.00504 0.00000 -0.00745
|
|
83 21H-1 0.00000 0.00211 0.00113 0.00000 -0.00536
|
|
84 21H+2 0.00159 0.00000 0.00000 0.01701 0.00000
|
|
85 21H-2 -0.00249 0.00000 0.00000 0.00288 0.00000
|
|
86 21H+3 0.00000 0.00175 -0.00278 0.00000 -0.00230
|
|
87 21H-3 0.00000 0.00343 -0.00134 0.00000 -0.00246
|
|
88 21H+4 0.00010 0.00000 0.00000 0.00413 0.00000
|
|
89 21H-4 0.00130 0.00000 0.00000 0.00668 0.00000
|
|
90 21H+5 0.00000 -0.00759 -0.00088 0.00000 -0.00525
|
|
91 21H-5 0.00000 0.00659 0.00602 0.00000 -0.00385
|
|
92 2 O 1S 0.00000 -0.01742 0.01919 0.00000 0.00446
|
|
93 2S 0.00000 0.03794 -0.03746 0.00000 -0.01024
|
|
94 3S 0.00000 0.03780 -0.01194 0.00000 -0.00929
|
|
95 4S 0.00000 -0.34609 -0.06530 0.00000 -0.09133
|
|
96 5S 0.00000 1.56544 -0.03721 0.00000 1.07527
|
|
97 6S 0.00000 13.38632 -1.65840 0.00000 2.06945
|
|
98 7PX 0.00000 -0.01766 -0.03135 0.00000 0.00068
|
|
99 7PY 0.00000 -0.01842 0.00620 0.00000 -0.01287
|
|
100 7PZ 0.01997 0.00000 0.00000 0.03939 0.00000
|
|
101 8PX 0.00000 -0.08259 -0.07323 0.00000 -0.03195
|
|
102 8PY 0.00000 -0.02729 0.02492 0.00000 -0.01680
|
|
103 8PZ 0.02947 0.00000 0.00000 0.07712 0.00000
|
|
104 9PX 0.00000 0.32712 0.03449 0.00000 0.19826
|
|
105 9PY 0.00000 -0.31319 -0.07331 0.00000 -0.01395
|
|
106 9PZ 0.07333 0.00000 0.00000 0.12468 0.00000
|
|
107 10PX 0.00000 1.48659 -0.39964 0.00000 2.16477
|
|
108 10PY 0.00000 2.71157 -0.01383 0.00000 -1.92376
|
|
109 10PZ -0.24852 0.00000 0.00000 0.46658 0.00000
|
|
110 11PX 0.00000 2.61058 -0.33944 0.00000 3.57311
|
|
111 11PY 0.00000 3.35145 0.36811 0.00000 -2.83758
|
|
112 11PZ 0.67544 0.00000 0.00000 -1.64471 0.00000
|
|
113 12D 0 0.00000 0.00023 0.00051 0.00000 0.00191
|
|
114 12D+1 -0.00082 0.00000 0.00000 0.00365 0.00000
|
|
115 12D-1 -0.00092 0.00000 0.00000 0.00215 0.00000
|
|
116 12D+2 0.00000 -0.00366 -0.00028 0.00000 0.00096
|
|
117 12D-2 0.00000 -0.00084 -0.00099 0.00000 -0.00030
|
|
118 13D 0 0.00000 0.00929 -0.00093 0.00000 -0.00300
|
|
119 13D+1 0.00717 0.00000 0.00000 -0.02318 0.00000
|
|
120 13D-1 0.00346 0.00000 0.00000 -0.00238 0.00000
|
|
121 13D+2 0.00000 0.01581 0.00593 0.00000 -0.01785
|
|
122 13D-2 0.00000 0.00348 0.00226 0.00000 0.00558
|
|
123 14D 0 0.00000 -0.12212 -0.02430 0.00000 -0.03092
|
|
124 14D+1 -0.02611 0.00000 0.00000 0.12857 0.00000
|
|
125 14D-1 -0.00802 0.00000 0.00000 0.02408 0.00000
|
|
126 14D+2 0.00000 0.08970 0.03986 0.00000 0.14044
|
|
127 14D-2 0.00000 -0.10756 -0.06083 0.00000 -0.05295
|
|
128 15D 0 0.00000 -0.90070 0.05142 0.00000 -0.16918
|
|
129 15D+1 -0.01284 0.00000 0.00000 0.16250 0.00000
|
|
130 15D-1 -0.06664 0.00000 0.00000 -0.54202 0.00000
|
|
131 15D+2 0.00000 -0.69445 -0.15960 0.00000 1.22633
|
|
132 15D-2 0.00000 0.12453 0.09129 0.00000 -0.25329
|
|
133 16F 0 0.00031 0.00000 0.00000 0.00289 0.00000
|
|
134 16F+1 0.00000 0.00192 0.00101 0.00000 -0.00038
|
|
135 16F-1 0.00000 -0.00029 -0.00026 0.00000 0.00044
|
|
136 16F+2 0.00077 0.00000 0.00000 0.00030 0.00000
|
|
137 16F-2 -0.00028 0.00000 0.00000 0.00040 0.00000
|
|
138 16F+3 0.00000 -0.00288 -0.00078 0.00000 -0.00038
|
|
139 16F-3 0.00000 0.00214 0.00129 0.00000 -0.00026
|
|
140 17F 0 -0.00197 0.00000 0.00000 -0.01864 0.00000
|
|
141 17F+1 0.00000 -0.01883 -0.00885 0.00000 -0.00241
|
|
142 17F-1 0.00000 0.00837 0.00333 0.00000 -0.00153
|
|
143 17F+2 -0.00454 0.00000 0.00000 -0.00184 0.00000
|
|
144 17F-2 0.00183 0.00000 0.00000 -0.00374 0.00000
|
|
145 17F+3 0.00000 0.02469 0.00909 0.00000 0.00517
|
|
146 17F-3 0.00000 -0.01702 -0.01008 0.00000 -0.00452
|
|
147 18F 0 0.03874 0.00000 0.00000 -0.01888 0.00000
|
|
148 18F+1 0.00000 -0.05610 0.00308 0.00000 -0.09906
|
|
149 18F-1 0.00000 -0.15789 -0.00197 0.00000 0.07390
|
|
150 18F+2 0.00764 0.00000 0.00000 0.17097 0.00000
|
|
151 18F-2 0.00951 0.00000 0.00000 -0.08445 0.00000
|
|
152 18F+3 0.00000 0.03017 -0.05392 0.00000 0.14358
|
|
153 18F-3 0.00000 -0.17984 -0.02553 0.00000 0.04971
|
|
154 19G 0 0.00000 -0.00142 0.00044 0.00000 -0.00027
|
|
155 19G+1 -0.00033 0.00000 0.00000 0.00117 0.00000
|
|
156 19G-1 -0.00023 0.00000 0.00000 -0.00215 0.00000
|
|
157 19G+2 0.00000 -0.00307 -0.00102 0.00000 0.00143
|
|
158 19G-2 0.00000 0.00118 0.00065 0.00000 0.00033
|
|
159 19G+3 0.00001 0.00000 0.00000 -0.00135 0.00000
|
|
160 19G-3 -0.00038 0.00000 0.00000 -0.00052 0.00000
|
|
161 19G+4 0.00000 -0.00193 0.00034 0.00000 0.00035
|
|
162 19G-4 0.00000 -0.00096 0.00003 0.00000 -0.00101
|
|
163 20G 0 0.00000 0.02019 0.00172 0.00000 0.00311
|
|
164 20G+1 0.00477 0.00000 0.00000 -0.02189 0.00000
|
|
165 20G-1 0.00092 0.00000 0.00000 0.01833 0.00000
|
|
166 20G+2 0.00000 0.01237 0.00071 0.00000 -0.01652
|
|
167 20G-2 0.00000 -0.00192 0.00139 0.00000 -0.00101
|
|
168 20G+3 -0.00148 0.00000 0.00000 0.01543 0.00000
|
|
169 20G-3 0.00525 0.00000 0.00000 -0.00699 0.00000
|
|
170 20G+4 0.00000 0.02944 -0.00264 0.00000 0.00374
|
|
171 20G-4 0.00000 -0.00702 -0.01022 0.00000 0.00204
|
|
172 21H 0 -0.00068 0.00000 0.00000 0.00171 0.00000
|
|
173 21H+1 0.00000 0.00096 0.00055 0.00000 0.00029
|
|
174 21H-1 0.00000 0.00146 -0.00062 0.00000 -0.00007
|
|
175 21H+2 0.00022 0.00000 0.00000 -0.00332 0.00000
|
|
176 21H-2 -0.00035 0.00000 0.00000 0.00188 0.00000
|
|
177 21H+3 0.00000 -0.00035 -0.00030 0.00000 -0.00074
|
|
178 21H-3 0.00000 0.00174 0.00076 0.00000 -0.00096
|
|
179 21H+4 -0.00014 0.00000 0.00000 0.00000 0.00000
|
|
180 21H-4 0.00080 0.00000 0.00000 -0.00218 0.00000
|
|
181 21H+5 0.00000 0.00149 -0.00021 0.00000 0.00145
|
|
182 21H-5 0.00000 0.00101 -0.00136 0.00000 -0.00100
|
|
183 3 H 1S 0.00000 -0.00250 -0.00936 0.00000 0.00631
|
|
184 2S 0.00000 0.01568 0.14903 0.00000 0.05139
|
|
185 3S 0.00000 -0.55432 -2.88188 0.00000 -0.90263
|
|
186 4S 0.00000 -2.75333 -11.55545 0.00000 -2.50527
|
|
187 5S 0.00000 1.21840 -1.00762 0.00000 -0.28618
|
|
188 6PX 0.00000 0.00431 -0.00060 0.00000 0.00235
|
|
189 6PY 0.00000 -0.00054 -0.00027 0.00000 0.00246
|
|
190 6PZ -0.00309 0.00000 0.00000 -0.00215 0.00000
|
|
191 7PX 0.00000 -0.02076 0.02564 0.00000 -0.01551
|
|
192 7PY 0.00000 -0.00087 -0.00617 0.00000 -0.01576
|
|
193 7PZ 0.00687 0.00000 0.00000 0.01338 0.00000
|
|
194 8PX 0.00000 -0.10012 -1.02031 0.00000 -0.17022
|
|
195 8PY 0.00000 0.13849 0.25158 0.00000 0.25488
|
|
196 8PZ -0.00934 0.00000 0.00000 -0.02339 0.00000
|
|
197 9PX 0.00000 -0.44995 -3.51719 0.00000 -0.62591
|
|
198 9PY 0.00000 0.39521 0.86576 0.00000 0.84965
|
|
199 9PZ 0.20522 0.00000 0.00000 0.34057 0.00000
|
|
200 10D 0 0.00000 -0.00101 -0.00298 0.00000 -0.00103
|
|
201 10D+1 -0.00210 0.00000 0.00000 -0.00167 0.00000
|
|
202 10D-1 0.00240 0.00000 0.00000 0.00286 0.00000
|
|
203 10D+2 0.00000 0.00062 0.00516 0.00000 -0.00029
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204 10D-2 0.00000 -0.00370 -0.00213 0.00000 -0.00143
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205 11D 0 0.00000 0.01370 0.04475 0.00000 0.01455
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206 11D+1 0.01218 0.00000 0.00000 0.00753 0.00000
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207 11D-1 -0.01085 0.00000 0.00000 -0.01392 0.00000
|
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208 11D+2 0.00000 -0.01000 -0.07059 0.00000 -0.00756
|
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209 11D-2 0.00000 0.03151 0.03708 0.00000 0.02129
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210 12D 0 0.00000 0.00186 0.23824 0.00000 0.03640
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211 12D+1 0.04683 0.00000 0.00000 0.06249 0.00000
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212 12D-1 -0.00075 0.00000 0.00000 0.02123 0.00000
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213 12D+2 0.00000 0.04203 -0.37790 0.00000 0.09762
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214 12D-2 0.00000 0.11478 0.16433 0.00000 0.23464
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215 13F 0 0.00005 0.00000 0.00000 0.00136 0.00000
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216 13F+1 0.00000 0.00099 0.00292 0.00000 0.00110
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217 13F-1 0.00000 -0.00071 -0.00107 0.00000 -0.00064
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218 13F+2 -0.00120 0.00000 0.00000 -0.00065 0.00000
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219 13F-2 0.00105 0.00000 0.00000 0.00040 0.00000
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220 13F+3 0.00000 -0.00067 -0.00165 0.00000 -0.00148
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221 13F-3 0.00000 -0.00014 0.00339 0.00000 0.00000
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222 14F 0 -0.00990 0.00000 0.00000 -0.01784 0.00000
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223 14F+1 0.00000 -0.00202 0.02974 0.00000 0.00544
|
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224 14F-1 0.00000 -0.00497 -0.00403 0.00000 -0.01002
|
|
225 14F+2 0.01524 0.00000 0.00000 0.01512 0.00000
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|
226 14F-2 -0.01212 0.00000 0.00000 -0.00992 0.00000
|
|
227 14F+3 0.00000 0.01999 -0.03879 0.00000 0.03319
|
|
228 14F-3 0.00000 0.02498 0.02016 0.00000 0.03041
|
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229 15G 0 0.00000 -0.00014 -0.00131 0.00000 -0.00082
|
|
230 15G+1 -0.00099 0.00000 0.00000 -0.00158 0.00000
|
|
231 15G-1 0.00033 0.00000 0.00000 0.00030 0.00000
|
|
232 15G+2 0.00000 -0.00030 0.00222 0.00000 0.00056
|
|
233 15G-2 0.00000 -0.00065 -0.00052 0.00000 -0.00120
|
|
234 15G+3 0.00044 0.00000 0.00000 0.00094 0.00000
|
|
235 15G-3 -0.00072 0.00000 0.00000 -0.00081 0.00000
|
|
236 15G+4 0.00000 0.00143 -0.00165 0.00000 0.00259
|
|
237 15G-4 0.00000 0.00053 0.00224 0.00000 0.00085
|
|
238 4 H 1S 0.00000 -0.00310 0.01327 0.00000 -0.01168
|
|
239 2S 0.00000 0.14605 0.10421 0.00000 0.03936
|
|
240 3S 0.00000 -1.42970 -0.12690 0.00000 -1.96377
|
|
241 4S 0.00000 -5.59202 2.32935 0.00000 -7.73178
|
|
242 5S 0.00000 1.15836 -0.90209 0.00000 -0.84446
|
|
243 6PX 0.00000 -0.00307 -0.00655 0.00000 0.00403
|
|
244 6PY 0.00000 -0.00193 0.00330 0.00000 -0.00380
|
|
245 6PZ 0.00006 0.00000 0.00000 0.00009 0.00000
|
|
246 7PX 0.00000 -0.00914 0.03964 0.00000 -0.03784
|
|
247 7PY 0.00000 0.02287 -0.01761 0.00000 0.02930
|
|
248 7PZ -0.00077 0.00000 0.00000 0.00733 0.00000
|
|
249 8PX 0.00000 0.64725 0.02585 0.00000 0.70433
|
|
250 8PY 0.00000 -0.33365 0.06609 0.00000 -0.41312
|
|
251 8PZ 0.04631 0.00000 0.00000 -0.23989 0.00000
|
|
252 9PX 0.00000 1.66020 -0.13102 0.00000 2.04631
|
|
253 9PY 0.00000 -1.03655 0.15416 0.00000 -0.93969
|
|
254 9PZ 0.10561 0.00000 0.00000 -0.46608 0.00000
|
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255 10D 0 0.00000 -0.00544 -0.00199 0.00000 -0.00038
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256 10D+1 0.00184 0.00000 0.00000 -0.00602 0.00000
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257 10D-1 0.00197 0.00000 0.00000 -0.00073 0.00000
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258 10D+2 0.00000 0.00389 0.00243 0.00000 -0.00026
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259 10D-2 0.00000 -0.00394 -0.00218 0.00000 -0.00343
|
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260 11D 0 0.00000 0.05835 0.02448 0.00000 0.02688
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261 11D+1 -0.01494 0.00000 0.00000 0.05333 0.00000
|
|
262 11D-1 -0.00641 0.00000 0.00000 -0.00614 0.00000
|
|
263 11D+2 0.00000 -0.06674 -0.03582 0.00000 -0.02361
|
|
264 11D-2 0.00000 0.06112 0.01992 0.00000 0.04982
|
|
265 12D 0 0.00000 0.21625 -0.00644 0.00000 0.17969
|
|
266 12D+1 -0.03509 0.00000 0.00000 0.23958 0.00000
|
|
267 12D-1 0.04374 0.00000 0.00000 -0.10184 0.00000
|
|
268 12D+2 0.00000 -0.14749 -0.04656 0.00000 -0.14126
|
|
269 12D-2 0.00000 0.30903 -0.06798 0.00000 0.27614
|
|
270 13F 0 -0.00060 0.00000 0.00000 0.00011 0.00000
|
|
271 13F+1 0.00000 -0.00228 -0.00112 0.00000 -0.00356
|
|
272 13F-1 0.00000 0.00055 0.00058 0.00000 0.00147
|
|
273 13F+2 0.00028 0.00000 0.00000 -0.00122 0.00000
|
|
274 13F-2 -0.00048 0.00000 0.00000 0.00261 0.00000
|
|
275 13F+3 0.00000 0.00405 0.00221 0.00000 0.00102
|
|
276 13F-3 0.00000 -0.00565 -0.00104 0.00000 -0.00351
|
|
277 14F 0 -0.00858 0.00000 0.00000 0.04939 0.00000
|
|
278 14F+1 0.00000 -0.04890 -0.01608 0.00000 -0.01860
|
|
279 14F-1 0.00000 0.02859 0.00001 0.00000 0.01333
|
|
280 14F+2 0.00958 0.00000 0.00000 -0.04682 0.00000
|
|
281 14F-2 -0.00513 0.00000 0.00000 0.02959 0.00000
|
|
282 14F+3 0.00000 0.00471 0.02035 0.00000 -0.00816
|
|
283 14F-3 0.00000 -0.05534 -0.01023 0.00000 -0.03483
|
|
284 15G 0 0.00000 -0.00219 -0.00059 0.00000 -0.00140
|
|
285 15G+1 0.00113 0.00000 0.00000 -0.00476 0.00000
|
|
286 15G-1 -0.00030 0.00000 0.00000 0.00197 0.00000
|
|
287 15G+2 0.00000 0.00168 0.00119 0.00000 0.00106
|
|
288 15G-2 0.00000 -0.00296 -0.00049 0.00000 -0.00170
|
|
289 15G+3 -0.00049 0.00000 0.00000 0.00240 0.00000
|
|
290 15G-3 0.00070 0.00000 0.00000 -0.00440 0.00000
|
|
291 15G+4 0.00000 0.00073 -0.00166 0.00000 0.00175
|
|
292 15G-4 0.00000 0.00429 0.00152 0.00000 0.00206
|
|
293 5 H 1S 0.01124 0.00338 0.00011 -0.00694 -0.00420
|
|
294 2S -0.08342 -0.00500 0.08907 -0.01935 0.07058
|
|
295 3S 0.99868 0.77637 -1.30145 -0.31460 -0.72666
|
|
296 4S 5.45633 1.62536 -4.77941 -3.91651 -4.88876
|
|
297 5S 2.87898 0.31410 -1.63596 1.52368 -1.37400
|
|
298 6PX 0.00117 -0.00076 -0.00034 0.00023 0.00063
|
|
299 6PY -0.00036 -0.00311 0.00088 0.00142 0.00136
|
|
300 6PZ -0.00184 -0.00012 0.00117 -0.00115 0.00175
|
|
301 7PX 0.00476 0.00462 -0.00241 -0.00104 -0.00509
|
|
302 7PY 0.01077 0.01711 -0.00686 -0.01238 -0.01106
|
|
303 7PZ 0.02130 0.00242 -0.01251 0.00610 -0.01565
|
|
304 8PX -0.14078 -0.12728 0.18513 0.00709 0.12901
|
|
305 8PY -0.18391 -0.19208 0.18034 0.18816 0.06412
|
|
306 8PZ -0.32281 -0.15874 0.40653 0.08247 0.28049
|
|
307 9PX -0.73657 -0.43737 0.79118 0.03291 0.41594
|
|
308 9PY -0.83218 -0.37613 0.48469 1.21564 0.41470
|
|
309 9PZ -1.24092 0.01702 1.51994 0.63558 1.68458
|
|
310 10D 0 -0.00152 -0.00038 0.00177 0.00048 0.00129
|
|
311 10D+1 -0.00269 0.00026 0.00220 -0.00290 0.00178
|
|
312 10D-1 -0.00195 -0.00118 0.00020 0.00070 -0.00062
|
|
313 10D+2 -0.00008 -0.00054 -0.00076 0.00017 0.00186
|
|
314 10D-2 -0.00264 0.00019 0.00063 -0.00098 -0.00121
|
|
315 11D 0 0.01426 0.00948 -0.02246 -0.00742 -0.01326
|
|
316 11D+1 0.02241 0.00821 -0.02783 0.00979 -0.01803
|
|
317 11D-1 0.01776 0.01497 -0.01432 -0.01502 0.00037
|
|
318 11D+2 0.00001 0.00265 0.00233 0.00205 -0.01286
|
|
319 11D-2 0.01654 0.00559 -0.00993 -0.00047 0.00521
|
|
320 12D 0 0.08320 -0.10384 -0.15918 0.05176 -0.21927
|
|
321 12D+1 0.13181 0.05041 -0.14425 0.04319 -0.11993
|
|
322 12D-1 0.18064 0.05042 -0.11634 -0.21454 -0.06745
|
|
323 12D+2 -0.01654 -0.03353 -0.04208 0.19094 0.00972
|
|
324 12D-2 0.08750 0.06017 -0.05282 -0.09838 -0.04177
|
|
325 13F 0 -0.00105 -0.00119 -0.00026 0.00077 -0.00160
|
|
326 13F+1 -0.00078 -0.00113 0.00159 0.00138 0.00012
|
|
327 13F-1 -0.00032 -0.00156 0.00091 0.00097 0.00092
|
|
328 13F+2 -0.00061 -0.00003 -0.00079 0.00172 0.00027
|
|
329 13F-2 0.00008 -0.00146 0.00080 0.00028 0.00003
|
|
330 13F+3 0.00008 0.00080 -0.00057 0.00029 0.00018
|
|
331 13F-3 0.00060 -0.00047 0.00051 0.00141 0.00005
|
|
332 14F 0 0.00766 0.02016 0.01383 -0.01382 0.03000
|
|
333 14F+1 -0.01529 0.00293 0.02177 -0.02283 0.02692
|
|
334 14F-1 -0.01873 0.00891 0.01534 0.01489 0.00767
|
|
335 14F+2 0.00516 0.00228 0.01071 -0.04647 0.00993
|
|
336 14F-2 -0.02434 -0.00419 0.01278 0.01419 0.00341
|
|
337 14F+3 0.00717 0.00178 0.00175 -0.02067 0.00195
|
|
338 14F-3 -0.00812 0.00048 0.00278 -0.01521 0.00109
|
|
339 15G 0 -0.00101 -0.00086 0.00016 0.00038 -0.00057
|
|
340 15G+1 0.00064 -0.00047 -0.00185 0.00127 -0.00221
|
|
341 15G-1 0.00066 -0.00139 -0.00118 0.00016 -0.00156
|
|
342 15G+2 -0.00012 0.00003 -0.00042 0.00281 -0.00097
|
|
343 15G-2 0.00167 0.00021 -0.00140 -0.00067 -0.00055
|
|
344 15G+3 -0.00101 -0.00037 0.00007 0.00258 -0.00023
|
|
345 15G-3 0.00081 -0.00006 -0.00074 0.00127 -0.00037
|
|
346 15G+4 -0.00056 -0.00041 0.00037 0.00012 0.00014
|
|
347 15G-4 -0.00005 0.00000 -0.00011 0.00132 0.00014
|
|
348 6 H 1S -0.01124 0.00338 0.00011 0.00694 -0.00420
|
|
349 2S 0.08342 -0.00500 0.08907 0.01935 0.07058
|
|
350 3S -0.99868 0.77637 -1.30145 0.31460 -0.72666
|
|
351 4S -5.45633 1.62536 -4.77941 3.91651 -4.88876
|
|
352 5S -2.87898 0.31410 -1.63596 -1.52368 -1.37400
|
|
353 6PX -0.00117 -0.00076 -0.00034 -0.00023 0.00063
|
|
354 6PY 0.00036 -0.00311 0.00088 -0.00142 0.00136
|
|
355 6PZ -0.00184 0.00012 -0.00117 -0.00115 -0.00175
|
|
356 7PX -0.00476 0.00462 -0.00241 0.00104 -0.00509
|
|
357 7PY -0.01077 0.01711 -0.00686 0.01238 -0.01106
|
|
358 7PZ 0.02130 -0.00242 0.01251 0.00610 0.01565
|
|
359 8PX 0.14078 -0.12728 0.18513 -0.00709 0.12901
|
|
360 8PY 0.18391 -0.19208 0.18034 -0.18816 0.06412
|
|
361 8PZ -0.32281 0.15874 -0.40653 0.08247 -0.28049
|
|
362 9PX 0.73657 -0.43737 0.79118 -0.03291 0.41594
|
|
363 9PY 0.83218 -0.37613 0.48469 -1.21564 0.41470
|
|
364 9PZ -1.24092 -0.01702 -1.51994 0.63558 -1.68458
|
|
365 10D 0 0.00152 -0.00038 0.00177 -0.00048 0.00129
|
|
366 10D+1 -0.00269 -0.00026 -0.00220 -0.00290 -0.00178
|
|
367 10D-1 -0.00195 0.00118 -0.00020 0.00070 0.00062
|
|
368 10D+2 0.00008 -0.00054 -0.00076 -0.00017 0.00186
|
|
369 10D-2 0.00264 0.00019 0.00063 0.00098 -0.00121
|
|
370 11D 0 -0.01426 0.00948 -0.02246 0.00742 -0.01326
|
|
371 11D+1 0.02241 -0.00821 0.02783 0.00979 0.01803
|
|
372 11D-1 0.01776 -0.01497 0.01432 -0.01502 -0.00037
|
|
373 11D+2 -0.00001 0.00265 0.00233 -0.00205 -0.01286
|
|
374 11D-2 -0.01654 0.00559 -0.00993 0.00047 0.00521
|
|
375 12D 0 -0.08320 -0.10384 -0.15918 -0.05176 -0.21927
|
|
376 12D+1 0.13181 -0.05041 0.14425 0.04319 0.11993
|
|
377 12D-1 0.18064 -0.05042 0.11634 -0.21454 0.06745
|
|
378 12D+2 0.01654 -0.03353 -0.04208 -0.19094 0.00972
|
|
379 12D-2 -0.08750 0.06017 -0.05282 0.09838 -0.04177
|
|
380 13F 0 -0.00105 0.00119 0.00026 0.00077 0.00160
|
|
381 13F+1 0.00078 -0.00113 0.00159 -0.00138 0.00012
|
|
382 13F-1 0.00032 -0.00156 0.00091 -0.00097 0.00092
|
|
383 13F+2 -0.00061 0.00003 0.00079 0.00172 -0.00027
|
|
384 13F-2 0.00008 0.00146 -0.00080 0.00028 -0.00003
|
|
385 13F+3 -0.00008 0.00080 -0.00057 -0.00029 0.00018
|
|
386 13F-3 -0.00060 -0.00047 0.00051 -0.00141 0.00005
|
|
387 14F 0 0.00766 -0.02016 -0.01383 -0.01382 -0.03000
|
|
388 14F+1 0.01529 0.00293 0.02177 0.02283 0.02692
|
|
389 14F-1 0.01873 0.00891 0.01534 -0.01489 0.00767
|
|
390 14F+2 0.00516 -0.00228 -0.01071 -0.04647 -0.00993
|
|
391 14F-2 -0.02434 0.00419 -0.01278 0.01419 -0.00341
|
|
392 14F+3 -0.00717 0.00178 0.00175 0.02067 0.00195
|
|
393 14F-3 0.00812 0.00048 0.00278 0.01521 0.00109
|
|
394 15G 0 0.00101 -0.00086 0.00016 -0.00038 -0.00057
|
|
395 15G+1 0.00064 0.00047 0.00185 0.00127 0.00221
|
|
396 15G-1 0.00066 0.00139 0.00118 0.00016 0.00156
|
|
397 15G+2 0.00012 0.00003 -0.00042 -0.00281 -0.00097
|
|
398 15G-2 -0.00167 0.00021 -0.00140 0.00067 -0.00055
|
|
399 15G+3 -0.00101 0.00037 -0.00007 0.00258 0.00023
|
|
400 15G-3 0.00081 0.00006 0.00074 0.00127 0.00037
|
|
401 15G+4 0.00056 -0.00041 0.00037 -0.00012 0.00014
|
|
402 15G-4 0.00005 0.00000 -0.00011 -0.00132 0.00014
|
|
21 22 23 24 25
|
|
V V V V V
|
|
Eigenvalues -- 0.42193 0.43378 0.44818 0.46910 0.49618
|
|
1 1 C 1S 0.02537 -0.02556 0.00000 0.05415 0.02338
|
|
2 2S -0.05890 0.04067 0.00000 -0.09250 -0.02641
|
|
3 3S -0.04374 -0.04952 0.00000 0.04610 0.08568
|
|
4 4S -0.76809 0.61274 0.00000 0.15033 0.13287
|
|
5 5S 5.80521 -1.08168 0.00000 -4.65638 -4.91666
|
|
6 6S 7.14586 -2.59520 0.00000 -4.09353 -3.58540
|
|
7 7PX 0.04451 0.06774 0.00000 0.00826 0.02991
|
|
8 7PY 0.05041 -0.03548 0.00000 -0.02814 0.02746
|
|
9 7PZ 0.00000 0.00000 -0.08668 0.00000 0.00000
|
|
10 8PX -0.02146 -0.01597 0.00000 -0.05129 0.01042
|
|
11 8PY -0.02832 -0.16257 0.00000 -0.02230 0.20741
|
|
12 8PZ 0.00000 0.00000 0.08457 0.00000 0.00000
|
|
13 9PX 0.87019 1.30589 0.00000 0.61469 0.79344
|
|
14 9PY 1.25069 0.48464 0.00000 -0.27989 -1.10459
|
|
15 9PZ 0.00000 0.00000 -2.46883 0.00000 0.00000
|
|
16 10PX 5.33553 6.69941 0.00000 2.00090 2.73872
|
|
17 10PY 3.82486 3.57826 0.00000 -2.65902 -5.24255
|
|
18 10PZ 0.00000 0.00000 -10.37967 0.00000 0.00000
|
|
19 11PX -1.18653 -2.43725 0.00000 -0.39419 -0.95366
|
|
20 11PY 0.01013 1.51706 0.00000 0.62940 -2.36841
|
|
21 11PZ 0.00000 0.00000 2.42996 0.00000 0.00000
|
|
22 12D 0 -0.00179 -0.00046 0.00000 -0.00110 -0.00138
|
|
23 12D+1 0.00000 0.00000 0.00350 0.00000 0.00000
|
|
24 12D-1 0.00000 0.00000 0.00283 0.00000 0.00000
|
|
25 12D+2 -0.00131 0.00285 0.00000 -0.00143 -0.00024
|
|
26 12D-2 -0.00288 -0.00238 0.00000 0.00090 0.00062
|
|
27 13D 0 -0.02447 -0.01384 0.00000 -0.00034 -0.00433
|
|
28 13D+1 0.00000 0.00000 0.00969 0.00000 0.00000
|
|
29 13D-1 0.00000 0.00000 0.02580 0.00000 0.00000
|
|
30 13D+2 -0.00821 0.01582 0.00000 0.02536 0.00314
|
|
31 13D-2 -0.00652 0.00092 0.00000 -0.00383 -0.01003
|
|
32 14D 0 0.62237 0.54084 0.00000 0.26537 -0.18643
|
|
33 14D+1 0.00000 0.00000 -0.79122 0.00000 0.00000
|
|
34 14D-1 0.00000 0.00000 -1.14222 0.00000 0.00000
|
|
35 14D+2 0.23172 -0.10485 0.00000 -0.45757 -0.65912
|
|
36 14D-2 0.30990 0.30909 0.00000 0.16183 0.36963
|
|
37 15D 0 1.19918 1.84787 0.00000 0.26538 -1.34592
|
|
38 15D+1 0.00000 0.00000 -1.76960 0.00000 0.00000
|
|
39 15D-1 0.00000 0.00000 -2.69731 0.00000 0.00000
|
|
40 15D+2 -0.34377 0.55079 0.00000 -0.97787 -1.78635
|
|
41 15D-2 0.42653 1.09960 0.00000 0.11928 0.98269
|
|
42 16F 0 0.00000 0.00000 -0.00020 0.00000 0.00000
|
|
43 16F+1 -0.01056 0.00538 0.00000 0.00272 0.00380
|
|
44 16F-1 -0.00474 -0.00154 0.00000 0.00003 -0.00092
|
|
45 16F+2 0.00000 0.00000 -0.00173 0.00000 0.00000
|
|
46 16F-2 0.00000 0.00000 0.00933 0.00000 0.00000
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303 7PZ -0.01523 -0.01199 0.02186 0.03958 -0.00814
|
|
304 8PX 0.26046 0.03042 -0.43346 -0.03830 -0.14387
|
|
305 8PY 0.19618 0.11180 -0.26769 -0.02565 -0.13962
|
|
306 8PZ 0.53652 0.21265 -0.72516 -0.13109 -0.15752
|
|
307 9PX 0.89123 0.41237 -1.62863 -0.00027 -0.68957
|
|
308 9PY 0.82395 0.10883 -0.63417 0.11355 -0.23641
|
|
309 9PZ 1.74690 1.07448 -2.42272 -0.33461 -0.37034
|
|
310 10D 0 0.00112 -0.00074 -0.00281 0.00111 -0.00333
|
|
311 10D+1 0.00066 0.00242 -0.00185 0.00027 -0.00156
|
|
312 10D-1 0.00248 0.00184 -0.00158 -0.00032 -0.00026
|
|
313 10D+2 0.00136 -0.00101 -0.00064 0.00156 0.00215
|
|
314 10D-2 0.00059 -0.00172 -0.00363 0.00078 -0.00099
|
|
315 11D 0 -0.02697 -0.00301 0.03752 -0.00620 0.02625
|
|
316 11D+1 -0.02727 -0.01918 0.04218 -0.00097 0.01637
|
|
317 11D-1 -0.03564 -0.01612 0.03576 0.00160 0.00889
|
|
318 11D+2 -0.00676 0.00468 0.00536 -0.00630 -0.00995
|
|
319 11D-2 -0.01473 0.00434 0.03344 -0.00409 0.00873
|
|
320 12D 0 -0.16050 -0.16622 0.17688 0.11132 -0.05662
|
|
321 12D+1 -0.15424 -0.02658 0.31700 0.03732 0.10404
|
|
322 12D-1 -0.11749 -0.02579 0.11092 -0.01702 0.06137
|
|
323 12D+2 0.01306 -0.01094 0.12769 0.02897 0.06471
|
|
324 12D-2 -0.05453 -0.04368 0.04594 0.02000 0.02799
|
|
325 13F 0 0.00030 -0.00104 -0.00065 0.00094 -0.00101
|
|
326 13F+1 0.00243 0.00018 -0.00226 -0.00044 -0.00016
|
|
327 13F-1 0.00299 0.00142 -0.00263 -0.00121 -0.00073
|
|
328 13F+2 0.00068 -0.00030 0.00113 0.00002 0.00046
|
|
329 13F-2 0.00147 0.00095 -0.00330 -0.00027 -0.00170
|
|
330 13F+3 -0.00131 -0.00001 0.00079 -0.00026 0.00085
|
|
331 13F-3 0.00090 -0.00071 -0.00062 0.00041 0.00006
|
|
332 14F 0 0.00696 0.01938 -0.00182 -0.01384 0.00913
|
|
333 14F+1 0.00969 0.01081 -0.02509 -0.00280 -0.01469
|
|
334 14F-1 0.01006 0.00231 -0.00648 0.00389 -0.00657
|
|
335 14F+2 -0.00513 0.00266 -0.02895 -0.00457 -0.00756
|
|
336 14F-2 0.01159 0.00271 -0.00716 0.00013 -0.00388
|
|
337 14F+3 0.00322 -0.00114 -0.01046 -0.00019 -0.00486
|
|
338 14F-3 -0.00172 0.00505 -0.00852 -0.00267 -0.00369
|
|
339 15G 0 0.00024 -0.00095 -0.00033 0.00074 -0.00078
|
|
340 15G+1 -0.00043 -0.00085 0.00081 0.00009 0.00064
|
|
341 15G-1 -0.00058 -0.00040 0.00063 0.00043 0.00040
|
|
342 15G+2 0.00036 -0.00066 0.00146 0.00029 0.00033
|
|
343 15G-2 -0.00107 -0.00069 0.00067 0.00019 0.00095
|
|
344 15G+3 0.00034 0.00001 0.00121 0.00031 0.00031
|
|
345 15G-3 -0.00006 -0.00043 0.00104 0.00021 0.00048
|
|
346 15G+4 0.00015 0.00006 0.00049 0.00021 0.00001
|
|
347 15G-4 -0.00001 -0.00038 0.00061 -0.00005 0.00030
|
|
348 6 H 1S -0.00616 -0.00475 -0.00846 0.00884 -0.00224
|
|
349 2S 0.05794 0.03124 0.08962 0.06354 -0.04652
|
|
350 3S -1.70811 -0.57817 -2.30412 -0.15789 0.69400
|
|
351 4S -7.05603 -4.64251 -11.06784 2.94875 2.48442
|
|
352 5S 0.51610 1.88493 3.93308 -0.55826 1.57064
|
|
353 6PX -0.00005 -0.00242 0.00039 -0.00211 -0.00149
|
|
354 6PY -0.00173 0.00112 -0.00122 -0.00171 -0.00199
|
|
355 6PZ -0.00051 -0.00037 -0.00026 0.00547 -0.00181
|
|
356 7PX -0.00340 0.01272 -0.01738 0.01640 0.01313
|
|
357 7PY 0.00713 -0.01506 -0.00386 0.01210 0.01788
|
|
358 7PZ 0.01523 0.01199 0.02186 -0.03958 0.00814
|
|
359 8PX 0.26046 0.03042 0.43346 -0.03830 -0.14387
|
|
360 8PY 0.19618 0.11180 0.26769 -0.02565 -0.13962
|
|
361 8PZ -0.53652 -0.21265 -0.72516 0.13109 0.15752
|
|
362 9PX 0.89123 0.41237 1.62863 -0.00027 -0.68957
|
|
363 9PY 0.82395 0.10883 0.63417 0.11355 -0.23641
|
|
364 9PZ -1.74690 -1.07448 -2.42272 0.33461 0.37034
|
|
365 10D 0 0.00112 -0.00074 0.00281 0.00111 -0.00333
|
|
366 10D+1 -0.00066 -0.00242 -0.00185 -0.00027 0.00156
|
|
367 10D-1 -0.00248 -0.00184 -0.00158 0.00032 0.00026
|
|
368 10D+2 0.00136 -0.00101 0.00064 0.00156 0.00215
|
|
369 10D-2 0.00059 -0.00172 0.00363 0.00078 -0.00099
|
|
370 11D 0 -0.02697 -0.00301 -0.03752 -0.00620 0.02625
|
|
371 11D+1 0.02727 0.01918 0.04218 0.00097 -0.01637
|
|
372 11D-1 0.03564 0.01612 0.03576 -0.00160 -0.00889
|
|
373 11D+2 -0.00676 0.00468 -0.00536 -0.00630 -0.00995
|
|
374 11D-2 -0.01473 0.00434 -0.03344 -0.00409 0.00873
|
|
375 12D 0 -0.16050 -0.16622 -0.17688 0.11132 -0.05662
|
|
376 12D+1 0.15424 0.02658 0.31700 -0.03732 -0.10404
|
|
377 12D-1 0.11749 0.02579 0.11092 0.01702 -0.06137
|
|
378 12D+2 0.01306 -0.01094 -0.12769 0.02897 0.06471
|
|
379 12D-2 -0.05453 -0.04368 -0.04594 0.02000 0.02799
|
|
380 13F 0 -0.00030 0.00104 -0.00065 -0.00094 0.00101
|
|
381 13F+1 0.00243 0.00018 0.00226 -0.00044 -0.00016
|
|
382 13F-1 0.00299 0.00142 0.00263 -0.00121 -0.00073
|
|
383 13F+2 -0.00068 0.00030 0.00113 -0.00002 -0.00046
|
|
384 13F-2 -0.00147 -0.00095 -0.00330 0.00027 0.00170
|
|
385 13F+3 -0.00131 -0.00001 -0.00079 -0.00026 0.00085
|
|
386 13F-3 0.00090 -0.00071 0.00062 0.00041 0.00006
|
|
387 14F 0 -0.00696 -0.01938 -0.00182 0.01384 -0.00913
|
|
388 14F+1 0.00969 0.01081 0.02509 -0.00280 -0.01469
|
|
389 14F-1 0.01006 0.00231 0.00648 0.00389 -0.00657
|
|
390 14F+2 0.00513 -0.00266 -0.02895 0.00457 0.00756
|
|
391 14F-2 -0.01159 -0.00271 -0.00716 -0.00013 0.00388
|
|
392 14F+3 0.00322 -0.00114 0.01046 -0.00019 -0.00486
|
|
393 14F-3 -0.00172 0.00505 0.00852 -0.00267 -0.00369
|
|
394 15G 0 0.00024 -0.00095 0.00033 0.00074 -0.00078
|
|
395 15G+1 0.00043 0.00085 0.00081 -0.00009 -0.00064
|
|
396 15G-1 0.00058 0.00040 0.00063 -0.00043 -0.00040
|
|
397 15G+2 0.00036 -0.00066 -0.00146 0.00029 0.00033
|
|
398 15G-2 -0.00107 -0.00069 -0.00067 0.00019 0.00095
|
|
399 15G+3 -0.00034 -0.00001 0.00121 -0.00031 -0.00031
|
|
400 15G-3 0.00006 0.00043 0.00104 -0.00021 -0.00048
|
|
401 15G+4 0.00015 0.00006 -0.00049 0.00021 0.00001
|
|
402 15G-4 -0.00001 -0.00038 -0.00061 -0.00005 0.00030
|
|
26 27 28 29 30
|
|
V V V V V
|
|
Eigenvalues -- 0.53383 0.55004 0.57049 0.59793 0.61828
|
|
1 1 C 1S 0.00000 0.00847 0.00000 0.00051 0.00000
|
|
2 2S 0.00000 -0.00414 0.00000 0.00097 0.00000
|
|
3 3S 0.00000 0.05414 0.00000 0.00391 0.00000
|
|
4 4S 0.00000 0.24557 0.00000 0.15312 0.00000
|
|
5 5S 0.00000 -3.81897 0.00000 -1.06373 0.00000
|
|
6 6S 0.00000 -6.83196 0.00000 -1.80073 0.00000
|
|
7 7PX 0.00000 -0.00765 0.00000 0.02176 0.00000
|
|
8 7PY 0.00000 -0.00140 0.00000 0.00308 0.00000
|
|
9 7PZ 0.00377 0.00000 -0.00275 0.00000 -0.01076
|
|
10 8PX 0.00000 0.23412 0.00000 -0.31837 0.00000
|
|
11 8PY 0.00000 0.06240 0.00000 -0.01523 0.00000
|
|
12 8PZ -0.03393 0.00000 0.25963 0.00000 0.31318
|
|
13 9PX 0.00000 -2.44912 0.00000 3.68309 0.00000
|
|
14 9PY 0.00000 -0.54427 0.00000 0.23102 0.00000
|
|
15 9PZ 0.14019 0.00000 -2.02201 0.00000 -3.65071
|
|
16 10PX 0.00000 -6.58678 0.00000 15.93681 0.00000
|
|
17 10PY 0.00000 -1.77086 0.00000 0.26098 0.00000
|
|
18 10PZ 2.08790 0.00000 -6.96042 0.00000 -15.36864
|
|
19 11PX 0.00000 -0.54214 0.00000 3.10451 0.00000
|
|
20 11PY 0.00000 0.47945 0.00000 -0.03182 0.00000
|
|
21 11PZ 2.36993 0.00000 -0.89072 0.00000 -2.34490
|
|
22 12D 0 0.00000 0.00153 0.00000 -0.00779 0.00000
|
|
23 12D+1 0.00028 0.00000 0.00060 0.00000 0.00848
|
|
24 12D-1 -0.00068 0.00000 0.00085 0.00000 0.00675
|
|
25 12D+2 0.00000 -0.00131 0.00000 0.00393 0.00000
|
|
26 12D-2 0.00000 -0.00153 0.00000 -0.00521 0.00000
|
|
27 13D 0 0.00000 0.04715 0.00000 0.05560 0.00000
|
|
28 13D+1 0.02282 0.00000 0.05232 0.00000 -0.06349
|
|
29 13D-1 -0.03085 0.00000 0.00094 0.00000 -0.02312
|
|
30 13D+2 0.00000 -0.01227 0.00000 -0.02822 0.00000
|
|
31 13D-2 0.00000 0.00667 0.00000 -0.00548 0.00000
|
|
32 14D 0 0.00000 -1.81662 0.00000 1.05668 0.00000
|
|
33 14D+1 -0.14395 0.00000 -1.77692 0.00000 -1.03466
|
|
34 14D-1 0.42567 0.00000 -0.77054 0.00000 -1.19550
|
|
35 14D+2 0.00000 0.80874 0.00000 -0.84063 0.00000
|
|
36 14D-2 0.00000 -0.83195 0.00000 1.34306 0.00000
|
|
37 15D 0 0.00000 -2.68864 0.00000 3.92786 0.00000
|
|
38 15D+1 0.93435 0.00000 -3.51422 0.00000 -3.89759
|
|
39 15D-1 -0.27871 0.00000 -2.37837 0.00000 -3.36133
|
|
40 15D+2 0.00000 1.24869 0.00000 -3.19769 0.00000
|
|
41 15D-2 0.00000 -2.23580 0.00000 2.70335 0.00000
|
|
42 16F 0 0.00253 0.00000 0.01168 0.00000 -0.00437
|
|
43 16F+1 0.00000 0.00793 0.00000 0.00081 0.00000
|
|
44 16F-1 0.00000 0.00983 0.00000 -0.00441 0.00000
|
|
45 16F+2 0.01239 0.00000 0.00362 0.00000 0.01351
|
|
46 16F-2 -0.00410 0.00000 0.01122 0.00000 0.00363
|
|
47 16F+3 0.00000 0.01185 0.00000 -0.00117 0.00000
|
|
48 16F-3 0.00000 -0.00347 0.00000 0.00613 0.00000
|
|
49 17F 0 -0.02216 0.00000 -0.12009 0.00000 0.02362
|
|
50 17F+1 0.00000 -0.09573 0.00000 -0.00731 0.00000
|
|
51 17F-1 0.00000 -0.16528 0.00000 0.11748 0.00000
|
|
52 17F+2 -0.11324 0.00000 -0.03749 0.00000 -0.14724
|
|
53 17F-2 0.03925 0.00000 -0.16310 0.00000 -0.12478
|
|
54 17F+3 0.00000 -0.11856 0.00000 0.06518 0.00000
|
|
55 17F-3 0.00000 0.05324 0.00000 -0.10662 0.00000
|
|
56 18F 0 -0.11611 0.00000 -0.71627 0.00000 0.20464
|
|
57 18F+1 0.00000 -0.32981 0.00000 -0.10450 0.00000
|
|
58 18F-1 0.00000 -0.69791 0.00000 0.43994 0.00000
|
|
59 18F+2 -0.64921 0.00000 -0.32044 0.00000 -0.65616
|
|
60 18F-2 0.19757 0.00000 -0.78672 0.00000 -0.37342
|
|
61 18F+3 0.00000 -0.76783 0.00000 0.19523 0.00000
|
|
62 18F-3 0.00000 0.34488 0.00000 -0.31754 0.00000
|
|
63 19G 0 0.00000 -0.00074 0.00000 -0.01004 0.00000
|
|
64 19G+1 0.00198 0.00000 -0.00165 0.00000 -0.01055
|
|
65 19G-1 -0.00388 0.00000 -0.00543 0.00000 -0.00883
|
|
66 19G+2 0.00000 -0.00406 0.00000 0.00683 0.00000
|
|
67 19G-2 0.00000 -0.00510 0.00000 0.00364 0.00000
|
|
68 19G+3 -0.00015 0.00000 -0.00140 0.00000 0.00674
|
|
69 19G-3 -0.00168 0.00000 -0.00768 0.00000 -0.00328
|
|
70 19G+4 0.00000 0.00460 0.00000 -0.00265 0.00000
|
|
71 19G-4 0.00000 -0.00857 0.00000 0.00497 0.00000
|
|
72 20G 0 0.00000 0.04230 0.00000 -0.12041 0.00000
|
|
73 20G+1 -0.04252 0.00000 -0.09704 0.00000 -0.17610
|
|
74 20G-1 0.08081 0.00000 -0.08427 0.00000 -0.01073
|
|
75 20G+2 0.00000 -0.05598 0.00000 0.08700 0.00000
|
|
76 20G-2 0.00000 -0.05545 0.00000 0.04720 0.00000
|
|
77 20G+3 -0.10092 0.00000 -0.02671 0.00000 0.03626
|
|
78 20G-3 -0.02051 0.00000 0.01782 0.00000 -0.15030
|
|
79 20G+4 0.00000 0.04012 0.00000 -0.04230 0.00000
|
|
80 20G-4 0.00000 -0.01066 0.00000 0.13424 0.00000
|
|
81 21H 0 0.00216 0.00000 0.01623 0.00000 -0.00246
|
|
82 21H+1 0.00000 -0.01829 0.00000 -0.00495 0.00000
|
|
83 21H-1 0.00000 -0.01312 0.00000 -0.01164 0.00000
|
|
84 21H+2 -0.01673 0.00000 -0.01510 0.00000 0.00385
|
|
85 21H-2 0.00553 0.00000 -0.01175 0.00000 -0.01886
|
|
86 21H+3 0.00000 0.01131 0.00000 -0.00523 0.00000
|
|
87 21H-3 0.00000 -0.00542 0.00000 0.01993 0.00000
|
|
88 21H+4 -0.00121 0.00000 0.00623 0.00000 -0.00050
|
|
89 21H-4 -0.00970 0.00000 -0.01164 0.00000 0.00694
|
|
90 21H+5 0.00000 -0.00308 0.00000 -0.00436 0.00000
|
|
91 21H-5 0.00000 0.00788 0.00000 -0.01086 0.00000
|
|
92 2 O 1S 0.00000 -0.00494 0.00000 0.01010 0.00000
|
|
93 2S 0.00000 0.00676 0.00000 -0.01709 0.00000
|
|
94 3S 0.00000 -0.01203 0.00000 0.00881 0.00000
|
|
95 4S 0.00000 0.09232 0.00000 -0.13783 0.00000
|
|
96 5S 0.00000 0.02431 0.00000 0.20640 0.00000
|
|
97 6S 0.00000 -0.47680 0.00000 -0.78858 0.00000
|
|
98 7PX 0.00000 -0.01219 0.00000 0.00315 0.00000
|
|
99 7PY 0.00000 -0.00635 0.00000 0.01308 0.00000
|
|
100 7PZ 0.00465 0.00000 -0.00844 0.00000 -0.02558
|
|
101 8PX 0.00000 -0.02205 0.00000 -0.01615 0.00000
|
|
102 8PY 0.00000 0.00337 0.00000 0.03125 0.00000
|
|
103 8PZ 0.03430 0.00000 -0.05184 0.00000 -0.03681
|
|
104 9PX 0.00000 0.05075 0.00000 0.08685 0.00000
|
|
105 9PY 0.00000 -0.08027 0.00000 -0.00183 0.00000
|
|
106 9PZ -0.04102 0.00000 0.12368 0.00000 -0.09441
|
|
107 10PX 0.00000 -1.26727 0.00000 0.28682 0.00000
|
|
108 10PY 0.00000 -0.64826 0.00000 -0.08227 0.00000
|
|
109 10PZ -0.54290 0.00000 -0.05514 0.00000 -0.84802
|
|
110 11PX 0.00000 -1.68150 0.00000 -1.87595 0.00000
|
|
111 11PY 0.00000 -0.05690 0.00000 -0.18845 0.00000
|
|
112 11PZ -2.22492 0.00000 0.51400 0.00000 0.24799
|
|
113 12D 0 0.00000 -0.00117 0.00000 -0.00027 0.00000
|
|
114 12D+1 0.00148 0.00000 -0.00137 0.00000 -0.00246
|
|
115 12D-1 0.00214 0.00000 -0.00137 0.00000 -0.00034
|
|
116 12D+2 0.00000 -0.00018 0.00000 -0.00014 0.00000
|
|
117 12D-2 0.00000 0.00037 0.00000 0.00031 0.00000
|
|
118 13D 0 0.00000 0.00141 0.00000 0.00473 0.00000
|
|
119 13D+1 0.00296 0.00000 -0.00760 0.00000 0.01566
|
|
120 13D-1 -0.00334 0.00000 0.01389 0.00000 0.00218
|
|
121 13D+2 0.00000 0.00709 0.00000 -0.00181 0.00000
|
|
122 13D-2 0.00000 0.01051 0.00000 -0.00021 0.00000
|
|
123 14D 0 0.00000 -0.01499 0.00000 -0.03047 0.00000
|
|
124 14D+1 -0.00667 0.00000 0.05454 0.00000 -0.10549
|
|
125 14D-1 0.05114 0.00000 -0.03553 0.00000 0.01696
|
|
126 14D+2 0.00000 -0.04180 0.00000 0.03468 0.00000
|
|
127 14D-2 0.00000 -0.04704 0.00000 -0.02656 0.00000
|
|
128 15D 0 0.00000 0.14467 0.00000 -0.13857 0.00000
|
|
129 15D+1 -0.33885 0.00000 0.55210 0.00000 -0.37311
|
|
130 15D-1 -0.39202 0.00000 -0.54618 0.00000 0.09018
|
|
131 15D+2 0.00000 -0.50428 0.00000 0.15036 0.00000
|
|
132 15D-2 0.00000 -1.03245 0.00000 -0.29763 0.00000
|
|
133 16F 0 0.00311 0.00000 0.00189 0.00000 0.00016
|
|
134 16F+1 0.00000 0.00144 0.00000 0.00008 0.00000
|
|
135 16F-1 0.00000 0.00013 0.00000 -0.00072 0.00000
|
|
136 16F+2 0.00182 0.00000 0.00097 0.00000 0.00119
|
|
137 16F-2 -0.00044 0.00000 0.00016 0.00000 -0.00073
|
|
138 16F+3 0.00000 0.00370 0.00000 -0.00012 0.00000
|
|
139 16F-3 0.00000 -0.00065 0.00000 0.00101 0.00000
|
|
140 17F 0 -0.01541 0.00000 -0.01249 0.00000 0.00113
|
|
141 17F+1 0.00000 -0.00775 0.00000 -0.00292 0.00000
|
|
142 17F-1 0.00000 0.00093 0.00000 0.00503 0.00000
|
|
143 17F+2 -0.01069 0.00000 -0.00515 0.00000 -0.00800
|
|
144 17F-2 0.00402 0.00000 -0.00203 0.00000 0.00488
|
|
145 17F+3 0.00000 -0.02408 0.00000 0.00174 0.00000
|
|
146 17F-3 0.00000 0.00189 0.00000 -0.00836 0.00000
|
|
147 18F 0 0.13003 0.00000 -0.04144 0.00000 0.10332
|
|
148 18F+1 0.00000 0.09641 0.00000 -0.03811 0.00000
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|
399 15G+3 -0.00264 0.00137 -0.00187 -0.00042 -0.00227
|
|
400 15G-3 -0.00168 -0.00113 -0.00104 -0.00110 0.00113
|
|
401 15G+4 0.00035 -0.00095 0.00039 -0.00013 0.00068
|
|
402 15G-4 0.00146 0.00007 0.00062 0.00010 0.00056
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|
31 32 33 34 35
|
|
V V V V V
|
|
Eigenvalues -- 0.66445 0.69315 0.73662 0.75759 0.80337
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1 1 C 1S 0.00000 0.01037 0.00971 0.01443 0.00000
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2 2S 0.00000 -0.01850 -0.01668 -0.04207 0.00000
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3 3S 0.00000 0.07406 0.00009 -0.08845 0.00000
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4 4S 0.00000 -1.42023 0.03240 0.35912 0.00000
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5 5S 0.00000 3.14373 1.25544 0.55802 0.00000
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6 6S 0.00000 1.52146 -2.07384 -5.92674 0.00000
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7 7PX 0.00000 0.00513 -0.00501 -0.01881 0.00000
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8 7PY 0.00000 0.00936 0.02304 0.03854 0.00000
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9 7PZ -0.00688 0.00000 0.00000 0.00000 0.03084
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10 8PX 0.00000 0.02021 -0.05598 -0.13538 0.00000
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11 8PY 0.00000 0.16526 0.10672 -0.01798 0.00000
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12 8PZ 0.03262 0.00000 0.00000 0.00000 0.31726
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13 9PX 0.00000 0.26093 -0.39219 0.11747 0.00000
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14 9PY 0.00000 -2.02053 -0.41835 0.55618 0.00000
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15 9PZ -0.88438 0.00000 0.00000 0.00000 -2.68331
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16 10PX 0.00000 1.83908 1.71736 -1.20366 0.00000
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17 10PY 0.00000 -0.73810 1.88681 3.22251 0.00000
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18 10PZ -3.83166 0.00000 0.00000 0.00000 -6.15505
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19 11PX 0.00000 0.26546 -0.18483 -1.56159 0.00000
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20 11PY 0.00000 -0.32526 0.55014 1.38640 0.00000
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21 11PZ -0.66876 0.00000 0.00000 0.00000 1.86947
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22 12D 0 0.00000 0.00472 0.00230 0.00354 0.00000
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23 12D+1 0.00366 0.00000 0.00000 0.00000 0.00455
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24 12D-1 0.00422 0.00000 0.00000 0.00000 0.00406
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25 12D+2 0.00000 0.01365 -0.00155 -0.00074 0.00000
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26 12D-2 0.00000 -0.00169 -0.00077 0.00252 0.00000
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27 13D 0 0.00000 -0.02216 -0.00822 -0.08265 0.00000
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28 13D+1 -0.04470 0.00000 0.00000 0.00000 0.03284
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29 13D-1 -0.02966 0.00000 0.00000 0.00000 0.02703
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31 13D-2 0.00000 0.01680 0.04078 -0.04259 0.00000
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32 14D 0 0.00000 -0.06493 -0.30790 1.55418 0.00000
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33 14D+1 0.22433 0.00000 0.00000 0.00000 -2.00481
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34 14D-1 -0.08242 0.00000 0.00000 0.00000 -2.11491
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35 14D+2 0.00000 0.89768 -0.04409 -0.11136 0.00000
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36 14D-2 0.00000 -0.01556 -1.05794 0.71726 0.00000
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37 15D 0 0.00000 1.52844 1.40748 3.17079 0.00000
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38 15D+1 0.09861 0.00000 0.00000 0.00000 -2.51388
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39 15D-1 -0.58806 0.00000 0.00000 0.00000 -4.30469
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40 15D+2 0.00000 3.98507 -0.26003 0.98765 0.00000
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41 15D-2 0.00000 0.60251 -0.09726 1.38563 0.00000
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42 16F 0 0.02457 0.00000 0.00000 0.00000 -0.00219
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43 16F+1 0.00000 -0.01449 0.00336 0.00325 0.00000
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44 16F-1 0.00000 -0.00153 0.00912 -0.01331 0.00000
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45 16F+2 -0.01603 0.00000 0.00000 0.00000 -0.01231
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46 16F-2 -0.00878 0.00000 0.00000 0.00000 0.02789
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47 16F+3 0.00000 0.00496 -0.00577 0.00657 0.00000
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48 16F-3 0.00000 -0.01205 -0.00459 0.02070 0.00000
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49 17F 0 -0.25768 0.00000 0.00000 0.00000 0.01412
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50 17F+1 0.00000 0.11792 -0.01704 0.02648 0.00000
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51 17F-1 0.00000 -0.00314 -0.10469 0.17110 0.00000
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52 17F+2 0.15470 0.00000 0.00000 0.00000 0.13473
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53 17F-2 0.05743 0.00000 0.00000 0.00000 -0.36902
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54 17F+3 0.00000 -0.01780 0.07126 -0.08222 0.00000
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55 17F-3 0.00000 0.10435 0.07974 -0.18132 0.00000
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56 18F 0 -1.14974 0.00000 0.00000 0.00000 0.14390
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57 18F+1 0.00000 1.40156 0.12489 0.22069 0.00000
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58 18F-1 0.00000 -0.56217 -0.54498 0.79234 0.00000
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59 18F+2 0.78035 0.00000 0.00000 0.00000 0.61802
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60 18F-2 0.50650 0.00000 0.00000 0.00000 -1.55911
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61 18F+3 0.00000 -0.35080 0.72584 0.02014 0.00000
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62 18F-3 0.00000 -0.30251 0.55034 -1.17220 0.00000
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63 19G 0 0.00000 0.00330 0.00294 -0.00167 0.00000
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65 19G-1 -0.00056 0.00000 0.00000 0.00000 -0.00575
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66 19G+2 0.00000 0.00760 -0.00177 -0.00183 0.00000
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67 19G-2 0.00000 -0.00584 0.00410 0.00504 0.00000
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68 19G+3 0.00024 0.00000 0.00000 0.00000 0.00124
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69 19G-3 -0.00243 0.00000 0.00000 0.00000 -0.00393
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70 19G+4 0.00000 0.01128 -0.00066 -0.00035 0.00000
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71 19G-4 0.00000 0.00181 0.00184 -0.00125 0.00000
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72 20G 0 0.00000 0.04033 0.03332 0.03461 0.00000
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73 20G+1 -0.04660 0.00000 0.00000 0.00000 0.09658
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74 20G-1 -0.17989 0.00000 0.00000 0.00000 -0.08516
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75 20G+2 0.00000 0.10635 0.11490 -0.09355 0.00000
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76 20G-2 0.00000 0.03995 -0.03185 -0.00618 0.00000
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77 20G+3 -0.02454 0.00000 0.00000 0.00000 0.13530
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78 20G-3 0.18237 0.00000 0.00000 0.00000 -0.01877
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79 20G+4 0.00000 0.04358 -0.12721 0.04506 0.00000
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80 20G-4 0.00000 0.01557 -0.03640 0.08187 0.00000
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81 21H 0 -0.00501 0.00000 0.00000 0.00000 0.02620
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82 21H+1 0.00000 0.00506 0.00809 0.01962 0.00000
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83 21H-1 0.00000 0.00228 0.00203 0.01706 0.00000
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84 21H+2 0.00655 0.00000 0.00000 0.00000 0.00661
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85 21H-2 -0.00353 0.00000 0.00000 0.00000 -0.01105
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86 21H+3 0.00000 0.02707 0.00284 -0.00703 0.00000
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87 21H-3 0.00000 0.01613 -0.00180 0.00379 0.00000
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88 21H+4 -0.00814 0.00000 0.00000 0.00000 0.02079
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89 21H-4 0.00310 0.00000 0.00000 0.00000 -0.00713
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90 21H+5 0.00000 -0.01054 0.01958 -0.01182 0.00000
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91 21H-5 0.00000 0.01201 0.00526 -0.00780 0.00000
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92 2 O 1S 0.00000 -0.01987 0.00493 0.00885 0.00000
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93 2S 0.00000 0.03942 -0.00567 -0.01339 0.00000
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94 3S 0.00000 0.00941 0.02513 0.03058 0.00000
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95 4S 0.00000 -0.13654 -0.38910 -0.62425 0.00000
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96 5S 0.00000 3.51143 1.66501 3.09950 0.00000
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97 6S 0.00000 1.57231 9.58082 12.01575 0.00000
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98 7PX 0.00000 0.00414 0.00260 0.01140 0.00000
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99 7PY 0.00000 0.02002 0.00589 0.02462 0.00000
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100 7PZ -0.00693 0.00000 0.00000 0.00000 -0.02427
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101 8PX 0.00000 -0.01279 -0.06351 -0.06777 0.00000
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102 8PY 0.00000 -0.01666 0.03854 0.07889 0.00000
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103 8PZ 0.00265 0.00000 0.00000 0.00000 -0.06374
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104 9PX 0.00000 0.35884 0.31563 0.59559 0.00000
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105 9PY 0.00000 0.27088 -0.09289 -0.22529 0.00000
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106 9PZ -0.06489 0.00000 0.00000 0.00000 0.02903
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107 10PX 0.00000 0.59271 3.20960 3.71444 0.00000
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108 10PY 0.00000 -0.91254 -2.10805 0.84856 0.00000
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109 10PZ -0.00486 0.00000 0.00000 0.00000 -1.21635
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110 11PX 0.00000 0.75416 2.66888 0.24381 0.00000
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111 11PY 0.00000 -0.89001 -1.65537 1.17032 0.00000
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112 11PZ 0.08131 0.00000 0.00000 0.00000 -1.53398
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113 12D 0 0.00000 0.00157 0.00005 -0.00416 0.00000
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114 12D+1 -0.00135 0.00000 0.00000 0.00000 -0.00080
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115 12D-1 0.00033 0.00000 0.00000 0.00000 0.00132
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116 12D+2 0.00000 -0.00030 -0.00043 -0.00148 0.00000
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117 12D-2 0.00000 -0.00018 -0.00091 0.00042 0.00000
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118 13D 0 0.00000 -0.00811 0.00884 0.03629 0.00000
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119 13D+1 0.01245 0.00000 0.00000 0.00000 0.00863
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120 13D-1 -0.00179 0.00000 0.00000 0.00000 -0.00160
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121 13D+2 0.00000 0.00690 0.00392 0.00641 0.00000
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122 13D-2 0.00000 0.00328 0.01577 0.00899 0.00000
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123 14D 0 0.00000 -0.08583 -0.11302 -0.28454 0.00000
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124 14D+1 -0.04546 0.00000 0.00000 0.00000 -0.06515
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125 14D-1 0.01002 0.00000 0.00000 0.00000 0.06274
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126 14D+2 0.00000 0.01139 0.08672 0.23127 0.00000
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127 14D-2 0.00000 -0.10637 -0.18278 -0.21792 0.00000
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128 15D 0 0.00000 0.39112 -0.75878 -0.57700 0.00000
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129 15D+1 0.09292 0.00000 0.00000 0.00000 -0.56487
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130 15D-1 0.13584 0.00000 0.00000 0.00000 -0.14144
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131 15D+2 0.00000 0.49023 1.12638 0.13961 0.00000
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132 15D-2 0.00000 -0.15592 -1.52048 -0.55576 0.00000
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133 16F 0 0.00152 0.00000 0.00000 0.00000 0.00033
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134 16F+1 0.00000 -0.00044 -0.00116 0.00360 0.00000
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135 16F-1 0.00000 0.00185 -0.00029 0.00217 0.00000
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136 16F+2 -0.00055 0.00000 0.00000 0.00000 0.00043
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137 16F-2 0.00193 0.00000 0.00000 0.00000 -0.00385
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138 16F+3 0.00000 0.00102 0.00207 -0.00329 0.00000
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139 16F-3 0.00000 0.00397 0.00265 0.00219 0.00000
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140 17F 0 -0.00583 0.00000 0.00000 0.00000 -0.00143
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141 17F+1 0.00000 -0.00594 -0.00191 -0.03398 0.00000
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142 17F-1 0.00000 -0.01068 0.00410 -0.00365 0.00000
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143 17F+2 0.00220 0.00000 0.00000 0.00000 -0.00600
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144 17F-2 -0.00950 0.00000 0.00000 0.00000 0.01953
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145 17F+3 0.00000 0.00006 -0.00860 0.03250 0.00000
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146 17F-3 0.00000 -0.03305 -0.02242 -0.02696 0.00000
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147 18F 0 0.05363 0.00000 0.00000 0.00000 0.13004
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148 18F+1 0.00000 0.00062 -0.16566 -0.13682 0.00000
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149 18F-1 0.00000 0.14191 0.11895 0.05886 0.00000
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150 18F+2 -0.04446 0.00000 0.00000 0.00000 -0.05111
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151 18F-2 0.09947 0.00000 0.00000 0.00000 -0.00399
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152 18F+3 0.00000 -0.05781 0.08043 0.04302 0.00000
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153 18F-3 0.00000 0.10496 -0.27273 -0.32121 0.00000
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154 19G 0 0.00000 0.00271 0.00068 0.00104 0.00000
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155 19G+1 0.00016 0.00000 0.00000 0.00000 -0.00140
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156 19G-1 0.00026 0.00000 0.00000 0.00000 -0.00075
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157 19G+2 0.00000 0.00157 0.00095 -0.00130 0.00000
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158 19G-2 0.00000 0.00230 -0.00184 0.00091 0.00000
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159 19G+3 0.00035 0.00000 0.00000 0.00000 0.00060
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160 19G-3 -0.00031 0.00000 0.00000 0.00000 -0.00241
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161 19G+4 0.00000 0.00346 -0.00021 -0.00041 0.00000
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162 19G-4 0.00000 -0.00152 0.00040 -0.00111 0.00000
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163 20G 0 0.00000 -0.01491 0.00349 0.01159 0.00000
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164 20G+1 0.00528 0.00000 0.00000 0.00000 0.01839
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165 20G-1 -0.00506 0.00000 0.00000 0.00000 0.00147
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166 20G+2 0.00000 -0.00831 -0.01433 -0.00790 0.00000
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167 20G-2 0.00000 -0.00653 0.02259 0.00856 0.00000
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168 20G+3 -0.00304 0.00000 0.00000 0.00000 -0.01170
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169 20G-3 0.00793 0.00000 0.00000 0.00000 0.02353
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170 20G+4 0.00000 -0.03267 -0.00519 0.01555 0.00000
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171 20G-4 0.00000 0.00369 -0.02776 -0.02327 0.00000
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172 21H 0 -0.00077 0.00000 0.00000 0.00000 -0.00185
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173 21H+1 0.00000 -0.00015 0.00044 0.00131 0.00000
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175 21H+2 0.00136 0.00000 0.00000 0.00000 0.00126
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178 21H-3 0.00000 -0.00088 0.00103 0.00171 0.00000
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179 21H+4 0.00007 0.00000 0.00000 0.00000 -0.00184
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180 21H-4 0.00214 0.00000 0.00000 0.00000 0.00080
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183 3 H 1S 0.00000 0.00025 -0.00150 0.00514 0.00000
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184 2S 0.00000 -0.01272 0.06113 0.02936 0.00000
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185 3S 0.00000 -2.23099 -0.38478 2.39999 0.00000
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186 4S 0.00000 1.44943 1.56311 -1.45626 0.00000
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187 5S 0.00000 -0.09193 -0.05084 -0.67583 0.00000
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188 6PX 0.00000 0.00868 -0.00571 -0.00446 0.00000
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189 6PY 0.00000 0.00756 -0.00161 0.00596 0.00000
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241 4S 0.00000 -3.40883 -6.84762 -3.58221 0.00000
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252 9PX 0.00000 1.58432 3.15819 2.72902 0.00000
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253 9PY 0.00000 -0.46733 1.47760 0.16081 0.00000
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254 9PZ 0.22294 0.00000 0.00000 0.00000 1.25058
|
|
255 10D 0 0.00000 -0.00413 -0.00396 -0.00680 0.00000
|
|
256 10D+1 0.00346 0.00000 0.00000 0.00000 0.00225
|
|
257 10D-1 -0.00400 0.00000 0.00000 0.00000 -0.00551
|
|
258 10D+2 0.00000 0.00982 -0.00113 0.00546 0.00000
|
|
259 10D-2 0.00000 0.00233 -0.00379 -0.00742 0.00000
|
|
260 11D 0 0.00000 0.02552 0.07316 0.10967 0.00000
|
|
261 11D+1 -0.02976 0.00000 0.00000 0.00000 -0.02967
|
|
262 11D-1 0.02410 0.00000 0.00000 0.00000 0.03446
|
|
263 11D+2 0.00000 -0.05998 -0.06296 -0.13270 0.00000
|
|
264 11D-2 0.00000 -0.02060 0.06382 0.10777 0.00000
|
|
265 12D 0 0.00000 0.20331 0.05306 0.26968 0.00000
|
|
266 12D+1 -0.05855 0.00000 0.00000 0.00000 -0.28481
|
|
267 12D-1 -0.07694 0.00000 0.00000 0.00000 0.03009
|
|
268 12D+2 0.00000 -0.41644 -0.69885 -0.55485 0.00000
|
|
269 12D-2 0.00000 0.18046 -0.31048 0.17704 0.00000
|
|
270 13F 0 -0.00225 0.00000 0.00000 0.00000 -0.00259
|
|
271 13F+1 0.00000 0.00283 -0.00804 -0.00999 0.00000
|
|
272 13F-1 0.00000 -0.00146 0.00674 0.00413 0.00000
|
|
273 13F+2 -0.00262 0.00000 0.00000 0.00000 -0.00380
|
|
274 13F-2 -0.00229 0.00000 0.00000 0.00000 0.00134
|
|
275 13F+3 0.00000 0.00105 -0.00218 0.00599 0.00000
|
|
276 13F-3 0.00000 0.00621 -0.00578 -0.01054 0.00000
|
|
277 14F 0 -0.00564 0.00000 0.00000 0.00000 -0.02951
|
|
278 14F+1 0.00000 -0.06720 -0.01120 -0.05336 0.00000
|
|
279 14F-1 0.00000 0.00783 -0.04560 0.01095 0.00000
|
|
280 14F+2 0.03802 0.00000 0.00000 0.00000 0.06398
|
|
281 14F-2 0.00708 0.00000 0.00000 0.00000 -0.03950
|
|
282 14F+3 0.00000 0.07246 0.12667 0.06359 0.00000
|
|
283 14F-3 0.00000 -0.05483 0.01595 -0.05268 0.00000
|
|
284 15G 0 0.00000 -0.00183 -0.00054 -0.00276 0.00000
|
|
285 15G+1 0.00118 0.00000 0.00000 0.00000 0.00384
|
|
286 15G-1 0.00063 0.00000 0.00000 0.00000 -0.00033
|
|
287 15G+2 0.00000 0.00357 0.00377 0.00340 0.00000
|
|
288 15G-2 0.00000 -0.00085 0.00223 -0.00208 0.00000
|
|
289 15G+3 -0.00199 0.00000 0.00000 0.00000 -0.00278
|
|
290 15G-3 0.00052 0.00000 0.00000 0.00000 0.00349
|
|
291 15G+4 0.00000 -0.00407 -0.00834 -0.00244 0.00000
|
|
292 15G-4 0.00000 0.00253 0.00152 0.00525 0.00000
|
|
293 5 H 1S -0.00226 0.00330 0.00210 0.00476 -0.00439
|
|
294 2S -0.06291 -0.00539 0.02412 0.09746 -0.24362
|
|
295 3S -0.10763 -0.95740 0.41132 -1.95924 4.23780
|
|
296 4S 4.10053 -1.70281 -0.99725 0.28955 8.06893
|
|
297 5S -0.11419 0.08920 0.23254 0.47169 -1.89141
|
|
298 6PX -0.00379 -0.00490 -0.00144 0.00096 0.00045
|
|
299 6PY -0.00145 0.00661 0.00162 0.00132 0.00284
|
|
300 6PZ 0.00005 -0.00427 -0.00007 -0.00413 -0.00079
|
|
301 7PX 0.03496 0.03603 0.01071 -0.01891 0.01073
|
|
302 7PY 0.01244 -0.04357 -0.01265 -0.01223 -0.01610
|
|
303 7PZ -0.00125 0.02918 0.00411 0.01893 0.03585
|
|
304 8PX -0.48471 -0.19521 -0.24364 0.53019 -0.64863
|
|
305 8PY -0.11446 0.46463 0.11706 0.26479 -0.22710
|
|
306 8PZ 0.21518 0.01622 -0.22569 0.27362 -1.41866
|
|
307 9PX -2.72905 -1.21497 -0.25063 1.75278 -1.33788
|
|
308 9PY -0.91044 2.04806 0.63108 -0.28181 1.16501
|
|
309 9PZ 0.13882 -0.18835 -0.08142 -0.97611 -3.19219
|
|
310 10D 0 0.00492 -0.00097 -0.00351 0.00028 -0.00931
|
|
311 10D+1 -0.00289 -0.00208 -0.00045 0.00686 -0.00682
|
|
312 10D-1 -0.00151 0.00257 0.00142 0.00359 -0.00724
|
|
313 10D+2 -0.00180 -0.00327 -0.00454 0.00010 -0.00056
|
|
314 10D-2 0.00180 -0.00007 -0.00173 0.00351 -0.00358
|
|
315 11D 0 -0.04000 -0.00466 0.02816 -0.01162 0.09735
|
|
316 11D+1 0.02126 0.00511 0.01493 -0.06125 0.09043
|
|
317 11D-1 0.00415 -0.03157 -0.00430 -0.03953 0.07681
|
|
318 11D+2 0.01600 0.01846 0.02736 -0.00553 0.00980
|
|
319 11D-2 -0.00531 -0.00795 0.00997 -0.03376 0.03963
|
|
320 12D 0 -0.50039 0.19991 0.06821 0.34610 0.64464
|
|
321 12D+1 0.47546 0.34905 0.23537 -0.31717 0.44368
|
|
322 12D-1 -0.00539 -0.29926 -0.10911 0.09941 -0.17983
|
|
323 12D+2 0.24902 0.51289 0.11509 -0.26415 0.29223
|
|
324 12D-2 0.44736 -0.06465 -0.07668 -0.13310 -0.12588
|
|
325 13F 0 -0.00358 0.00169 -0.00104 0.00285 0.00177
|
|
326 13F+1 -0.00078 -0.00048 0.00312 -0.00102 -0.00168
|
|
327 13F-1 -0.00289 0.00425 -0.00232 0.00231 -0.00378
|
|
328 13F+2 0.00318 0.00400 -0.00155 -0.00116 0.00381
|
|
329 13F-2 0.00387 0.00184 -0.00003 0.00337 -0.00658
|
|
330 13F+3 -0.00238 0.00346 0.00349 -0.00209 -0.00071
|
|
331 13F-3 0.00091 0.00481 0.00058 -0.00235 0.00089
|
|
332 14F 0 0.11894 -0.02643 -0.00678 -0.06945 -0.08603
|
|
333 14F+1 -0.01126 -0.04467 -0.04376 0.02860 -0.08165
|
|
334 14F-1 0.04457 0.00861 0.01365 -0.02924 -0.00841
|
|
335 14F+2 -0.06917 -0.10242 -0.02629 0.05643 -0.07609
|
|
336 14F-2 -0.07536 0.00202 0.00787 0.02135 0.03199
|
|
337 14F+3 0.00872 -0.05233 -0.03401 0.01242 -0.02144
|
|
338 14F-3 -0.04051 -0.04276 -0.01066 0.04568 -0.01972
|
|
339 15G 0 -0.00662 0.00024 -0.00008 0.00265 0.00322
|
|
340 15G+1 -0.00304 0.00359 0.00113 0.00151 0.00506
|
|
341 15G-1 -0.00437 -0.00071 0.00064 0.00271 0.00262
|
|
342 15G+2 0.00377 0.00636 0.00193 -0.00399 0.00410
|
|
343 15G-2 0.00310 0.00035 -0.00093 -0.00039 -0.00111
|
|
344 15G+3 0.00030 0.00329 0.00202 -0.00096 0.00369
|
|
345 15G-3 0.00450 0.00203 0.00092 -0.00373 0.00126
|
|
346 15G+4 -0.00070 0.00094 0.00021 0.00138 0.00051
|
|
347 15G-4 0.00157 0.00112 0.00081 -0.00142 0.00168
|
|
348 6 H 1S 0.00226 0.00330 0.00210 0.00476 0.00439
|
|
349 2S 0.06291 -0.00539 0.02412 0.09746 0.24362
|
|
350 3S 0.10763 -0.95740 0.41132 -1.95924 -4.23780
|
|
351 4S -4.10053 -1.70281 -0.99725 0.28955 -8.06893
|
|
352 5S 0.11419 0.08920 0.23254 0.47169 1.89141
|
|
353 6PX 0.00379 -0.00490 -0.00144 0.00096 -0.00045
|
|
354 6PY 0.00145 0.00661 0.00162 0.00132 -0.00284
|
|
355 6PZ 0.00005 0.00427 0.00007 0.00413 -0.00079
|
|
356 7PX -0.03496 0.03603 0.01071 -0.01891 -0.01073
|
|
357 7PY -0.01244 -0.04357 -0.01265 -0.01223 0.01610
|
|
358 7PZ -0.00125 -0.02918 -0.00411 -0.01893 0.03585
|
|
359 8PX 0.48471 -0.19521 -0.24364 0.53019 0.64863
|
|
360 8PY 0.11446 0.46463 0.11706 0.26479 0.22710
|
|
361 8PZ 0.21518 -0.01622 0.22569 -0.27362 -1.41866
|
|
362 9PX 2.72905 -1.21497 -0.25063 1.75278 1.33788
|
|
363 9PY 0.91044 2.04806 0.63108 -0.28181 -1.16501
|
|
364 9PZ 0.13882 0.18835 0.08142 0.97611 -3.19219
|
|
365 10D 0 -0.00492 -0.00097 -0.00351 0.00028 0.00931
|
|
366 10D+1 -0.00289 0.00208 0.00045 -0.00686 -0.00682
|
|
367 10D-1 -0.00151 -0.00257 -0.00142 -0.00359 -0.00724
|
|
368 10D+2 0.00180 -0.00327 -0.00454 0.00010 0.00056
|
|
369 10D-2 -0.00180 -0.00007 -0.00173 0.00351 0.00358
|
|
370 11D 0 0.04000 -0.00466 0.02816 -0.01162 -0.09735
|
|
371 11D+1 0.02126 -0.00511 -0.01493 0.06125 0.09043
|
|
372 11D-1 0.00415 0.03157 0.00430 0.03953 0.07681
|
|
373 11D+2 -0.01600 0.01846 0.02736 -0.00553 -0.00980
|
|
374 11D-2 0.00531 -0.00795 0.00997 -0.03376 -0.03963
|
|
375 12D 0 0.50039 0.19991 0.06821 0.34610 -0.64464
|
|
376 12D+1 0.47546 -0.34905 -0.23537 0.31717 0.44368
|
|
377 12D-1 -0.00539 0.29926 0.10911 -0.09941 -0.17983
|
|
378 12D+2 -0.24902 0.51289 0.11509 -0.26415 -0.29223
|
|
379 12D-2 -0.44736 -0.06465 -0.07668 -0.13310 0.12588
|
|
380 13F 0 -0.00358 -0.00169 0.00104 -0.00285 0.00177
|
|
381 13F+1 0.00078 -0.00048 0.00312 -0.00102 0.00168
|
|
382 13F-1 0.00289 0.00425 -0.00232 0.00231 0.00378
|
|
383 13F+2 0.00318 -0.00400 0.00155 0.00116 0.00381
|
|
384 13F-2 0.00387 -0.00184 0.00003 -0.00337 -0.00658
|
|
385 13F+3 0.00238 0.00346 0.00349 -0.00209 0.00071
|
|
386 13F-3 -0.00091 0.00481 0.00058 -0.00235 -0.00089
|
|
387 14F 0 0.11894 0.02643 0.00678 0.06945 -0.08603
|
|
388 14F+1 0.01126 -0.04467 -0.04376 0.02860 0.08165
|
|
389 14F-1 -0.04457 0.00861 0.01365 -0.02924 0.00841
|
|
390 14F+2 -0.06917 0.10242 0.02629 -0.05643 -0.07609
|
|
391 14F-2 -0.07536 -0.00202 -0.00787 -0.02135 0.03199
|
|
392 14F+3 -0.00872 -0.05233 -0.03401 0.01242 0.02144
|
|
393 14F-3 0.04051 -0.04276 -0.01066 0.04568 0.01972
|
|
394 15G 0 0.00662 0.00024 -0.00008 0.00265 -0.00322
|
|
395 15G+1 -0.00304 -0.00359 -0.00113 -0.00151 0.00506
|
|
396 15G-1 -0.00437 0.00071 -0.00064 -0.00271 0.00262
|
|
397 15G+2 -0.00377 0.00636 0.00193 -0.00399 -0.00410
|
|
398 15G-2 -0.00310 0.00035 -0.00093 -0.00039 0.00111
|
|
399 15G+3 0.00030 -0.00329 -0.00202 0.00096 0.00369
|
|
400 15G-3 0.00450 -0.00203 -0.00092 0.00373 0.00126
|
|
401 15G+4 0.00070 0.00094 0.00021 0.00138 -0.00051
|
|
402 15G-4 -0.00157 0.00112 0.00081 -0.00142 -0.00168
|
|
36 37 38 39 40
|
|
V V V V V
|
|
Eigenvalues -- 0.81868 0.87173 0.88381 0.88505 0.92142
|
|
1 1 C 1S 0.03399 -0.00616 0.00000 -0.00539 -0.02098
|
|
2 2S -0.05246 0.03444 0.00000 -0.00524 -0.01752
|
|
3 3S 0.03538 0.18308 0.00000 -0.13114 -0.25147
|
|
4 4S 0.45752 -2.04677 0.00000 1.44235 -2.04760
|
|
5 5S -3.41118 4.33482 0.00000 -2.52007 24.10675
|
|
6 6S 0.41338 5.27643 0.00000 -0.13343 18.43339
|
|
7 7PX -0.00581 -0.03913 0.00000 -0.01907 0.03424
|
|
8 7PY 0.10626 -0.00627 0.00000 -0.02192 0.01852
|
|
9 7PZ 0.00000 0.00000 0.01951 0.00000 0.00000
|
|
10 8PX -0.00705 -0.29136 0.00000 -0.10908 0.31789
|
|
11 8PY 0.18170 0.18497 0.00000 -0.21285 -0.14329
|
|
12 8PZ 0.00000 0.00000 0.14576 0.00000 0.00000
|
|
13 9PX 0.71314 2.19075 0.00000 2.80744 -3.22447
|
|
14 9PY 0.07257 -1.38695 0.00000 1.47181 2.26395
|
|
15 9PZ 0.00000 0.00000 -4.03640 0.00000 0.00000
|
|
16 10PX 1.22495 9.59879 0.00000 8.60061 -8.38258
|
|
17 10PY 3.07824 -6.69288 0.00000 5.30603 5.78748
|
|
18 10PZ 0.00000 0.00000 -10.21764 0.00000 0.00000
|
|
19 11PX 0.11223 -1.32698 0.00000 -0.29953 0.81407
|
|
20 11PY 1.56082 -0.55983 0.00000 -0.34625 0.34572
|
|
21 11PZ 0.00000 0.00000 -0.14370 0.00000 0.00000
|
|
22 12D 0 -0.00537 -0.00358 0.00000 -0.01093 0.00060
|
|
23 12D+1 0.00000 0.00000 0.01781 0.00000 0.00000
|
|
24 12D-1 0.00000 0.00000 0.01516 0.00000 0.00000
|
|
25 12D+2 0.00063 0.00149 0.00000 0.00573 -0.01241
|
|
26 12D-2 -0.00340 -0.00269 0.00000 -0.00784 0.00612
|
|
27 13D 0 0.05799 0.04101 0.00000 0.05171 0.03333
|
|
28 13D+1 0.00000 0.00000 -0.12758 0.00000 0.00000
|
|
29 13D-1 0.00000 0.00000 -0.10478 0.00000 0.00000
|
|
30 13D+2 0.01006 0.06030 0.00000 -0.07034 0.04624
|
|
31 13D-2 0.03375 0.00881 0.00000 0.06487 -0.02259
|
|
32 14D 0 -0.60534 -0.01462 0.00000 0.87190 -1.70093
|
|
33 14D+1 0.00000 0.00000 -0.39149 0.00000 0.00000
|
|
34 14D-1 0.00000 0.00000 -1.32159 0.00000 0.00000
|
|
35 14D+2 -0.74988 -2.12445 0.00000 0.57285 1.57651
|
|
36 14D-2 -0.01939 1.19190 0.00000 0.95330 -0.57320
|
|
37 15D 0 -0.16818 -0.08253 0.00000 -0.67567 -3.38740
|
|
38 15D+1 0.00000 0.00000 1.57931 0.00000 0.00000
|
|
39 15D-1 0.00000 0.00000 -1.61910 0.00000 0.00000
|
|
40 15D+2 1.15741 -4.23311 0.00000 1.52016 2.53483
|
|
41 15D-2 0.16040 3.84354 0.00000 0.42666 -0.27651
|
|
42 16F 0 0.00000 0.00000 -0.00225 0.00000 0.00000
|
|
43 16F+1 0.01716 0.00006 0.00000 0.00014 -0.01739
|
|
44 16F-1 0.00056 -0.02774 0.00000 0.00794 0.00144
|
|
45 16F+2 0.00000 0.00000 -0.00187 0.00000 0.00000
|
|
46 16F-2 0.00000 0.00000 0.00529 0.00000 0.00000
|
|
47 16F+3 -0.00124 0.00458 0.00000 -0.00078 0.01442
|
|
48 16F-3 -0.00599 -0.01163 0.00000 0.01911 -0.02224
|
|
49 17F 0 0.00000 0.00000 0.00174 0.00000 0.00000
|
|
50 17F+1 -0.16817 -0.07425 0.00000 0.04286 0.32747
|
|
51 17F-1 -0.00065 0.26487 0.00000 0.02101 0.01814
|
|
52 17F+2 0.00000 0.00000 0.00136 0.00000 0.00000
|
|
53 17F-2 0.00000 0.00000 -0.16804 0.00000 0.00000
|
|
54 17F+3 0.03167 0.01111 0.00000 0.01211 -0.25330
|
|
55 17F-3 0.02781 0.03127 0.00000 -0.19080 0.36165
|
|
56 18F 0 0.00000 0.00000 0.50040 0.00000 0.00000
|
|
57 18F+1 -0.44960 -0.02188 0.00000 -0.46282 0.54499
|
|
58 18F-1 -0.43878 1.05352 0.00000 -0.62748 -0.04239
|
|
59 18F+2 0.00000 0.00000 0.55175 0.00000 0.00000
|
|
60 18F-2 0.00000 0.00000 0.52643 0.00000 0.00000
|
|
61 18F+3 -0.13326 -0.26518 0.00000 -0.72415 -0.63262
|
|
62 18F-3 0.11056 0.12450 0.00000 -0.12602 0.94246
|
|
63 19G 0 -0.00366 -0.00177 0.00000 -0.00548 0.00226
|
|
64 19G+1 0.00000 0.00000 -0.00960 0.00000 0.00000
|
|
65 19G-1 0.00000 0.00000 -0.00371 0.00000 0.00000
|
|
66 19G+2 -0.00097 0.00535 0.00000 0.00285 -0.00667
|
|
67 19G-2 0.00120 -0.00134 0.00000 0.00452 0.01414
|
|
68 19G+3 0.00000 0.00000 0.00663 0.00000 0.00000
|
|
69 19G-3 0.00000 0.00000 -0.00246 0.00000 0.00000
|
|
70 19G+4 -0.00462 0.00516 0.00000 -0.00637 0.00688
|
|
71 19G-4 0.00126 0.00068 0.00000 -0.00063 -0.01126
|
|
72 20G 0 -0.03602 -0.06320 0.00000 -0.07000 -0.01166
|
|
73 20G+1 0.00000 0.00000 -0.03778 0.00000 0.00000
|
|
74 20G-1 0.00000 0.00000 -0.06310 0.00000 0.00000
|
|
75 20G+2 -0.02490 0.00441 0.00000 -0.01925 -0.11214
|
|
76 20G-2 -0.02279 0.08966 0.00000 -0.01320 0.14937
|
|
77 20G+3 0.00000 0.00000 0.05023 0.00000 0.00000
|
|
78 20G-3 0.00000 0.00000 -0.04336 0.00000 0.00000
|
|
79 20G+4 -0.03963 -0.00715 0.00000 0.00823 0.00490
|
|
80 20G-4 -0.00059 0.06481 0.00000 0.11145 -0.16312
|
|
81 21H 0 0.00000 0.00000 -0.00862 0.00000 0.00000
|
|
82 21H+1 -0.01079 -0.00334 0.00000 -0.00450 -0.02600
|
|
83 21H-1 -0.01053 -0.01307 0.00000 -0.00119 -0.01114
|
|
84 21H+2 0.00000 0.00000 0.00903 0.00000 0.00000
|
|
85 21H-2 0.00000 0.00000 -0.00403 0.00000 0.00000
|
|
86 21H+3 -0.00907 -0.01950 0.00000 0.00675 -0.00632
|
|
87 21H-3 -0.00884 -0.00229 0.00000 0.01169 -0.00469
|
|
88 21H+4 0.00000 0.00000 -0.00407 0.00000 0.00000
|
|
89 21H-4 0.00000 0.00000 0.01010 0.00000 0.00000
|
|
90 21H+5 0.01145 -0.00045 0.00000 -0.00263 -0.00297
|
|
91 21H-5 -0.00137 -0.02055 0.00000 0.00338 0.00844
|
|
92 2 O 1S -0.01310 -0.02413 0.00000 0.03335 -0.02042
|
|
93 2S 0.03027 0.03188 0.00000 -0.04811 0.02867
|
|
94 3S 0.01964 -0.08005 0.00000 0.07514 -0.03479
|
|
95 4S 0.33557 0.58345 0.00000 -0.81734 -0.36820
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|
348 6 H 1S 0.00551 0.00666 0.00440 0.00179 0.00457
|
|
349 2S -0.00993 0.05990 0.27000 0.14374 0.10431
|
|
350 3S 1.27250 -1.70429 -0.61380 0.24787 -0.99971
|
|
351 4S -1.85224 -4.01809 -12.32371 -7.90788 -5.51366
|
|
352 5S -0.09349 0.92116 0.95409 0.58472 -1.61400
|
|
353 6PX -0.00249 -0.00232 0.01024 -0.00181 0.00188
|
|
354 6PY 0.00728 0.00074 0.00287 -0.00221 0.00143
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|
355 6PZ -0.00161 -0.00209 -0.00661 -0.00838 -0.00284
|
|
356 7PX 0.01399 0.00899 -0.07734 0.00794 -0.01018
|
|
357 7PY -0.03061 0.00364 -0.02166 0.00950 -0.00758
|
|
358 7PZ 0.01289 0.01792 0.06396 0.06491 0.03893
|
|
359 8PX -0.23132 0.25006 0.60532 0.00510 0.14846
|
|
360 8PY -0.12956 0.05364 0.23209 0.00826 0.07374
|
|
361 8PZ 0.18013 -0.54150 -0.68043 -0.44469 -0.55506
|
|
362 9PX -0.06903 0.59593 3.60474 0.39456 -0.26632
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363 9PY -1.08751 -1.18267 1.27826 1.41221 -0.35550
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364 9PZ -0.92805 -1.48507 -4.79525 -3.64189 -2.93912
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|
365 10D 0 0.00085 0.00007 0.00023 -0.00037 0.00444
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366 10D+1 -0.00146 -0.00253 -0.00030 -0.00040 -0.00322
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|
367 10D-1 0.00408 -0.00169 -0.00271 -0.00112 0.00030
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|
368 10D+2 -0.00061 0.00331 0.00104 0.00232 0.00129
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369 10D-2 -0.00411 -0.00234 0.00309 0.00220 -0.00031
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370 11D 0 0.00817 -0.02251 -0.00344 0.00451 -0.03876
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371 11D+1 -0.00988 0.03876 0.00833 0.00189 0.03628
|
|
372 11D-1 -0.03777 0.02609 0.01870 0.00773 0.01034
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373 11D+2 0.00295 -0.02014 -0.00313 -0.01097 -0.00843
|
|
374 11D-2 0.03068 0.00556 -0.01987 -0.00818 -0.00081
|
|
375 12D 0 -0.26090 -0.30357 -0.50765 -0.60158 -0.56497
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|
376 12D+1 -0.00956 0.13628 0.92061 0.23794 0.06505
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377 12D-1 -0.14335 -0.31026 0.36871 0.31386 -0.01942
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378 12D+2 -0.09082 -0.15195 -0.27616 0.10950 -0.01997
|
|
379 12D-2 0.06274 0.09755 -0.20717 -0.11284 0.11350
|
|
380 13F 0 0.00325 0.00273 0.00119 0.00386 0.00415
|
|
381 13F+1 -0.00326 0.00231 -0.00322 -0.00146 0.00310
|
|
382 13F-1 0.00004 0.00572 -0.00151 0.00058 0.00258
|
|
383 13F+2 0.00146 0.00221 0.00368 -0.00198 0.00171
|
|
384 13F-2 0.00051 -0.00282 0.00184 0.00391 -0.00335
|
|
385 13F+3 -0.00037 -0.00250 -0.00266 0.00080 -0.00053
|
|
386 13F-3 -0.00214 -0.00029 0.00429 -0.00053 -0.00019
|
|
387 14F 0 -0.05537 -0.05627 -0.01674 -0.05345 -0.09828
|
|
388 14F+1 0.03363 0.02585 0.10061 0.04158 0.04095
|
|
389 14F-1 -0.01495 -0.04797 0.05336 0.04716 0.01700
|
|
390 14F+2 -0.02980 -0.05446 -0.06370 0.01925 -0.02153
|
|
391 14F-2 0.02364 0.03583 -0.06742 -0.04765 0.02286
|
|
392 14F+3 0.01777 0.03488 0.02086 -0.01119 0.01417
|
|
393 14F-3 0.00436 0.00151 0.00049 0.00428 -0.00695
|
|
394 15G 0 -0.00213 -0.00287 0.00060 0.00010 -0.00362
|
|
395 15G+1 0.00309 0.00207 0.00401 0.00242 0.00538
|
|
396 15G-1 0.00111 -0.00095 0.00302 0.00381 0.00353
|
|
397 15G+2 -0.00257 -0.00352 -0.00337 0.00042 -0.00080
|
|
398 15G-2 0.00050 0.00191 -0.00590 -0.00352 -0.00140
|
|
399 15G+3 0.00208 0.00312 0.00040 -0.00107 0.00097
|
|
400 15G-3 0.00008 0.00008 0.00356 0.00056 -0.00024
|
|
401 15G+4 -0.00083 -0.00054 0.00009 -0.00051 -0.00058
|
|
402 15G-4 -0.00055 -0.00054 -0.00092 0.00021 0.00056
|
|
41 42 43 44 45
|
|
V V V V V
|
|
Eigenvalues -- 0.94542 0.96095 1.00120 1.04006 1.04055
|
|
1 1 C 1S -0.02416 0.00000 -0.00573 0.00000 0.02556
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|
2 2S -0.01692 0.00000 -0.01540 0.00000 -0.02233
|
|
3 3S -0.28217 0.00000 -0.15198 0.00000 0.12891
|
|
4 4S -1.89876 0.00000 0.09898 0.00000 0.87207
|
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5 5S 24.90469 0.00000 6.54183 0.00000 -12.75517
|
|
6 6S 15.42028 0.00000 1.07683 0.00000 -10.94090
|
|
7 7PX -0.02732 0.00000 -0.04323 0.00000 -0.03750
|
|
8 7PY -0.00548 0.00000 -0.01433 0.00000 -0.01298
|
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9 7PZ 0.00000 0.02733 0.00000 -0.10961 0.00000
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|
10 8PX -0.18973 0.00000 -0.22117 0.00000 -0.21155
|
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11 8PY -0.16231 0.00000 -0.19211 0.00000 -0.32636
|
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12 8PZ 0.00000 0.23786 0.00000 -0.56508 0.00000
|
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13 9PX 2.74111 0.00000 -1.40056 0.00000 1.63612
|
|
14 9PY 2.31517 0.00000 1.37943 0.00000 0.75588
|
|
15 9PZ 0.00000 -3.60642 0.00000 0.12224 0.00000
|
|
16 10PX 6.82555 0.00000 3.72477 0.00000 7.36646
|
|
17 10PY 7.64693 0.00000 5.31619 0.00000 8.84882
|
|
18 10PZ 0.00000 -7.65179 0.00000 14.64631 0.00000
|
|
19 11PX -0.66766 0.00000 -0.94821 0.00000 -1.14784
|
|
20 11PY 0.61968 0.00000 0.63423 0.00000 0.12595
|
|
21 11PZ 0.00000 0.63353 0.00000 -1.52505 0.00000
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|
22 12D 0 -0.01220 0.00000 0.00916 0.00000 0.00132
|
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23 12D+1 0.00000 0.00941 0.00000 0.01568 0.00000
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24 12D-1 0.00000 0.01397 0.00000 0.01192 0.00000
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|
25 12D+2 0.00032 0.00000 -0.00763 0.00000 0.01184
|
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26 12D-2 -0.01278 0.00000 0.00995 0.00000 -0.00289
|
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27 13D 0 0.03726 0.00000 -0.06258 0.00000 -0.03812
|
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28 13D+1 0.00000 0.00308 0.00000 -0.11531 0.00000
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29 13D-1 0.00000 -0.08463 0.00000 -0.09126 0.00000
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30 13D+2 -0.01337 0.00000 0.00734 0.00000 -0.09888
|
|
31 13D-2 0.08384 0.00000 -0.08375 0.00000 -0.00427
|
|
32 14D 0 2.15244 0.00000 -0.65584 0.00000 0.43974
|
|
33 14D+1 0.00000 -3.24970 0.00000 0.17803 0.00000
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|
34 14D-1 0.00000 -0.21682 0.00000 0.57050 0.00000
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|
35 14D+2 -0.05044 0.00000 1.71354 0.00000 -0.12761
|
|
36 14D-2 0.16829 0.00000 0.73756 0.00000 0.58251
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|
37 15D 0 4.33655 0.00000 -0.88815 0.00000 1.13914
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|
38 15D+1 0.00000 -6.65733 0.00000 1.17483 0.00000
|
|
39 15D-1 0.00000 3.18636 0.00000 1.96045 0.00000
|
|
40 15D+2 0.02997 0.00000 2.19583 0.00000 0.53890
|
|
41 15D-2 -1.04658 0.00000 5.69170 0.00000 2.07992
|
|
42 16F 0 0.00000 0.00853 0.00000 -0.00276 0.00000
|
|
43 16F+1 -0.02057 0.00000 -0.00457 0.00000 0.00433
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|
44 16F-1 -0.01945 0.00000 0.00785 0.00000 0.00485
|
|
45 16F+2 0.00000 0.00733 0.00000 -0.00243 0.00000
|
|
46 16F-2 0.00000 0.02128 0.00000 -0.00921 0.00000
|
|
47 16F+3 0.00000 0.00000 0.00786 0.00000 -0.00659
|
|
48 16F-3 -0.00382 0.00000 0.00508 0.00000 0.01318
|
|
49 17F 0 0.00000 -0.13603 0.00000 0.03077 0.00000
|
|
50 17F+1 0.39935 0.00000 0.13932 0.00000 -0.14889
|
|
51 17F-1 0.35428 0.00000 -0.08338 0.00000 -0.04761
|
|
52 17F+2 0.00000 -0.11431 0.00000 0.04773 0.00000
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|
53 17F-2 0.00000 -0.31003 0.00000 -0.00735 0.00000
|
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54 17F+3 -0.00244 0.00000 -0.15744 0.00000 0.10223
|
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55 17F-3 0.10990 0.00000 0.04795 0.00000 -0.13947
|
|
56 18F 0 0.00000 -0.38753 0.00000 -0.07895 0.00000
|
|
57 18F+1 0.88710 0.00000 0.32817 0.00000 -0.28633
|
|
58 18F-1 0.51320 0.00000 -0.15310 0.00000 -0.19537
|
|
59 18F+2 0.00000 -0.37334 0.00000 -0.07578 0.00000
|
|
60 18F-2 0.00000 -0.74739 0.00000 0.01531 0.00000
|
|
61 18F+3 -0.08847 0.00000 -0.33111 0.00000 0.14971
|
|
62 18F-3 0.35886 0.00000 -0.06683 0.00000 -0.27481
|
|
63 19G 0 -0.00046 0.00000 -0.00312 0.00000 -0.00329
|
|
64 19G+1 0.00000 -0.00609 0.00000 -0.00973 0.00000
|
|
65 19G-1 0.00000 -0.00527 0.00000 -0.01480 0.00000
|
|
66 19G+2 0.00268 0.00000 -0.00850 0.00000 0.00197
|
|
67 19G-2 0.01742 0.00000 0.00123 0.00000 -0.00683
|
|
68 19G+3 0.00000 -0.00399 0.00000 0.00364 0.00000
|
|
69 19G-3 0.00000 -0.00442 0.00000 -0.01201 0.00000
|
|
70 19G+4 -0.00155 0.00000 0.00564 0.00000 0.00238
|
|
71 19G-4 -0.00191 0.00000 -0.00779 0.00000 0.00564
|
|
72 20G 0 0.01150 0.00000 -0.09461 0.00000 -0.11858
|
|
73 20G+1 0.00000 -0.04814 0.00000 0.26290 0.00000
|
|
74 20G-1 0.00000 -0.06628 0.00000 0.21601 0.00000
|
|
75 20G+2 0.02982 0.00000 0.06655 0.00000 -0.03272
|
|
76 20G-2 0.19557 0.00000 0.08366 0.00000 0.07380
|
|
77 20G+3 0.00000 -0.09739 0.00000 -0.05872 0.00000
|
|
78 20G-3 0.00000 -0.07126 0.00000 0.17268 0.00000
|
|
79 20G+4 -0.06389 0.00000 -0.03393 0.00000 -0.20283
|
|
80 20G-4 -0.02936 0.00000 0.06127 0.00000 -0.00074
|
|
81 21H 0 0.00000 0.01250 0.00000 0.00281 0.00000
|
|
82 21H+1 0.01671 0.00000 -0.01083 0.00000 -0.00507
|
|
83 21H-1 0.01608 0.00000 -0.00906 0.00000 -0.00021
|
|
84 21H+2 0.00000 -0.04242 0.00000 0.00656 0.00000
|
|
85 21H-2 0.00000 -0.00012 0.00000 0.03542 0.00000
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|
86 21H+3 -0.00296 0.00000 0.00132 0.00000 -0.01363
|
|
87 21H-3 0.00319 0.00000 0.02847 0.00000 0.01435
|
|
88 21H+4 0.00000 -0.00276 0.00000 0.00731 0.00000
|
|
89 21H-4 0.00000 -0.02399 0.00000 -0.00589 0.00000
|
|
90 21H+5 0.01492 0.00000 -0.01540 0.00000 0.00504
|
|
91 21H-5 0.01036 0.00000 0.00320 0.00000 0.00382
|
|
92 2 O 1S -0.01801 0.00000 0.00732 0.00000 -0.01334
|
|
93 2S 0.03717 0.00000 -0.00241 0.00000 0.02367
|
|
94 3S 0.00829 0.00000 0.04854 0.00000 0.00902
|
|
95 4S 0.33251 0.00000 0.23651 0.00000 -0.57985
|
|
96 5S -1.92760 0.00000 -4.56894 0.00000 4.31789
|
|
97 6S -7.44106 0.00000 -9.27227 0.00000 15.32618
|
|
98 7PX -0.00980 0.00000 -0.00670 0.00000 0.06016
|
|
99 7PY 0.00710 0.00000 0.00796 0.00000 0.01217
|
|
100 7PZ 0.00000 0.02499 0.00000 -0.01224 0.00000
|
|
101 8PX 0.03363 0.00000 0.11140 0.00000 -0.02367
|
|
102 8PY -0.00449 0.00000 -0.00933 0.00000 0.07033
|
|
103 8PZ 0.00000 0.09664 0.00000 -0.03692 0.00000
|
|
104 9PX -0.41679 0.00000 -1.04557 0.00000 1.24865
|
|
105 9PY 0.19173 0.00000 0.15547 0.00000 -0.53730
|
|
106 9PZ 0.00000 -0.14338 0.00000 0.07600 0.00000
|
|
107 10PX -4.34945 0.00000 -4.98773 0.00000 2.11587
|
|
108 10PY 0.41090 0.00000 3.74071 0.00000 3.27942
|
|
109 10PZ 0.00000 1.19182 0.00000 -0.96964 0.00000
|
|
110 11PX -1.65320 0.00000 -2.91513 0.00000 1.05051
|
|
111 11PY 0.25394 0.00000 1.84185 0.00000 1.48162
|
|
112 11PZ 0.00000 0.19243 0.00000 -0.38489 0.00000
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113 12D 0 0.00233 0.00000 -0.00241 0.00000 -0.00040
|
|
114 12D+1 0.00000 -0.00027 0.00000 0.00096 0.00000
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|
115 12D-1 0.00000 -0.00136 0.00000 -0.00100 0.00000
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|
116 12D+2 -0.00395 0.00000 -0.00474 0.00000 -0.00885
|
|
117 12D-2 0.00094 0.00000 -0.00166 0.00000 0.00154
|
|
118 13D 0 -0.01277 0.00000 0.00278 0.00000 0.01763
|
|
119 13D+1 0.00000 -0.00147 0.00000 -0.00670 0.00000
|
|
120 13D-1 0.00000 0.00140 0.00000 0.00485 0.00000
|
|
121 13D+2 0.01736 0.00000 0.03246 0.00000 0.01598
|
|
122 13D-2 -0.00583 0.00000 -0.00342 0.00000 0.01682
|
|
123 14D 0 0.18487 0.00000 0.22835 0.00000 -0.33998
|
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124 14D+1 0.00000 -0.00928 0.00000 0.01499 0.00000
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|
125 14D-1 0.00000 -0.05297 0.00000 -0.00444 0.00000
|
|
126 14D+2 -0.35365 0.00000 -0.50902 0.00000 0.20269
|
|
127 14D-2 0.14461 0.00000 0.22124 0.00000 -0.31206
|
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128 15D 0 0.56069 0.00000 0.41026 0.00000 -0.71912
|
|
129 15D+1 0.00000 -0.02259 0.00000 -0.13545 0.00000
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|
130 15D-1 0.00000 0.60552 0.00000 -0.74907 0.00000
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|
131 15D+2 -0.75756 0.00000 -2.01676 0.00000 -1.42848
|
|
132 15D-2 -0.33447 0.00000 0.80170 0.00000 -0.18408
|
|
133 16F 0 0.00000 0.00006 0.00000 0.00220 0.00000
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|
134 16F+1 -0.00217 0.00000 -0.00280 0.00000 0.00629
|
|
135 16F-1 0.00114 0.00000 0.00239 0.00000 0.00147
|
|
136 16F+2 0.00000 -0.00281 0.00000 0.00256 0.00000
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|
137 16F-2 0.00000 0.00165 0.00000 -0.00168 0.00000
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138 16F+3 0.00392 0.00000 0.00136 0.00000 -0.00545
|
|
139 16F-3 -0.00057 0.00000 -0.00440 0.00000 0.00873
|
|
140 17F 0 0.00000 0.00023 0.00000 -0.01035 0.00000
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|
141 17F+1 0.02400 0.00000 0.04204 0.00000 -0.06019
|
|
142 17F-1 -0.01209 0.00000 -0.02014 0.00000 0.00320
|
|
143 17F+2 0.00000 0.01640 0.00000 -0.01316 0.00000
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144 17F-2 0.00000 -0.00977 0.00000 0.00854 0.00000
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145 17F+3 -0.03484 0.00000 -0.02631 0.00000 0.05063
|
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146 17F-3 0.01263 0.00000 0.05254 0.00000 -0.07249
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147 18F 0 0.00000 -0.05353 0.00000 0.15465 0.00000
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148 18F+1 0.15021 0.00000 0.14340 0.00000 -0.00279
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149 18F-1 0.01557 0.00000 -0.10454 0.00000 -0.07479
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150 18F+2 0.00000 -0.13187 0.00000 0.17326 0.00000
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151 18F-2 0.00000 0.02873 0.00000 -0.02173 0.00000
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152 18F+3 -0.10232 0.00000 -0.18622 0.00000 -0.11635
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153 18F-3 0.06561 0.00000 -0.09137 0.00000 -0.30459
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154 19G 0 0.00017 0.00000 -0.00216 0.00000 0.00255
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155 19G+1 0.00000 -0.00032 0.00000 -0.00032 0.00000
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156 19G-1 0.00000 0.00227 0.00000 -0.00296 0.00000
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157 19G+2 0.00050 0.00000 0.00153 0.00000 -0.00584
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158 19G-2 -0.00209 0.00000 -0.00188 0.00000 0.00197
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159 19G+3 0.00000 0.00083 0.00000 -0.00039 0.00000
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160 19G-3 0.00000 0.00236 0.00000 -0.00268 0.00000
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161 19G+4 0.00128 0.00000 -0.00372 0.00000 -0.00002
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162 19G-4 -0.00012 0.00000 0.00473 0.00000 -0.00333
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163 20G 0 -0.01181 0.00000 -0.00265 0.00000 0.01519
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164 20G+1 0.00000 0.00048 0.00000 0.00275 0.00000
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165 20G-1 0.00000 -0.01545 0.00000 0.02458 0.00000
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166 20G+2 0.01290 0.00000 0.01817 0.00000 0.01633
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167 20G-2 0.00837 0.00000 -0.00381 0.00000 0.01221
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168 20G+3 0.00000 -0.00318 0.00000 0.00144 0.00000
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169 20G-3 0.00000 -0.01741 0.00000 0.02443 0.00000
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170 20G+4 -0.02807 0.00000 0.01633 0.00000 0.01820
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171 20G-4 0.01644 0.00000 0.00537 0.00000 -0.02874
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172 21H 0 0.00000 0.00122 0.00000 -0.00182 0.00000
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173 21H+1 -0.00112 0.00000 -0.00080 0.00000 0.00200
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174 21H-1 -0.00110 0.00000 0.00072 0.00000 0.00030
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175 21H+2 0.00000 0.00159 0.00000 -0.00229 0.00000
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176 21H-2 0.00000 0.00008 0.00000 -0.00037 0.00000
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177 21H+3 0.00005 0.00000 -0.00012 0.00000 -0.00106
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178 21H-3 -0.00038 0.00000 -0.00004 0.00000 0.00463
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179 21H+4 0.00000 0.00146 0.00000 -0.00146 0.00000
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180 21H-4 0.00000 -0.00031 0.00000 0.00106 0.00000
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181 21H+5 -0.00348 0.00000 0.00018 0.00000 -0.00094
|
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182 21H-5 -0.00037 0.00000 0.00173 0.00000 -0.00085
|
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183 3 H 1S 0.00386 0.00000 -0.00763 0.00000 0.00269
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184 2S 0.00012 0.00000 0.21333 0.00000 -0.22129
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185 3S -0.97476 0.00000 -1.17933 0.00000 2.18539
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186 4S 0.47163 0.00000 -3.10219 0.00000 11.84417
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187 5S -2.41235 0.00000 -1.60083 0.00000 -1.00296
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188 6PX -0.00039 0.00000 -0.00881 0.00000 0.00381
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189 6PY -0.00540 0.00000 0.00273 0.00000 -0.00029
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190 6PZ 0.00000 -0.00119 0.00000 -0.00717 0.00000
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191 7PX 0.00803 0.00000 0.09158 0.00000 -0.04480
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192 7PY 0.03875 0.00000 -0.04111 0.00000 0.01604
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193 7PZ 0.00000 0.03163 0.00000 0.04656 0.00000
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194 8PX -0.26875 0.00000 -0.82945 0.00000 0.88736
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195 8PY -0.21886 0.00000 0.40075 0.00000 -0.45541
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196 8PZ 0.00000 -0.36925 0.00000 -0.39918 0.00000
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|
197 9PX 0.03756 0.00000 -2.04533 0.00000 4.34891
|
|
198 9PY -1.59827 0.00000 4.07104 0.00000 -2.36489
|
|
199 9PZ 0.00000 -4.65981 0.00000 -2.07828 0.00000
|
|
200 10D 0 -0.00310 0.00000 -0.00360 0.00000 0.00266
|
|
201 10D+1 0.00000 -0.00013 0.00000 -0.00390 0.00000
|
|
202 10D-1 0.00000 -0.00457 0.00000 -0.00122 0.00000
|
|
203 10D+2 0.00189 0.00000 0.00735 0.00000 -0.00145
|
|
204 10D-2 0.00115 0.00000 -0.00344 0.00000 0.00501
|
|
205 11D 0 0.03194 0.00000 0.01569 0.00000 -0.03392
|
|
206 11D+1 0.00000 -0.00327 0.00000 -0.00323 0.00000
|
|
207 11D-1 0.00000 0.03437 0.00000 0.01662 0.00000
|
|
208 11D+2 -0.03289 0.00000 -0.04491 0.00000 0.03032
|
|
209 11D-2 -0.00289 0.00000 0.01780 0.00000 -0.05818
|
|
210 12D 0 -0.16905 0.00000 0.54589 0.00000 -0.35580
|
|
211 12D+1 0.00000 -1.09648 0.00000 -0.69428 0.00000
|
|
212 12D-1 0.00000 0.07363 0.00000 0.09853 0.00000
|
|
213 12D+2 -0.16098 0.00000 -0.25690 0.00000 0.33725
|
|
214 12D-2 -0.43010 0.00000 0.94920 0.00000 -0.60570
|
|
215 13F 0 0.00000 -0.00463 0.00000 -0.00148 0.00000
|
|
216 13F+1 0.00388 0.00000 -0.00545 0.00000 -0.00130
|
|
217 13F-1 -0.00397 0.00000 0.00468 0.00000 -0.00057
|
|
218 13F+2 0.00000 0.00735 0.00000 0.00193 0.00000
|
|
219 13F-2 0.00000 0.00189 0.00000 0.00183 0.00000
|
|
220 13F+3 -0.00141 0.00000 -0.00281 0.00000 0.00300
|
|
221 13F-3 0.00302 0.00000 -0.00545 0.00000 -0.00044
|
|
222 14F 0 0.00000 0.11966 0.00000 0.06641 0.00000
|
|
223 14F+1 -0.01571 0.00000 0.09691 0.00000 -0.04681
|
|
224 14F-1 0.03725 0.00000 -0.06071 0.00000 0.03367
|
|
225 14F+2 0.00000 -0.14850 0.00000 -0.07954 0.00000
|
|
226 14F-2 0.00000 0.04512 0.00000 0.02339 0.00000
|
|
227 14F+3 -0.05260 0.00000 0.02293 0.00000 -0.01003
|
|
228 14F-3 -0.04920 0.00000 0.15027 0.00000 -0.09259
|
|
229 15G 0 0.00063 0.00000 -0.00354 0.00000 0.00277
|
|
230 15G+1 0.00000 0.00929 0.00000 0.00400 0.00000
|
|
231 15G-1 0.00000 -0.00111 0.00000 -0.00123 0.00000
|
|
232 15G+2 0.00060 0.00000 0.00317 0.00000 -0.00225
|
|
233 15G-2 0.00166 0.00000 -0.00438 0.00000 0.00324
|
|
234 15G+3 0.00000 -0.00681 0.00000 -0.00433 0.00000
|
|
235 15G-3 0.00000 0.00465 0.00000 0.00135 0.00000
|
|
236 15G+4 -0.00409 0.00000 0.00427 0.00000 -0.00139
|
|
237 15G-4 -0.00062 0.00000 0.00826 0.00000 -0.00511
|
|
238 4 H 1S -0.01845 0.00000 -0.00030 0.00000 -0.04625
|
|
239 2S -0.22036 0.00000 -0.43281 0.00000 0.38178
|
|
240 3S 2.80681 0.00000 4.66534 0.00000 -3.61204
|
|
241 4S 7.70365 0.00000 15.82439 0.00000 -3.54122
|
|
242 5S -0.58572 0.00000 0.04794 0.00000 -0.27896
|
|
243 6PX -0.00560 0.00000 -0.00248 0.00000 -0.02469
|
|
244 6PY 0.00537 0.00000 -0.00467 0.00000 0.00943
|
|
245 6PZ 0.00000 -0.00318 0.00000 0.00189 0.00000
|
|
246 7PX 0.05842 0.00000 0.09312 0.00000 0.04237
|
|
247 7PY -0.05203 0.00000 -0.00517 0.00000 -0.03019
|
|
248 7PZ 0.00000 0.01638 0.00000 -0.01059 0.00000
|
|
249 8PX -1.33017 0.00000 -2.05779 0.00000 1.24252
|
|
250 8PY 0.71085 0.00000 0.62564 0.00000 -0.20101
|
|
251 8PZ 0.00000 -0.05377 0.00000 0.05207 0.00000
|
|
252 9PX -2.98081 0.00000 -6.77541 0.00000 3.43098
|
|
253 9PY 1.72090 0.00000 3.65585 0.00000 -0.27224
|
|
254 9PZ 0.00000 0.61827 0.00000 -0.00511 0.00000
|
|
255 10D 0 0.00437 0.00000 0.00744 0.00000 -0.01536
|
|
256 10D+1 0.00000 -0.00038 0.00000 0.00237 0.00000
|
|
257 10D-1 0.00000 0.00511 0.00000 0.00194 0.00000
|
|
258 10D+2 -0.00230 0.00000 -0.01532 0.00000 0.01577
|
|
259 10D-2 0.00362 0.00000 0.00648 0.00000 -0.00948
|
|
260 11D 0 -0.07384 0.00000 -0.11509 0.00000 0.16257
|
|
261 11D+1 0.00000 0.00228 0.00000 -0.01260 0.00000
|
|
262 11D-1 0.00000 -0.02559 0.00000 -0.00878 0.00000
|
|
263 11D+2 0.08370 0.00000 0.18640 0.00000 -0.21472
|
|
264 11D-2 -0.08603 0.00000 -0.11016 0.00000 0.12712
|
|
265 12D 0 -0.35047 0.00000 -0.66819 0.00000 0.38852
|
|
266 12D+1 0.00000 -0.04543 0.00000 0.01675 0.00000
|
|
267 12D-1 0.00000 0.10498 0.00000 0.05118 0.00000
|
|
268 12D+2 0.23825 0.00000 0.69740 0.00000 -0.81409
|
|
269 12D-2 -0.62590 0.00000 -0.84255 0.00000 0.25846
|
|
270 13F 0 0.00000 0.00255 0.00000 -0.00180 0.00000
|
|
271 13F+1 0.00575 0.00000 0.00848 0.00000 -0.00684
|
|
272 13F-1 -0.00193 0.00000 -0.00155 0.00000 0.00192
|
|
273 13F+2 0.00000 0.00068 0.00000 -0.00052 0.00000
|
|
274 13F-2 0.00000 -0.00115 0.00000 0.00081 0.00000
|
|
275 13F+3 -0.00586 0.00000 -0.01056 0.00000 0.00879
|
|
276 13F-3 0.00977 0.00000 0.00786 0.00000 -0.00806
|
|
277 14F 0 0.00000 -0.00978 0.00000 0.00187 0.00000
|
|
278 14F+1 0.04959 0.00000 0.12529 0.00000 -0.14479
|
|
279 14F-1 -0.03798 0.00000 -0.05115 0.00000 0.03489
|
|
280 14F+2 0.00000 -0.00647 0.00000 0.00665 0.00000
|
|
281 14F-2 0.00000 0.00235 0.00000 -0.00162 0.00000
|
|
282 14F+3 0.02181 0.00000 -0.05889 0.00000 0.14567
|
|
283 14F-3 0.07948 0.00000 0.14760 0.00000 -0.13713
|
|
284 15G 0 0.00216 0.00000 0.00612 0.00000 -0.00627
|
|
285 15G+1 0.00000 -0.00071 0.00000 0.00081 0.00000
|
|
286 15G-1 0.00000 0.00001 0.00000 0.00028 0.00000
|
|
287 15G+2 -0.00092 0.00000 -0.00684 0.00000 0.00857
|
|
288 15G-2 0.00428 0.00000 0.00558 0.00000 -0.00442
|
|
289 15G+3 0.00000 0.00077 0.00000 -0.00049 0.00000
|
|
290 15G-3 0.00000 0.00051 0.00000 -0.00044 0.00000
|
|
291 15G+4 -0.00392 0.00000 0.00166 0.00000 -0.00734
|
|
292 15G-4 -0.00577 0.00000 -0.01006 0.00000 0.01280
|
|
293 5 H 1S 0.00872 -0.00118 0.01059 0.02494 0.00358
|
|
294 2S 0.37234 -0.25372 0.03634 -0.05868 -0.03847
|
|
295 3S -4.08289 2.99511 -1.05600 -1.52185 -0.28825
|
|
296 4S -17.07164 11.26486 -4.03355 -9.89767 -0.89271
|
|
297 5S 0.17014 -1.35359 0.61430 2.74245 1.55856
|
|
298 6PX 0.00093 0.00001 -0.00344 0.00094 -0.00494
|
|
299 6PY 0.00460 -0.00635 -0.00345 -0.00107 -0.00268
|
|
300 6PZ 0.00735 -0.00366 0.00253 -0.00573 -0.00080
|
|
301 7PX -0.03303 0.00006 0.03262 0.01050 0.03905
|
|
302 7PY -0.05047 0.06345 0.02335 0.02067 0.02895
|
|
303 7PZ -0.07311 0.04921 -0.01634 0.06719 0.01465
|
|
304 8PX 0.84278 -0.39185 -0.12734 0.34496 -0.14022
|
|
305 8PY 0.85559 -0.83555 0.07299 0.26111 -0.12528
|
|
306 8PZ 1.48062 -1.16033 0.42494 0.26093 0.09775
|
|
307 9PX 4.48124 0.43464 -2.10535 1.56314 -0.34346
|
|
308 9PY 3.46036 -4.59827 -0.95215 1.00335 -1.78072
|
|
309 9PZ 4.42188 -4.15739 2.52324 0.85025 0.63128
|
|
310 10D 0 0.00562 -0.00558 -0.00439 -0.00046 -0.00231
|
|
311 10D+1 0.00680 -0.00481 0.00161 -0.00558 -0.00033
|
|
312 10D-1 0.00774 -0.00517 0.00558 -0.00318 0.00193
|
|
313 10D+2 -0.00035 -0.00355 -0.00261 0.00092 -0.00275
|
|
314 10D-2 0.00320 -0.00173 -0.00163 -0.00151 -0.00143
|
|
315 11D 0 -0.07119 0.05511 0.00477 -0.02281 0.00096
|
|
316 11D+1 -0.08671 0.05490 -0.02389 -0.02051 -0.00788
|
|
317 11D-1 -0.08695 0.06664 -0.05401 -0.03186 -0.01867
|
|
318 11D+2 -0.00110 0.02225 0.01756 -0.00578 0.01656
|
|
319 11D-2 -0.04730 0.02466 0.00512 -0.02507 0.00626
|
|
320 12D 0 -0.15773 0.47205 -0.71609 0.40904 -0.31690
|
|
321 12D+1 -0.81595 0.10000 0.40301 -0.01467 0.14117
|
|
322 12D-1 -0.67933 0.98744 0.11265 0.04370 0.37300
|
|
323 12D+2 -0.06218 -0.63354 0.17068 -0.03289 -0.16924
|
|
324 12D-2 -0.49881 0.38573 0.17576 -0.06595 0.20534
|
|
325 13F 0 0.00390 0.00032 -0.00533 0.00244 -0.00391
|
|
326 13F+1 0.00363 -0.00141 0.00315 0.00628 0.00172
|
|
327 13F-1 0.00496 -0.00098 0.00306 0.00630 0.00164
|
|
328 13F+2 -0.00011 -0.00585 0.00224 0.00002 -0.00295
|
|
329 13F-2 0.00199 0.00165 0.00326 0.00636 0.00144
|
|
330 13F+3 -0.00142 -0.00323 0.00042 -0.00132 -0.00058
|
|
331 13F-3 0.00170 -0.00283 -0.00062 0.00276 -0.00119
|
|
332 14F 0 -0.05877 -0.01944 0.11932 -0.06134 0.07024
|
|
333 14F+1 0.07237 -0.01901 -0.01842 -0.06362 -0.00917
|
|
334 14F-1 0.05413 -0.10913 0.02184 -0.05148 -0.02640
|
|
335 14F+2 0.01407 0.12396 -0.05335 0.00107 0.03127
|
|
336 14F-2 0.10514 -0.08066 -0.04032 -0.01851 -0.04264
|
|
337 14F+3 -0.01672 0.06902 -0.00778 0.00618 0.02173
|
|
338 14F-3 0.02486 0.02379 -0.01806 -0.01085 -0.00037
|
|
339 15G 0 0.00595 -0.00083 -0.00686 0.00108 -0.00420
|
|
340 15G+1 -0.00133 0.00132 -0.00254 0.00473 -0.00071
|
|
341 15G-1 -0.00108 0.00389 -0.00326 0.00345 -0.00012
|
|
342 15G+2 -0.00093 -0.00709 0.00254 0.00054 -0.00125
|
|
343 15G-2 -0.00770 0.00456 0.00078 0.00201 0.00215
|
|
344 15G+3 0.00211 -0.00659 0.00098 -0.00049 -0.00254
|
|
345 15G-3 -0.00353 -0.00170 0.00203 0.00082 0.00036
|
|
346 15G+4 0.00126 -0.00127 -0.00016 -0.00169 -0.00077
|
|
347 15G-4 -0.00059 -0.00249 0.00042 0.00048 -0.00076
|
|
348 6 H 1S 0.00872 0.00118 0.01059 -0.02494 0.00358
|
|
349 2S 0.37234 0.25372 0.03634 0.05868 -0.03847
|
|
350 3S -4.08289 -2.99511 -1.05600 1.52185 -0.28825
|
|
351 4S -17.07164 -11.26486 -4.03355 9.89767 -0.89271
|
|
352 5S 0.17014 1.35359 0.61430 -2.74245 1.55856
|
|
353 6PX 0.00093 -0.00001 -0.00344 -0.00094 -0.00494
|
|
354 6PY 0.00460 0.00635 -0.00345 0.00107 -0.00268
|
|
355 6PZ -0.00735 -0.00366 -0.00253 -0.00573 0.00080
|
|
356 7PX -0.03303 -0.00006 0.03262 -0.01050 0.03905
|
|
357 7PY -0.05047 -0.06345 0.02335 -0.02067 0.02895
|
|
358 7PZ 0.07311 0.04921 0.01634 0.06719 -0.01465
|
|
359 8PX 0.84278 0.39185 -0.12734 -0.34496 -0.14022
|
|
360 8PY 0.85559 0.83555 0.07299 -0.26111 -0.12528
|
|
361 8PZ -1.48062 -1.16033 -0.42494 0.26093 -0.09775
|
|
362 9PX 4.48124 -0.43464 -2.10535 -1.56314 -0.34346
|
|
363 9PY 3.46036 4.59827 -0.95215 -1.00335 -1.78072
|
|
364 9PZ -4.42188 -4.15739 -2.52324 0.85025 -0.63128
|
|
365 10D 0 0.00562 0.00558 -0.00439 0.00046 -0.00231
|
|
366 10D+1 -0.00680 -0.00481 -0.00161 -0.00558 0.00033
|
|
367 10D-1 -0.00774 -0.00517 -0.00558 -0.00318 -0.00193
|
|
368 10D+2 -0.00035 0.00355 -0.00261 -0.00092 -0.00275
|
|
369 10D-2 0.00320 0.00173 -0.00163 0.00151 -0.00143
|
|
370 11D 0 -0.07119 -0.05511 0.00477 0.02281 0.00096
|
|
371 11D+1 0.08671 0.05490 0.02389 -0.02051 0.00788
|
|
372 11D-1 0.08695 0.06664 0.05401 -0.03186 0.01867
|
|
373 11D+2 -0.00110 -0.02225 0.01756 0.00578 0.01656
|
|
374 11D-2 -0.04730 -0.02466 0.00512 0.02507 0.00626
|
|
375 12D 0 -0.15773 -0.47205 -0.71609 -0.40904 -0.31690
|
|
376 12D+1 0.81595 0.10000 -0.40301 -0.01467 -0.14117
|
|
377 12D-1 0.67933 0.98744 -0.11265 0.04370 -0.37300
|
|
378 12D+2 -0.06218 0.63354 0.17068 0.03289 -0.16924
|
|
379 12D-2 -0.49881 -0.38573 0.17576 0.06595 0.20534
|
|
380 13F 0 -0.00390 0.00032 0.00533 0.00244 0.00391
|
|
381 13F+1 0.00363 0.00141 0.00315 -0.00628 0.00172
|
|
382 13F-1 0.00496 0.00098 0.00306 -0.00630 0.00164
|
|
383 13F+2 0.00011 -0.00585 -0.00224 0.00002 0.00295
|
|
384 13F-2 -0.00199 0.00165 -0.00326 0.00636 -0.00144
|
|
385 13F+3 -0.00142 0.00323 0.00042 0.00132 -0.00058
|
|
386 13F-3 0.00170 0.00283 -0.00062 -0.00276 -0.00119
|
|
387 14F 0 0.05877 -0.01944 -0.11932 -0.06134 -0.07024
|
|
388 14F+1 0.07237 0.01901 -0.01842 0.06362 -0.00917
|
|
389 14F-1 0.05413 0.10913 0.02184 0.05148 -0.02640
|
|
390 14F+2 -0.01407 0.12396 0.05335 0.00107 -0.03127
|
|
391 14F-2 -0.10514 -0.08066 0.04032 -0.01851 0.04264
|
|
392 14F+3 -0.01672 -0.06902 -0.00778 -0.00618 0.02173
|
|
393 14F-3 0.02486 -0.02379 -0.01806 0.01085 -0.00037
|
|
394 15G 0 0.00595 0.00083 -0.00686 -0.00108 -0.00420
|
|
395 15G+1 0.00133 0.00132 0.00254 0.00473 0.00071
|
|
396 15G-1 0.00108 0.00389 0.00326 0.00345 0.00012
|
|
397 15G+2 -0.00093 0.00709 0.00254 -0.00054 -0.00125
|
|
398 15G-2 -0.00770 -0.00456 0.00078 -0.00201 0.00215
|
|
399 15G+3 -0.00211 -0.00659 -0.00098 -0.00049 0.00254
|
|
400 15G-3 0.00353 -0.00170 -0.00203 0.00082 -0.00036
|
|
401 15G+4 0.00126 0.00127 -0.00016 0.00169 -0.00077
|
|
402 15G-4 -0.00059 0.00249 0.00042 -0.00048 -0.00076
|
|
46 47 48 49 50
|
|
V V V V V
|
|
Eigenvalues -- 1.08353 1.11713 1.17504 1.20497 1.21528
|
|
1 1 C 1S -0.04208 -0.01298 -0.05551 0.00000 0.01017
|
|
2 2S 0.05413 0.01401 0.06645 0.00000 -0.02497
|
|
3 3S -0.12541 -0.07438 -0.17913 0.00000 -0.02648
|
|
4 4S 0.11953 0.67845 0.30256 0.00000 -0.34433
|
|
5 5S 4.78275 -1.14549 5.47288 0.00000 2.74534
|
|
6 6S 4.56521 2.81707 1.35625 0.00000 4.67626
|
|
7 7PX 0.00427 -0.08074 0.00389 0.00000 0.01711
|
|
8 7PY 0.04961 0.02608 0.03650 0.00000 -0.00506
|
|
9 7PZ 0.00000 0.00000 0.00000 0.01161 0.00000
|
|
10 8PX -0.12559 -0.49285 0.03336 0.00000 -0.67469
|
|
11 8PY 0.28864 0.08802 -0.33375 0.00000 -0.11170
|
|
12 8PZ 0.00000 0.00000 0.00000 -0.71773 0.00000
|
|
13 9PX 2.80570 0.39162 -0.41122 0.00000 7.30801
|
|
14 9PY -0.02706 0.20354 2.63841 0.00000 0.77895
|
|
15 9PZ 0.00000 0.00000 0.00000 7.29365 0.00000
|
|
16 10PX 5.54044 12.24594 -2.42206 0.00000 20.93270
|
|
17 10PY -7.48202 -2.44882 11.76500 0.00000 0.51833
|
|
18 10PZ 0.00000 0.00000 0.00000 22.32691 0.00000
|
|
19 11PX 0.32915 -0.32941 -0.66948 0.00000 1.34128
|
|
20 11PY -0.30493 -0.10387 1.63871 0.00000 -0.52246
|
|
21 11PZ 0.00000 0.00000 0.00000 0.65458 0.00000
|
|
22 12D 0 -0.01751 0.00854 -0.00334 0.00000 -0.01652
|
|
23 12D+1 0.00000 0.00000 0.00000 -0.02171 0.00000
|
|
24 12D-1 0.00000 0.00000 0.00000 -0.01660 0.00000
|
|
25 12D+2 -0.00442 -0.01422 -0.00516 0.00000 0.01376
|
|
26 12D-2 -0.00427 0.00243 -0.00113 0.00000 -0.01103
|
|
27 13D 0 0.10316 -0.08529 -0.03861 0.00000 -0.03030
|
|
28 13D+1 0.00000 0.00000 0.00000 -0.01124 0.00000
|
|
29 13D-1 0.00000 0.00000 0.00000 -0.08194 0.00000
|
|
30 13D+2 0.04637 0.12126 -0.04186 0.00000 0.02057
|
|
31 13D-2 -0.01268 -0.04559 -0.01074 0.00000 -0.09373
|
|
32 14D 0 0.22960 0.77811 0.69186 0.00000 3.25781
|
|
33 14D+1 0.00000 0.00000 0.00000 2.92113 0.00000
|
|
34 14D-1 0.00000 0.00000 0.00000 3.44525 0.00000
|
|
35 14D+2 -0.61732 -0.76697 0.72025 0.00000 -2.19560
|
|
36 14D-2 1.40907 -0.00487 0.00896 0.00000 2.99549
|
|
37 15D 0 -1.64845 1.29970 2.78749 0.00000 4.13692
|
|
38 15D+1 0.00000 0.00000 0.00000 4.53205 0.00000
|
|
39 15D-1 0.00000 0.00000 0.00000 7.23749 0.00000
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|
|
297 5S -0.42887 0.45426 -0.71220 0.86934 0.33444
|
|
298 6PX -0.00401 -0.00533 -0.00523 -0.00682 0.00648
|
|
299 6PY -0.00108 0.00012 -0.00235 -0.00741 -0.00272
|
|
300 6PZ -0.00317 -0.00304 -0.01589 -0.00631 -0.00326
|
|
301 7PX 0.00852 0.03436 0.01265 0.00995 -0.05511
|
|
302 7PY -0.00825 -0.00406 0.01406 0.01797 0.00099
|
|
303 7PZ -0.02063 0.02814 0.06584 -0.00800 -0.00699
|
|
304 8PX 0.05602 -0.11418 0.29087 1.19628 1.06599
|
|
305 8PY 0.22565 0.19219 0.09622 1.02761 0.64943
|
|
306 8PZ 0.34066 0.16775 0.23167 2.24658 1.47852
|
|
307 9PX -0.29545 -0.24229 1.84553 4.30825 1.41560
|
|
308 9PY 1.00770 1.98531 -0.25622 2.70226 1.79318
|
|
309 9PZ 2.89363 0.69258 1.16676 6.53371 4.55350
|
|
310 10D 0 0.00384 -0.00056 0.00698 0.01028 0.00871
|
|
311 10D+1 0.00553 0.00019 0.00717 0.02094 0.01317
|
|
312 10D-1 0.00346 -0.00227 0.00213 0.01392 0.00687
|
|
313 10D+2 0.00013 0.00511 0.00150 -0.00391 -0.00100
|
|
314 10D-2 0.00124 0.00035 0.00136 0.00670 0.00553
|
|
315 11D 0 -0.01480 -0.02243 -0.05770 -0.13609 -0.10286
|
|
316 11D+1 -0.03050 -0.00764 -0.06502 -0.21897 -0.13976
|
|
317 11D-1 -0.02589 -0.01308 -0.02970 -0.16108 -0.09056
|
|
318 11D+2 0.00147 -0.01748 -0.01038 0.01283 -0.00338
|
|
319 11D-2 -0.00894 -0.01055 -0.01861 -0.08749 -0.05752
|
|
320 12D 0 -0.45703 0.04428 0.04035 -0.49794 -0.31923
|
|
321 12D+1 -0.09802 0.20353 -0.24657 -0.60704 -0.41706
|
|
322 12D-1 -0.35246 -0.33972 0.09777 -0.47097 -0.41960
|
|
323 12D+2 0.13477 0.35900 -0.23333 -0.25935 -0.14597
|
|
324 12D-2 -0.13367 -0.01404 0.01924 -0.34981 -0.09719
|
|
325 13F 0 -0.00353 0.00269 0.00083 0.00313 0.00168
|
|
326 13F+1 -0.00088 0.00164 0.00084 0.00971 0.00679
|
|
327 13F-1 -0.00259 0.00217 0.00132 0.00528 -0.00050
|
|
328 13F+2 0.00081 0.00207 -0.00264 0.00149 0.00141
|
|
329 13F-2 -0.00116 0.00159 0.00339 0.00785 0.00816
|
|
330 13F+3 0.00173 0.00001 -0.00145 -0.00213 0.00195
|
|
331 13F-3 -0.00003 0.00114 -0.00029 -0.00432 0.00092
|
|
332 14F 0 0.05450 -0.01792 -0.00058 0.00296 0.00894
|
|
333 14F+1 0.04508 -0.02908 0.04671 0.07855 0.04931
|
|
334 14F-1 0.06602 0.01936 0.00234 0.05610 0.06830
|
|
335 14F+2 -0.02203 -0.06485 0.05546 0.03085 0.01437
|
|
336 14F-2 0.03822 0.00445 -0.00225 0.05692 0.01041
|
|
337 14F+3 -0.02443 -0.02104 0.02152 0.00256 -0.00991
|
|
338 14F-3 0.00416 -0.02169 0.01617 0.05375 0.00932
|
|
339 15G 0 -0.00072 0.00055 0.00096 0.00162 0.00086
|
|
340 15G+1 -0.00420 0.00125 -0.00241 -0.00394 -0.00218
|
|
341 15G-1 -0.00364 0.00055 -0.00098 -0.00216 -0.00225
|
|
342 15G+2 0.00058 0.00300 -0.00275 -0.00235 -0.00122
|
|
343 15G-2 -0.00328 -0.00070 -0.00102 -0.00378 -0.00178
|
|
344 15G+3 0.00195 0.00319 -0.00168 0.00006 0.00032
|
|
345 15G-3 -0.00091 0.00218 -0.00185 -0.00294 -0.00087
|
|
346 15G+4 0.00081 0.00032 0.00031 0.00042 0.00063
|
|
347 15G-4 0.00005 0.00086 -0.00080 -0.00103 -0.00025
|
|
348 6 H 1S -0.03437 -0.00194 -0.03717 0.02981 -0.00109
|
|
349 2S 0.18869 -0.02248 0.12803 -0.46098 0.26934
|
|
350 3S -1.48874 -0.45388 -2.83251 8.46231 -4.99267
|
|
351 4S -3.29188 -4.22047 -3.26531 22.30153 -14.32608
|
|
352 5S -0.42887 0.45426 -0.71220 -0.86934 0.33444
|
|
353 6PX -0.00401 -0.00533 -0.00523 0.00682 0.00648
|
|
354 6PY -0.00108 0.00012 -0.00235 0.00741 -0.00272
|
|
355 6PZ 0.00317 0.00304 0.01589 -0.00631 0.00326
|
|
356 7PX 0.00852 0.03436 0.01265 -0.00995 -0.05511
|
|
357 7PY -0.00825 -0.00406 0.01406 -0.01797 0.00099
|
|
358 7PZ 0.02063 -0.02814 -0.06584 -0.00800 0.00699
|
|
359 8PX 0.05602 -0.11418 0.29087 -1.19628 1.06599
|
|
360 8PY 0.22565 0.19219 0.09622 -1.02761 0.64943
|
|
361 8PZ -0.34066 -0.16775 -0.23167 2.24658 -1.47852
|
|
362 9PX -0.29545 -0.24229 1.84553 -4.30825 1.41560
|
|
363 9PY 1.00770 1.98531 -0.25622 -2.70226 1.79318
|
|
364 9PZ -2.89363 -0.69258 -1.16676 6.53371 -4.55350
|
|
365 10D 0 0.00384 -0.00056 0.00698 -0.01028 0.00871
|
|
366 10D+1 -0.00553 -0.00019 -0.00717 0.02094 -0.01317
|
|
367 10D-1 -0.00346 0.00227 -0.00213 0.01392 -0.00687
|
|
368 10D+2 0.00013 0.00511 0.00150 0.00391 -0.00100
|
|
369 10D-2 0.00124 0.00035 0.00136 -0.00670 0.00553
|
|
370 11D 0 -0.01480 -0.02243 -0.05770 0.13609 -0.10286
|
|
371 11D+1 0.03050 0.00764 0.06502 -0.21897 0.13976
|
|
372 11D-1 0.02589 0.01308 0.02970 -0.16108 0.09056
|
|
373 11D+2 0.00147 -0.01748 -0.01038 -0.01283 -0.00338
|
|
374 11D-2 -0.00894 -0.01055 -0.01861 0.08749 -0.05752
|
|
375 12D 0 -0.45703 0.04428 0.04035 0.49794 -0.31923
|
|
376 12D+1 0.09802 -0.20353 0.24657 -0.60704 0.41706
|
|
377 12D-1 0.35246 0.33972 -0.09777 -0.47097 0.41960
|
|
378 12D+2 0.13477 0.35900 -0.23333 0.25935 -0.14597
|
|
379 12D-2 -0.13367 -0.01404 0.01924 0.34981 -0.09719
|
|
380 13F 0 0.00353 -0.00269 -0.00083 0.00313 -0.00168
|
|
381 13F+1 -0.00088 0.00164 0.00084 -0.00971 0.00679
|
|
382 13F-1 -0.00259 0.00217 0.00132 -0.00528 -0.00050
|
|
383 13F+2 -0.00081 -0.00207 0.00264 0.00149 -0.00141
|
|
384 13F-2 0.00116 -0.00159 -0.00339 0.00785 -0.00816
|
|
385 13F+3 0.00173 0.00001 -0.00145 0.00213 0.00195
|
|
386 13F-3 -0.00003 0.00114 -0.00029 0.00432 0.00092
|
|
387 14F 0 -0.05450 0.01792 0.00058 0.00296 -0.00894
|
|
388 14F+1 0.04508 -0.02908 0.04671 -0.07855 0.04931
|
|
389 14F-1 0.06602 0.01936 0.00234 -0.05610 0.06830
|
|
390 14F+2 0.02203 0.06485 -0.05546 0.03085 -0.01437
|
|
391 14F-2 -0.03822 -0.00445 0.00225 0.05692 -0.01041
|
|
392 14F+3 -0.02443 -0.02104 0.02152 -0.00256 -0.00991
|
|
393 14F-3 0.00416 -0.02169 0.01617 -0.05375 0.00932
|
|
394 15G 0 -0.00072 0.00055 0.00096 -0.00162 0.00086
|
|
395 15G+1 0.00420 -0.00125 0.00241 -0.00394 0.00218
|
|
396 15G-1 0.00364 -0.00055 0.00098 -0.00216 0.00225
|
|
397 15G+2 0.00058 0.00300 -0.00275 0.00235 -0.00122
|
|
398 15G-2 -0.00328 -0.00070 -0.00102 0.00378 -0.00178
|
|
399 15G+3 -0.00195 -0.00319 0.00168 0.00006 -0.00032
|
|
400 15G-3 0.00091 -0.00218 0.00185 -0.00294 0.00087
|
|
401 15G+4 0.00081 0.00032 0.00031 -0.00042 0.00063
|
|
402 15G-4 0.00005 0.00086 -0.00080 0.00103 -0.00025
|
|
51 52 53 54 55
|
|
V V V V V
|
|
Eigenvalues -- 1.26593 1.34000 1.40991 1.43953 1.45064
|
|
1 1 C 1S 0.00000 -0.00145 -0.03733 0.00000 0.00000
|
|
2 2S 0.00000 0.01357 0.07991 0.00000 0.00000
|
|
3 3S 0.00000 0.08978 0.14561 0.00000 0.00000
|
|
4 4S 0.00000 -0.86084 -2.56828 0.00000 0.00000
|
|
5 5S 0.00000 1.43514 11.36196 0.00000 0.00000
|
|
6 6S 0.00000 -2.94945 4.17252 0.00000 0.00000
|
|
7 7PX 0.00000 0.04665 -0.01201 0.00000 0.00000
|
|
8 7PY 0.00000 -0.01065 -0.04962 0.00000 0.00000
|
|
9 7PZ 0.01018 0.00000 0.00000 0.04884 0.00940
|
|
10 8PX 0.00000 -0.38933 0.01275 0.00000 0.00000
|
|
11 8PY 0.00000 -0.00830 -0.04791 0.00000 0.00000
|
|
12 8PZ -0.28141 0.00000 0.00000 -0.24707 -0.14909
|
|
13 9PX 0.00000 4.20408 -0.21923 0.00000 0.00000
|
|
14 9PY 0.00000 -0.41276 -2.14718 0.00000 0.00000
|
|
15 9PZ 3.10365 0.00000 0.00000 2.15859 1.11574
|
|
16 10PX 0.00000 17.63698 -2.07247 0.00000 0.00000
|
|
17 10PY 0.00000 2.68766 4.12042 0.00000 0.00000
|
|
18 10PZ 12.69160 0.00000 0.00000 14.50962 1.05080
|
|
19 11PX 0.00000 0.86527 0.10229 0.00000 0.00000
|
|
20 11PY 0.00000 0.57863 -0.10630 0.00000 0.00000
|
|
21 11PZ 0.13140 0.00000 0.00000 1.56495 0.13063
|
|
22 12D 0 0.00000 -0.01683 0.01314 0.00000 0.00000
|
|
23 12D+1 -0.01166 0.00000 0.00000 -0.01379 0.01269
|
|
24 12D-1 -0.00857 0.00000 0.00000 -0.00871 -0.01724
|
|
25 12D+2 0.00000 0.01527 0.00895 0.00000 0.00000
|
|
26 12D-2 0.00000 -0.01283 0.00677 0.00000 0.00000
|
|
27 13D 0 0.00000 0.02023 -0.05077 0.00000 0.00000
|
|
28 13D+1 0.02882 0.00000 0.00000 -0.01140 -0.07874
|
|
29 13D-1 0.00320 0.00000 0.00000 0.04113 0.03562
|
|
30 13D+2 0.00000 -0.03912 -0.02683 0.00000 0.00000
|
|
31 13D-2 0.00000 0.04380 -0.04306 0.00000 0.00000
|
|
32 14D 0 0.00000 0.66535 -0.39378 0.00000 0.00000
|
|
33 14D+1 0.52284 0.00000 0.00000 0.52263 1.89878
|
|
34 14D-1 0.91767 0.00000 0.00000 0.50645 -1.06850
|
|
35 14D+2 0.00000 -0.83155 -0.92193 0.00000 0.00000
|
|
36 14D-2 0.00000 0.74649 -0.08903 0.00000 0.00000
|
|
37 15D 0 0.00000 3.10118 -0.62706 0.00000 0.00000
|
|
38 15D+1 0.20406 0.00000 0.00000 4.44515 0.64622
|
|
39 15D-1 3.29369 0.00000 0.00000 0.43892 1.25307
|
|
40 15D+2 0.00000 -2.07608 0.91346 0.00000 0.00000
|
|
41 15D-2 0.00000 2.62968 0.08784 0.00000 0.00000
|
|
42 16F 0 -0.00850 0.00000 0.00000 0.01410 -0.01578
|
|
43 16F+1 0.00000 -0.00871 -0.01373 0.00000 0.00000
|
|
44 16F-1 0.00000 -0.01321 -0.01174 0.00000 0.00000
|
|
45 16F+2 -0.00602 0.00000 0.00000 -0.00565 -0.02581
|
|
46 16F-2 -0.00817 0.00000 0.00000 -0.01352 0.00514
|
|
47 16F+3 0.00000 -0.00827 0.00436 0.00000 0.00000
|
|
48 16F-3 0.00000 0.00346 -0.01266 0.00000 0.00000
|
|
49 17F 0 0.10490 0.00000 0.00000 -0.12512 0.18052
|
|
50 17F+1 0.00000 0.03564 0.01385 0.00000 0.00000
|
|
51 17F-1 0.00000 0.12364 0.09679 0.00000 0.00000
|
|
52 17F+2 0.06738 0.00000 0.00000 0.11196 0.28714
|
|
53 17F-2 0.07709 0.00000 0.00000 0.13100 -0.01445
|
|
54 17F+3 0.00000 0.16380 -0.02053 0.00000 0.00000
|
|
55 17F-3 0.00000 -0.02173 0.14206 0.00000 0.00000
|
|
56 18F 0 0.54091 0.00000 0.00000 -1.10088 1.19664
|
|
57 18F+1 0.00000 0.30749 0.92512 0.00000 0.00000
|
|
58 18F-1 0.00000 0.08162 0.37643 0.00000 0.00000
|
|
59 18F+2 0.26159 0.00000 0.00000 0.10746 1.87692
|
|
60 18F-2 -0.16499 0.00000 0.00000 0.44300 -0.08363
|
|
61 18F+3 0.00000 0.43701 -0.00719 0.00000 0.00000
|
|
62 18F-3 0.00000 0.22418 1.09582 0.00000 0.00000
|
|
63 19G 0 0.00000 -0.00863 0.00664 0.00000 0.00000
|
|
64 19G+1 0.00541 0.00000 0.00000 0.01089 -0.00877
|
|
65 19G-1 0.00545 0.00000 0.00000 0.00422 0.01415
|
|
66 19G+2 0.00000 0.00729 0.00565 0.00000 0.00000
|
|
67 19G-2 0.00000 0.00323 -0.01561 0.00000 0.00000
|
|
68 19G+3 -0.01337 0.00000 0.00000 0.00908 0.00756
|
|
69 19G-3 0.00608 0.00000 0.00000 -0.00683 0.01285
|
|
70 19G+4 0.00000 0.00485 0.00472 0.00000 0.00000
|
|
71 19G-4 0.00000 0.00968 0.01304 0.00000 0.00000
|
|
72 20G 0 0.00000 -0.15081 -0.03614 0.00000 0.00000
|
|
73 20G+1 0.21639 0.00000 0.00000 0.12713 0.25901
|
|
74 20G-1 0.12299 0.00000 0.00000 0.00667 -0.10193
|
|
75 20G+2 0.00000 0.22915 -0.08609 0.00000 0.00000
|
|
76 20G-2 0.00000 0.13096 0.21704 0.00000 0.00000
|
|
77 20G+3 0.05802 0.00000 0.00000 -0.20209 0.25468
|
|
78 20G-3 0.03441 0.00000 0.00000 0.27258 0.00192
|
|
79 20G+4 0.00000 -0.22439 -0.06265 0.00000 0.00000
|
|
80 20G-4 0.00000 0.09086 -0.15795 0.00000 0.00000
|
|
81 21H 0 -0.00113 0.00000 0.00000 0.00876 -0.01428
|
|
82 21H+1 0.00000 0.00298 -0.00519 0.00000 0.00000
|
|
83 21H-1 0.00000 -0.01358 0.00847 0.00000 0.00000
|
|
84 21H+2 0.00041 0.00000 0.00000 -0.00133 0.05724
|
|
85 21H-2 0.02517 0.00000 0.00000 0.02719 -0.00048
|
|
86 21H+3 0.00000 -0.00675 -0.02295 0.00000 0.00000
|
|
87 21H-3 0.00000 0.03440 -0.00097 0.00000 0.00000
|
|
88 21H+4 0.00723 0.00000 0.00000 -0.00174 0.00116
|
|
89 21H-4 -0.00024 0.00000 0.00000 -0.01129 0.03280
|
|
90 21H+5 0.00000 0.01202 0.01057 0.00000 0.00000
|
|
91 21H-5 0.00000 -0.00337 0.01120 0.00000 0.00000
|
|
92 2 O 1S 0.00000 0.00229 -0.00144 0.00000 0.00000
|
|
93 2S 0.00000 -0.00278 -0.00623 0.00000 0.00000
|
|
94 3S 0.00000 0.00239 -0.03308 0.00000 0.00000
|
|
95 4S 0.00000 0.05834 0.17169 0.00000 0.00000
|
|
96 5S 0.00000 0.08095 -0.68894 0.00000 0.00000
|
|
97 6S 0.00000 -2.27914 -0.53234 0.00000 0.00000
|
|
98 7PX 0.00000 -0.05426 0.00807 0.00000 0.00000
|
|
99 7PY 0.00000 0.00419 -0.03949 0.00000 0.00000
|
|
100 7PZ -0.01490 0.00000 0.00000 -0.06482 -0.04284
|
|
101 8PX 0.00000 -0.03303 0.03894 0.00000 0.00000
|
|
102 8PY 0.00000 0.02356 -0.11222 0.00000 0.00000
|
|
103 8PZ -0.08517 0.00000 0.00000 -0.09152 -0.01219
|
|
104 9PX 0.00000 -0.35035 -0.35434 0.00000 0.00000
|
|
105 9PY 0.00000 0.04923 0.34278 0.00000 0.00000
|
|
106 9PZ 0.11800 0.00000 0.00000 -0.14690 -0.37234
|
|
107 10PX 0.00000 -1.18575 2.00943 0.00000 0.00000
|
|
108 10PY 0.00000 -1.52535 -2.04250 0.00000 0.00000
|
|
109 10PZ 2.34857 0.00000 0.00000 -0.13001 2.29220
|
|
110 11PX 0.00000 -2.00555 1.14793 0.00000 0.00000
|
|
111 11PY 0.00000 -0.26662 -1.38985 0.00000 0.00000
|
|
112 11PZ 0.57956 0.00000 0.00000 -1.77261 -0.16573
|
|
113 12D 0 0.00000 -0.00586 -0.00268 0.00000 0.00000
|
|
114 12D+1 0.00100 0.00000 0.00000 0.00932 0.00637
|
|
115 12D-1 -0.00220 0.00000 0.00000 0.00518 0.00653
|
|
116 12D+2 0.00000 0.00013 0.00315 0.00000 0.00000
|
|
117 12D-2 0.00000 -0.00013 0.00285 0.00000 0.00000
|
|
118 13D 0 0.00000 0.04532 0.02229 0.00000 0.00000
|
|
119 13D+1 0.01688 0.00000 0.00000 -0.06522 -0.04715
|
|
120 13D-1 0.01388 0.00000 0.00000 -0.05103 -0.03788
|
|
121 13D+2 0.00000 -0.00154 -0.00287 0.00000 0.00000
|
|
122 13D-2 0.00000 -0.01583 -0.01780 0.00000 0.00000
|
|
123 14D 0 0.00000 -0.06850 -0.02177 0.00000 0.00000
|
|
124 14D+1 0.26621 0.00000 0.00000 0.28876 0.17225
|
|
125 14D-1 -0.12949 0.00000 0.00000 0.09748 0.08060
|
|
126 14D+2 0.00000 -0.18525 0.00414 0.00000 0.00000
|
|
127 14D-2 0.00000 -0.04910 0.24633 0.00000 0.00000
|
|
128 15D 0 0.00000 1.02651 0.77793 0.00000 0.00000
|
|
129 15D+1 2.50124 0.00000 0.00000 -0.15173 -0.22811
|
|
130 15D-1 -0.29195 0.00000 0.00000 -2.26431 0.69932
|
|
131 15D+2 0.00000 -0.68340 3.45682 0.00000 0.00000
|
|
132 15D-2 0.00000 -1.55533 0.84168 0.00000 0.00000
|
|
133 16F 0 0.00342 0.00000 0.00000 0.00644 -0.00236
|
|
134 16F+1 0.00000 -0.00046 -0.00347 0.00000 0.00000
|
|
135 16F-1 0.00000 0.00090 0.00554 0.00000 0.00000
|
|
136 16F+2 -0.00523 0.00000 0.00000 0.00074 -0.00620
|
|
137 16F-2 0.00386 0.00000 0.00000 -0.00071 0.00297
|
|
138 16F+3 0.00000 0.00450 -0.00198 0.00000 0.00000
|
|
139 16F-3 0.00000 0.00133 0.00194 0.00000 0.00000
|
|
140 17F 0 -0.02392 0.00000 0.00000 -0.03845 0.01032
|
|
141 17F+1 0.00000 0.00864 0.02687 0.00000 0.00000
|
|
142 17F-1 0.00000 -0.00872 -0.04191 0.00000 0.00000
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393 14F-3 -0.02802 -0.03038 -0.00459 0.02768 0.01634
|
|
394 15G 0 -0.00403 -0.00250 -0.00135 0.00311 -0.00383
|
|
395 15G+1 0.00098 0.00204 -0.00049 -0.00194 0.00359
|
|
396 15G-1 -0.00082 0.00239 -0.00260 -0.00019 -0.00001
|
|
397 15G+2 0.00048 0.00328 -0.00141 -0.00033 -0.00973
|
|
398 15G-2 0.00363 -0.00171 0.00341 0.00142 0.00206
|
|
399 15G+3 0.00051 -0.00097 0.00185 0.00362 0.00848
|
|
400 15G-3 -0.00170 -0.00265 -0.00037 -0.00116 0.00555
|
|
401 15G+4 -0.00012 -0.00055 0.00064 -0.00089 -0.00122
|
|
402 15G-4 -0.00008 0.00023 0.00018 -0.00134 -0.00483
|
|
56 57 58 59 60
|
|
V V V V V
|
|
Eigenvalues -- 1.45822 1.49533 1.53148 1.56799 1.60965
|
|
1 1 C 1S 0.00000 -0.01309 0.00227 0.00000 0.01015
|
|
2 2S 0.00000 0.05376 -0.02750 0.00000 -0.05601
|
|
3 3S 0.00000 0.21648 -0.15586 0.00000 -0.17083
|
|
4 4S 0.00000 -2.18519 1.25021 0.00000 -0.30337
|
|
5 5S 0.00000 3.31750 -0.46384 0.00000 9.78574
|
|
6 6S 0.00000 -0.01837 0.04742 0.00000 -0.82865
|
|
7 7PX 0.00000 -0.00356 0.00062 0.00000 0.02393
|
|
8 7PY 0.00000 0.02912 -0.01733 0.00000 -0.03900
|
|
9 7PZ 0.01985 0.00000 0.00000 -0.00883 0.00000
|
|
10 8PX 0.00000 -0.10851 -0.01129 0.00000 -0.26593
|
|
11 8PY 0.00000 0.01727 -0.05615 0.00000 0.03873
|
|
12 8PZ -0.20692 0.00000 0.00000 0.27819 0.00000
|
|
13 9PX 0.00000 -0.31448 -0.51348 0.00000 1.32712
|
|
14 9PY 0.00000 0.19080 -0.21059 0.00000 -1.88031
|
|
15 9PZ 1.35124 0.00000 0.00000 -1.71190 0.00000
|
|
16 10PX 0.00000 6.76248 2.47575 0.00000 -0.67953
|
|
17 10PY 0.00000 -4.03794 4.31200 0.00000 7.35416
|
|
18 10PZ 4.77638 0.00000 0.00000 -2.03355 0.00000
|
|
19 11PX 0.00000 0.87445 0.57066 0.00000 -0.04398
|
|
20 11PY 0.00000 -0.16270 0.29874 0.00000 0.86220
|
|
21 11PZ 0.70867 0.00000 0.00000 0.03735 0.00000
|
|
22 12D 0 0.00000 -0.00991 -0.00583 0.00000 0.00149
|
|
23 12D+1 -0.00476 0.00000 0.00000 0.00373 0.00000
|
|
24 12D-1 -0.00179 0.00000 0.00000 -0.00169 0.00000
|
|
25 12D+2 0.00000 0.00036 0.00720 0.00000 0.00678
|
|
26 12D-2 0.00000 0.00868 0.00432 0.00000 -0.00863
|
|
27 13D 0 0.00000 -0.01146 -0.00267 0.00000 -0.11271
|
|
28 13D+1 -0.05192 0.00000 0.00000 0.09870 0.00000
|
|
29 13D-1 -0.01966 0.00000 0.00000 0.07215 0.00000
|
|
30 13D+2 0.00000 0.01473 0.00127 0.00000 -0.02664
|
|
31 13D-2 0.00000 -0.03009 -0.01002 0.00000 0.02644
|
|
32 14D 0 0.00000 -0.29327 -0.32974 0.00000 1.28145
|
|
33 14D+1 1.26511 0.00000 0.00000 -2.23024 0.00000
|
|
34 14D-1 0.68816 0.00000 0.00000 -1.35735 0.00000
|
|
35 14D+2 0.00000 0.76960 -0.45374 0.00000 -0.86535
|
|
36 14D-2 0.00000 0.33699 1.25935 0.00000 -0.65108
|
|
37 15D 0 0.00000 2.82595 1.41915 0.00000 4.54521
|
|
38 15D+1 2.76003 0.00000 0.00000 -2.93108 0.00000
|
|
39 15D-1 0.29476 0.00000 0.00000 -1.18228 0.00000
|
|
40 15D+2 0.00000 -1.84421 -0.22373 0.00000 1.07391
|
|
41 15D-2 0.00000 -1.69263 -1.29037 0.00000 0.89310
|
|
42 16F 0 -0.03452 0.00000 0.00000 -0.03124 0.00000
|
|
43 16F+1 0.00000 -0.00472 0.01090 0.00000 -0.00044
|
|
44 16F-1 0.00000 -0.00153 -0.01344 0.00000 -0.00196
|
|
45 16F+2 0.03333 0.00000 0.00000 0.01276 0.00000
|
|
46 16F-2 -0.00556 0.00000 0.00000 0.01515 0.00000
|
|
47 16F+3 0.00000 0.01369 0.02585 0.00000 0.01400
|
|
48 16F-3 0.00000 0.00336 0.01379 0.00000 -0.00974
|
|
49 17F 0 0.42386 0.00000 0.00000 0.31911 0.00000
|
|
50 17F+1 0.00000 0.04347 -0.11461 0.00000 0.08386
|
|
51 17F-1 0.00000 -0.03820 0.19255 0.00000 0.14901
|
|
52 17F+2 -0.35265 0.00000 0.00000 -0.16809 0.00000
|
|
53 17F-2 0.11404 0.00000 0.00000 -0.29031 0.00000
|
|
54 17F+3 0.00000 -0.10650 -0.26958 0.00000 -0.00945
|
|
55 17F-3 0.00000 -0.05673 -0.13661 0.00000 0.09467
|
|
56 18F 0 2.34156 0.00000 0.00000 1.54405 0.00000
|
|
57 18F+1 0.00000 1.43560 -1.71919 0.00000 0.48436
|
|
58 18F-1 0.00000 0.98780 0.58429 0.00000 -0.01810
|
|
59 18F+2 -2.18996 0.00000 0.00000 -0.60892 0.00000
|
|
60 18F-2 0.92111 0.00000 0.00000 -2.63329 0.00000
|
|
61 18F+3 0.00000 -1.08672 -2.13756 0.00000 1.41732
|
|
62 18F-3 0.00000 1.08572 -1.84989 0.00000 -1.28560
|
|
63 19G 0 0.00000 -0.01249 -0.00169 0.00000 0.00716
|
|
64 19G+1 0.00719 0.00000 0.00000 -0.01031 0.00000
|
|
65 19G-1 -0.01387 0.00000 0.00000 0.00483 0.00000
|
|
66 19G+2 0.00000 -0.00258 0.01701 0.00000 0.01364
|
|
67 19G-2 0.00000 -0.02611 0.00306 0.00000 0.02200
|
|
68 19G+3 0.00060 0.00000 0.00000 0.00719 0.00000
|
|
69 19G-3 0.01201 0.00000 0.00000 0.00412 0.00000
|
|
70 19G+4 0.00000 -0.01449 0.00812 0.00000 0.01228
|
|
71 19G-4 0.00000 -0.00376 -0.02429 0.00000 0.00302
|
|
72 20G 0 0.00000 0.00781 -0.12136 0.00000 0.02472
|
|
73 20G+1 -0.04645 0.00000 0.00000 0.11837 0.00000
|
|
74 20G-1 0.50682 0.00000 0.00000 0.06186 0.00000
|
|
75 20G+2 0.00000 0.07073 -0.41918 0.00000 0.01112
|
|
76 20G-2 0.00000 0.21820 -0.01156 0.00000 -0.04201
|
|
77 20G+3 0.01590 0.00000 0.00000 0.04634 0.00000
|
|
78 20G-3 -0.38429 0.00000 0.00000 -0.31674 0.00000
|
|
79 20G+4 0.00000 0.19150 0.13469 0.00000 -0.21358
|
|
80 20G-4 0.00000 0.10966 0.29961 0.00000 0.03973
|
|
81 21H 0 -0.02023 0.00000 0.00000 0.02429 0.00000
|
|
82 21H+1 0.00000 -0.01119 -0.02255 0.00000 0.02745
|
|
83 21H-1 0.00000 -0.01733 -0.00767 0.00000 0.02584
|
|
84 21H+2 -0.00273 0.00000 0.00000 -0.01099 0.00000
|
|
85 21H-2 0.00740 0.00000 0.00000 0.00016 0.00000
|
|
86 21H+3 0.00000 0.00951 -0.01221 0.00000 -0.00341
|
|
87 21H-3 0.00000 0.01636 0.00323 0.00000 0.00218
|
|
88 21H+4 0.00866 0.00000 0.00000 0.01780 0.00000
|
|
89 21H-4 0.00788 0.00000 0.00000 -0.01323 0.00000
|
|
90 21H+5 0.00000 -0.01166 -0.01729 0.00000 0.01729
|
|
91 21H-5 0.00000 -0.00665 -0.00797 0.00000 0.00905
|
|
92 2 O 1S 0.00000 -0.01023 -0.00228 0.00000 -0.00511
|
|
93 2S 0.00000 0.03003 -0.00472 0.00000 0.01925
|
|
94 3S 0.00000 0.05670 -0.04501 0.00000 0.07083
|
|
95 4S 0.00000 -0.44035 0.24433 0.00000 -1.10001
|
|
96 5S 0.00000 1.06738 0.62152 0.00000 6.88561
|
|
97 6S 0.00000 3.78178 -1.15633 0.00000 9.67981
|
|
98 7PX 0.00000 0.02837 -0.00450 0.00000 0.01819
|
|
99 7PY 0.00000 0.00585 -0.02050 0.00000 -0.03134
|
|
100 7PZ -0.02261 0.00000 0.00000 0.00169 0.00000
|
|
101 8PX 0.00000 -0.07721 0.00352 0.00000 -0.14096
|
|
102 8PY 0.00000 0.07165 -0.09344 0.00000 -0.06696
|
|
103 8PZ -0.01607 0.00000 0.00000 -0.01141 0.00000
|
|
104 9PX 0.00000 0.58662 0.17101 0.00000 0.93539
|
|
105 9PY 0.00000 -0.29210 0.17257 0.00000 0.05446
|
|
106 9PZ -0.11508 0.00000 0.00000 0.05656 0.00000
|
|
107 10PX 0.00000 2.53501 -3.97182 0.00000 6.43865
|
|
108 10PY 0.00000 -3.81065 3.07102 0.00000 -2.80046
|
|
109 10PZ -0.25866 0.00000 0.00000 -0.21413 0.00000
|
|
110 11PX 0.00000 -0.17842 -1.99114 0.00000 0.54749
|
|
111 11PY 0.00000 -0.24584 0.74067 0.00000 -0.48817
|
|
112 11PZ -0.88100 0.00000 0.00000 -0.16343 0.00000
|
|
113 12D 0 0.00000 0.00364 -0.00197 0.00000 -0.00395
|
|
114 12D+1 0.00090 0.00000 0.00000 0.00539 0.00000
|
|
115 12D-1 0.00179 0.00000 0.00000 -0.00003 0.00000
|
|
116 12D+2 0.00000 -0.00076 -0.00146 0.00000 -0.00254
|
|
117 12D-2 0.00000 -0.00528 0.00396 0.00000 -0.00044
|
|
118 13D 0 0.00000 -0.02633 0.01516 0.00000 0.02077
|
|
119 13D+1 -0.02001 0.00000 0.00000 -0.02112 0.00000
|
|
120 13D-1 -0.01689 0.00000 0.00000 0.00053 0.00000
|
|
121 13D+2 0.00000 -0.00782 0.01722 0.00000 0.00728
|
|
122 13D-2 0.00000 0.02738 -0.02346 0.00000 -0.00629
|
|
123 14D 0 0.00000 -0.04224 -0.02797 0.00000 -0.44692
|
|
124 14D+1 0.03010 0.00000 0.00000 0.09112 0.00000
|
|
125 14D-1 0.03852 0.00000 0.00000 0.01346 0.00000
|
|
126 14D+2 0.00000 0.23211 -0.08937 0.00000 0.19631
|
|
127 14D-2 0.00000 -0.30003 0.25828 0.00000 -0.34667
|
|
128 15D 0 0.00000 -1.62265 1.03858 0.00000 -0.86958
|
|
129 15D+1 -0.21766 0.00000 0.00000 -0.85804 0.00000
|
|
130 15D-1 -0.65956 0.00000 0.00000 0.01108 0.00000
|
|
131 15D+2 0.00000 1.37281 -0.16331 0.00000 3.04294
|
|
132 15D-2 0.00000 -2.66438 -0.26140 0.00000 -2.32145
|
|
133 16F 0 0.00248 0.00000 0.00000 -0.00141 0.00000
|
|
134 16F+1 0.00000 0.00211 0.00152 0.00000 0.00129
|
|
135 16F-1 0.00000 -0.00288 0.00496 0.00000 0.00393
|
|
136 16F+2 0.00094 0.00000 0.00000 0.00116 0.00000
|
|
137 16F-2 0.00109 0.00000 0.00000 -0.00556 0.00000
|
|
138 16F+3 0.00000 0.00288 0.00180 0.00000 -0.00081
|
|
139 16F-3 0.00000 0.00083 -0.00296 0.00000 0.01018
|
|
140 17F 0 -0.00921 0.00000 0.00000 0.00648 0.00000
|
|
141 17F+1 0.00000 -0.01650 -0.00972 0.00000 -0.03129
|
|
142 17F-1 0.00000 0.02296 -0.03195 0.00000 -0.02222
|
|
143 17F+2 -0.01047 0.00000 0.00000 -0.00048 0.00000
|
|
144 17F-2 -0.00731 0.00000 0.00000 0.03775 0.00000
|
|
145 17F+3 0.00000 -0.01542 -0.01010 0.00000 0.01076
|
|
146 17F-3 0.00000 -0.01479 0.01588 0.00000 -0.08593
|
|
147 18F 0 0.06197 0.00000 0.00000 -0.01609 0.00000
|
|
148 18F+1 0.00000 -0.21876 0.26199 0.00000 -0.34016
|
|
149 18F-1 0.00000 0.07885 -0.07343 0.00000 0.36446
|
|
150 18F+2 0.11092 0.00000 0.00000 -0.11350 0.00000
|
|
151 18F-2 -0.00692 0.00000 0.00000 -0.20717 0.00000
|
|
152 18F+3 0.00000 0.29991 0.49514 0.00000 0.23096
|
|
153 18F-3 0.00000 -0.41262 0.42127 0.00000 -0.32360
|
|
154 19G 0 0.00000 -0.00382 0.00188 0.00000 0.00511
|
|
155 19G+1 0.00124 0.00000 0.00000 -0.00386 0.00000
|
|
156 19G-1 -0.00199 0.00000 0.00000 0.00027 0.00000
|
|
157 19G+2 0.00000 -0.00037 0.00038 0.00000 0.00401
|
|
158 19G-2 0.00000 -0.00145 -0.00059 0.00000 -0.00174
|
|
159 19G+3 -0.00059 0.00000 0.00000 0.00060 0.00000
|
|
160 19G-3 -0.00092 0.00000 0.00000 0.00214 0.00000
|
|
161 19G+4 0.00000 -0.00025 0.00030 0.00000 0.00271
|
|
162 19G-4 0.00000 -0.00295 -0.00936 0.00000 -0.00235
|
|
163 20G 0 0.00000 0.03828 -0.01512 0.00000 -0.00242
|
|
164 20G+1 -0.01110 0.00000 0.00000 0.02322 0.00000
|
|
165 20G-1 0.01874 0.00000 0.00000 -0.00371 0.00000
|
|
166 20G+2 0.00000 -0.01691 0.00539 0.00000 -0.04959
|
|
167 20G-2 0.00000 0.03403 -0.01367 0.00000 0.03677
|
|
168 20G+3 0.00416 0.00000 0.00000 -0.00981 0.00000
|
|
169 20G-3 -0.00112 0.00000 0.00000 -0.01260 0.00000
|
|
170 20G+4 0.00000 -0.00669 0.02714 0.00000 -0.00942
|
|
171 20G-4 0.00000 -0.01764 0.09889 0.00000 -0.04381
|
|
172 21H 0 -0.00069 0.00000 0.00000 -0.00021 0.00000
|
|
173 21H+1 0.00000 0.00210 -0.00223 0.00000 0.00203
|
|
174 21H-1 0.00000 0.00020 0.00371 0.00000 -0.00253
|
|
175 21H+2 -0.00251 0.00000 0.00000 0.00130 0.00000
|
|
176 21H-2 0.00231 0.00000 0.00000 -0.00013 0.00000
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|
177 21H+3 0.00000 -0.00300 -0.00257 0.00000 -0.00248
|
|
178 21H-3 0.00000 0.00341 -0.00344 0.00000 0.00177
|
|
179 21H+4 0.00001 0.00000 0.00000 -0.00023 0.00000
|
|
180 21H-4 -0.00193 0.00000 0.00000 -0.00021 0.00000
|
|
181 21H+5 0.00000 -0.00331 0.00262 0.00000 -0.00386
|
|
182 21H-5 0.00000 -0.00525 0.00240 0.00000 -0.00529
|
|
183 3 H 1S 0.00000 0.01226 -0.00026 0.00000 -0.01968
|
|
184 2S 0.00000 -0.01255 -0.01921 0.00000 0.02248
|
|
185 3S 0.00000 -1.93956 2.18717 0.00000 2.47182
|
|
186 4S 0.00000 7.81587 0.28553 0.00000 -4.26477
|
|
187 5S 0.00000 -0.22899 0.10149 0.00000 0.16965
|
|
188 6PX 0.00000 -0.00447 0.00018 0.00000 -0.00032
|
|
189 6PY 0.00000 -0.00872 0.00099 0.00000 0.00419
|
|
190 6PZ 0.02113 0.00000 0.00000 -0.01303 0.00000
|
|
191 7PX 0.00000 0.02950 -0.02234 0.00000 0.00920
|
|
192 7PY 0.00000 0.01054 -0.07228 0.00000 0.00168
|
|
193 7PZ -0.17969 0.00000 0.00000 0.05755 0.00000
|
|
194 8PX 0.00000 -0.47171 0.75003 0.00000 0.63777
|
|
195 8PY 0.00000 0.35085 0.81564 0.00000 -0.39612
|
|
196 8PZ 1.57298 0.00000 0.00000 -0.30748 0.00000
|
|
197 9PX 0.00000 1.70634 0.06568 0.00000 -2.92338
|
|
198 9PY 0.00000 -0.73526 0.77851 0.00000 -0.12672
|
|
199 9PZ 2.83642 0.00000 0.00000 -0.47388 0.00000
|
|
200 10D 0 0.00000 -0.00512 0.00167 0.00000 0.00051
|
|
201 10D+1 -0.01562 0.00000 0.00000 0.00571 0.00000
|
|
202 10D-1 0.00487 0.00000 0.00000 0.00007 0.00000
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|
203 10D+2 0.00000 -0.01271 -0.01144 0.00000 -0.01012
|
|
204 10D-2 0.00000 -0.01333 -0.01734 0.00000 0.01012
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|
205 11D 0 0.00000 0.03170 -0.00332 0.00000 -0.02808
|
|
206 11D+1 0.13117 0.00000 0.00000 -0.02825 0.00000
|
|
207 11D-1 -0.02445 0.00000 0.00000 0.01700 0.00000
|
|
208 11D+2 0.00000 0.07300 0.10805 0.00000 0.06523
|
|
209 11D-2 0.00000 0.08929 0.10253 0.00000 -0.08042
|
|
210 12D 0 0.00000 -0.05994 -0.05216 0.00000 0.21010
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211 12D+1 1.52899 0.00000 0.00000 0.00329 0.00000
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212 12D-1 -0.39473 0.00000 0.00000 -0.17217 0.00000
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213 12D+2 0.00000 -0.02247 0.47333 0.00000 -0.51159
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214 12D-2 0.00000 0.25142 0.92514 0.00000 -0.28362
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215 13F 0 0.00151 0.00000 0.00000 0.00820 0.00000
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216 13F+1 0.00000 0.00099 0.00570 0.00000 -0.00715
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217 13F-1 0.00000 0.00290 -0.00215 0.00000 0.00213
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218 13F+2 0.00112 0.00000 0.00000 0.00391 0.00000
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|
219 13F-2 0.00455 0.00000 0.00000 0.00842 0.00000
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220 13F+3 0.00000 0.00224 0.00030 0.00000 0.00285
|
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221 13F-3 0.00000 -0.00511 -0.01122 0.00000 0.00538
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222 14F 0 -0.15773 0.00000 0.00000 -0.04218 0.00000
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223 14F+1 0.00000 -0.00567 -0.01318 0.00000 0.05311
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224 14F-1 0.00000 -0.02916 -0.04772 0.00000 -0.00299
|
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225 14F+2 0.18869 0.00000 0.00000 -0.00967 0.00000
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226 14F-2 -0.08851 0.00000 0.00000 -0.04007 0.00000
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227 14F+3 0.00000 0.06927 0.14724 0.00000 -0.08343
|
|
228 14F-3 0.00000 0.07438 0.17221 0.00000 -0.07773
|
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229 15G 0 0.00000 -0.00039 -0.00309 0.00000 0.00010
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230 15G+1 -0.01127 0.00000 0.00000 -0.00150 0.00000
|
|
231 15G-1 -0.00056 0.00000 0.00000 0.00030 0.00000
|
|
232 15G+2 0.00000 0.00018 0.00072 0.00000 0.00003
|
|
233 15G-2 0.00000 0.00033 -0.00745 0.00000 -0.00126
|
|
234 15G+3 0.01092 0.00000 0.00000 0.00374 0.00000
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|
235 15G-3 -0.00434 0.00000 0.00000 -0.00070 0.00000
|
|
236 15G+4 0.00000 0.00642 0.01087 0.00000 -0.00749
|
|
237 15G-4 0.00000 -0.00038 0.00257 0.00000 0.00125
|
|
238 4 H 1S 0.00000 -0.00400 -0.02147 0.00000 -0.00309
|
|
239 2S 0.00000 0.11856 0.03754 0.00000 0.36022
|
|
240 3S 0.00000 -5.79851 2.54215 0.00000 -9.50961
|
|
241 4S 0.00000 -4.33737 2.82652 0.00000 -2.57174
|
|
242 5S 0.00000 -0.10798 -0.13979 0.00000 -0.11732
|
|
243 6PX 0.00000 -0.01280 0.00531 0.00000 -0.01016
|
|
244 6PY 0.00000 0.00637 0.00347 0.00000 0.00936
|
|
245 6PZ -0.00827 0.00000 0.00000 0.01108 0.00000
|
|
246 7PX 0.00000 0.03240 -0.04368 0.00000 -0.02702
|
|
247 7PY 0.00000 -0.05688 0.02140 0.00000 -0.04700
|
|
248 7PZ 0.03431 0.00000 0.00000 -0.05513 0.00000
|
|
249 8PX 0.00000 1.58214 -0.88416 0.00000 2.80809
|
|
250 8PY 0.00000 -0.16096 -0.10384 0.00000 -0.72225
|
|
251 8PZ -0.24763 0.00000 0.00000 0.27948 0.00000
|
|
252 9PX 0.00000 2.48784 -1.08163 0.00000 2.74400
|
|
253 9PY 0.00000 -0.51850 -1.21655 0.00000 1.10865
|
|
254 9PZ 0.30191 0.00000 0.00000 0.45389 0.00000
|
|
255 10D 0 0.00000 0.00943 0.00143 0.00000 -0.02249
|
|
256 10D+1 -0.00941 0.00000 0.00000 0.01476 0.00000
|
|
257 10D-1 -0.01381 0.00000 0.00000 0.03107 0.00000
|
|
258 10D+2 0.00000 0.01012 -0.00417 0.00000 0.00515
|
|
259 10D-2 0.00000 -0.01358 -0.01027 0.00000 -0.00875
|
|
260 11D 0 0.00000 0.03671 -0.05777 0.00000 0.24229
|
|
261 11D+1 0.06096 0.00000 0.00000 -0.06895 0.00000
|
|
262 11D-1 0.04876 0.00000 0.00000 -0.13737 0.00000
|
|
263 11D+2 0.00000 -0.16264 0.11565 0.00000 -0.19059
|
|
264 11D-2 0.00000 0.13735 0.03980 0.00000 0.16737
|
|
265 12D 0 0.00000 0.32561 0.08399 0.00000 -0.05029
|
|
266 12D+1 -0.14080 0.00000 0.00000 0.15372 0.00000
|
|
267 12D-1 -0.18238 0.00000 0.00000 0.70155 0.00000
|
|
268 12D+2 0.00000 -0.41190 0.37949 0.00000 -1.10348
|
|
269 12D-2 0.00000 -0.51197 0.68521 0.00000 -0.05204
|
|
270 13F 0 0.00548 0.00000 0.00000 -0.00179 0.00000
|
|
271 13F+1 0.00000 -0.01144 0.00368 0.00000 -0.02053
|
|
272 13F-1 0.00000 0.00225 -0.00624 0.00000 0.01365
|
|
273 13F+2 -0.00108 0.00000 0.00000 0.00518 0.00000
|
|
274 13F-2 0.00592 0.00000 0.00000 0.00283 0.00000
|
|
275 13F+3 0.00000 0.00464 -0.00428 0.00000 0.00743
|
|
276 13F-3 0.00000 -0.01409 0.00582 0.00000 -0.01056
|
|
277 14F 0 -0.01557 0.00000 0.00000 -0.00381 0.00000
|
|
278 14F+1 0.00000 -0.02054 -0.00245 0.00000 -0.04207
|
|
279 14F-1 0.00000 -0.00770 0.07145 0.00000 -0.05686
|
|
280 14F+2 -0.01316 0.00000 0.00000 -0.03965 0.00000
|
|
281 14F-2 -0.01939 0.00000 0.00000 -0.05313 0.00000
|
|
282 14F+3 0.00000 0.10307 -0.13296 0.00000 0.14707
|
|
283 14F-3 0.00000 0.05177 -0.10730 0.00000 -0.06597
|
|
284 15G 0 0.00000 -0.00223 -0.00303 0.00000 -0.00346
|
|
285 15G+1 -0.00051 0.00000 0.00000 0.00084 0.00000
|
|
286 15G-1 -0.00075 0.00000 0.00000 -0.00202 0.00000
|
|
287 15G+2 0.00000 0.00514 -0.00114 0.00000 0.00736
|
|
288 15G-2 0.00000 0.00110 -0.00371 0.00000 0.00042
|
|
289 15G+3 0.00123 0.00000 0.00000 0.00385 0.00000
|
|
290 15G-3 -0.00194 0.00000 0.00000 0.00300 0.00000
|
|
291 15G+4 0.00000 -0.00900 0.01108 0.00000 -0.00838
|
|
292 15G-4 0.00000 -0.00051 0.00133 0.00000 0.00639
|
|
293 5 H 1S -0.00207 -0.00180 -0.00577 -0.00698 -0.00708
|
|
294 2S 0.08105 -0.02789 0.02627 -0.11871 0.14506
|
|
295 3S -2.78837 -2.85067 0.66406 4.33835 -2.20173
|
|
296 4S -4.03760 -0.83655 -2.83211 1.65572 -3.70029
|
|
297 5S -0.13169 -0.15349 0.07104 -0.18220 0.21022
|
|
298 6PX 0.00277 0.00627 0.01055 0.00592 0.00446
|
|
299 6PY -0.00113 0.00173 -0.00137 0.00405 0.00983
|
|
300 6PZ -0.00476 -0.00985 -0.00588 -0.00828 -0.00194
|
|
301 7PX -0.06718 -0.00943 -0.06896 -0.06691 -0.03920
|
|
302 7PY 0.00722 -0.00273 0.04987 -0.03427 -0.07273
|
|
303 7PZ 0.04068 0.04866 0.01571 0.09306 0.01137
|
|
304 8PX 1.21837 0.20302 0.48298 0.05226 0.51042
|
|
305 8PY 0.21745 0.23698 -0.66169 -0.16691 0.69957
|
|
306 8PZ 0.26351 0.27759 -0.07015 -1.77312 0.31628
|
|
307 9PX 1.62515 -0.00282 1.44586 1.81688 1.57634
|
|
308 9PY 0.72162 1.36863 -0.95290 0.54578 0.61433
|
|
309 9PZ 0.05923 -0.80925 0.82228 -1.15149 -0.15665
|
|
310 10D 0 -0.00510 0.00837 0.00974 -0.01403 -0.00350
|
|
311 10D+1 0.01515 -0.00292 0.00057 -0.00680 0.00901
|
|
312 10D-1 -0.00226 -0.00120 -0.00402 0.00267 0.01212
|
|
313 10D+2 0.00977 -0.00129 0.00795 -0.00045 -0.00141
|
|
314 10D-2 0.01010 -0.00895 -0.00705 -0.01358 -0.00433
|
|
315 11D 0 0.02837 -0.06334 -0.05735 0.13175 0.00025
|
|
316 11D+1 -0.13546 0.00152 -0.01461 0.07115 -0.07462
|
|
317 11D-1 -0.01885 -0.01353 0.03466 0.03417 -0.08491
|
|
318 11D+2 -0.07846 0.00439 -0.06026 0.00183 0.00294
|
|
319 11D-2 -0.06500 0.03920 0.04334 0.07829 -0.00657
|
|
320 12D 0 0.59546 0.18423 -0.14195 1.07144 0.40904
|
|
321 12D+1 -0.51626 0.24985 -0.56355 -0.47787 -0.10908
|
|
322 12D-1 0.15623 -0.03188 0.59642 0.19440 -0.10964
|
|
323 12D+2 -0.29909 0.19332 -0.47289 -0.25342 0.03859
|
|
324 12D-2 -0.38838 -0.07307 0.09146 -0.71148 -0.37430
|
|
325 13F 0 -0.00072 -0.00125 -0.00206 0.00235 0.00397
|
|
326 13F+1 0.00300 0.00270 -0.00481 -0.00232 0.00384
|
|
327 13F-1 0.00821 0.00257 0.00526 -0.00138 0.00220
|
|
328 13F+2 0.00088 0.00314 0.00157 -0.00513 -0.00023
|
|
329 13F-2 0.00024 0.00014 0.00185 -0.00855 0.00772
|
|
330 13F+3 0.00694 0.00007 -0.00245 0.00058 0.00194
|
|
331 13F-3 -0.00223 0.00435 -0.00205 0.00070 0.00204
|
|
332 14F 0 -0.12719 0.03183 0.05822 -0.17266 -0.08475
|
|
333 14F+1 0.02258 -0.04273 0.08921 -0.00646 -0.01217
|
|
334 14F-1 -0.07669 -0.00408 -0.05036 -0.08015 -0.00214
|
|
335 14F+2 0.08837 -0.04776 0.10602 0.07727 0.00098
|
|
336 14F-2 0.05817 -0.03424 -0.04156 0.09693 0.02773
|
|
337 14F+3 -0.00855 -0.00663 0.06704 -0.01212 -0.03453
|
|
338 14F-3 0.06411 -0.03966 0.02690 0.02585 0.00937
|
|
339 15G 0 0.00884 -0.00216 -0.00198 0.00766 0.00193
|
|
340 15G+1 0.00328 0.00046 -0.00201 0.00399 0.00304
|
|
341 15G-1 0.00417 -0.00170 -0.00353 0.00830 0.00215
|
|
342 15G+2 -0.00352 0.00208 -0.00736 -0.00572 0.00018
|
|
343 15G-2 -0.00089 0.00436 0.00037 -0.00429 -0.00341
|
|
344 15G+3 -0.00384 0.00037 -0.00515 0.00147 0.00262
|
|
345 15G-3 -0.00289 0.00280 -0.00234 -0.00478 -0.00209
|
|
346 15G+4 -0.00073 0.00109 -0.00108 0.00115 0.00145
|
|
347 15G-4 -0.00397 0.00058 -0.00124 -0.00006 0.00035
|
|
348 6 H 1S 0.00207 -0.00180 -0.00577 0.00698 -0.00708
|
|
349 2S -0.08105 -0.02789 0.02627 0.11871 0.14506
|
|
350 3S 2.78837 -2.85067 0.66406 -4.33835 -2.20173
|
|
351 4S 4.03760 -0.83655 -2.83211 -1.65572 -3.70029
|
|
352 5S 0.13169 -0.15349 0.07104 0.18220 0.21022
|
|
353 6PX -0.00277 0.00627 0.01055 -0.00592 0.00446
|
|
354 6PY 0.00113 0.00173 -0.00137 -0.00405 0.00983
|
|
355 6PZ -0.00476 0.00985 0.00588 -0.00828 0.00194
|
|
356 7PX 0.06718 -0.00943 -0.06896 0.06691 -0.03920
|
|
357 7PY -0.00722 -0.00273 0.04987 0.03427 -0.07273
|
|
358 7PZ 0.04068 -0.04866 -0.01571 0.09306 -0.01137
|
|
359 8PX -1.21837 0.20302 0.48298 -0.05226 0.51042
|
|
360 8PY -0.21745 0.23698 -0.66169 0.16691 0.69957
|
|
361 8PZ 0.26351 -0.27759 0.07015 -1.77312 -0.31628
|
|
362 9PX -1.62515 -0.00282 1.44586 -1.81688 1.57634
|
|
363 9PY -0.72162 1.36863 -0.95290 -0.54578 0.61433
|
|
364 9PZ 0.05923 0.80925 -0.82228 -1.15149 0.15665
|
|
365 10D 0 0.00510 0.00837 0.00974 0.01403 -0.00350
|
|
366 10D+1 0.01515 0.00292 -0.00057 -0.00680 -0.00901
|
|
367 10D-1 -0.00226 0.00120 0.00402 0.00267 -0.01212
|
|
368 10D+2 -0.00977 -0.00129 0.00795 0.00045 -0.00141
|
|
369 10D-2 -0.01010 -0.00895 -0.00705 0.01358 -0.00433
|
|
370 11D 0 -0.02837 -0.06334 -0.05735 -0.13175 0.00025
|
|
371 11D+1 -0.13546 -0.00152 0.01461 0.07115 0.07462
|
|
372 11D-1 -0.01885 0.01353 -0.03466 0.03417 0.08491
|
|
373 11D+2 0.07846 0.00439 -0.06026 -0.00183 0.00294
|
|
374 11D-2 0.06500 0.03920 0.04334 -0.07829 -0.00657
|
|
375 12D 0 -0.59546 0.18423 -0.14195 -1.07144 0.40904
|
|
376 12D+1 -0.51626 -0.24985 0.56355 -0.47787 0.10908
|
|
377 12D-1 0.15623 0.03188 -0.59642 0.19440 0.10964
|
|
378 12D+2 0.29909 0.19332 -0.47289 0.25342 0.03859
|
|
379 12D-2 0.38838 -0.07307 0.09146 0.71148 -0.37430
|
|
380 13F 0 -0.00072 0.00125 0.00206 0.00235 -0.00397
|
|
381 13F+1 -0.00300 0.00270 -0.00481 0.00232 0.00384
|
|
382 13F-1 -0.00821 0.00257 0.00526 0.00138 0.00220
|
|
383 13F+2 0.00088 -0.00314 -0.00157 -0.00513 0.00023
|
|
384 13F-2 0.00024 -0.00014 -0.00185 -0.00855 -0.00772
|
|
385 13F+3 -0.00694 0.00007 -0.00245 -0.00058 0.00194
|
|
386 13F-3 0.00223 0.00435 -0.00205 -0.00070 0.00204
|
|
387 14F 0 -0.12719 -0.03183 -0.05822 -0.17266 0.08475
|
|
388 14F+1 -0.02258 -0.04273 0.08921 0.00646 -0.01217
|
|
389 14F-1 0.07669 -0.00408 -0.05036 0.08015 -0.00214
|
|
390 14F+2 0.08837 0.04776 -0.10602 0.07727 -0.00098
|
|
391 14F-2 0.05817 0.03424 0.04156 0.09693 -0.02773
|
|
392 14F+3 0.00855 -0.00663 0.06704 0.01212 -0.03453
|
|
393 14F-3 -0.06411 -0.03966 0.02690 -0.02585 0.00937
|
|
394 15G 0 -0.00884 -0.00216 -0.00198 -0.00766 0.00193
|
|
395 15G+1 0.00328 -0.00046 0.00201 0.00399 -0.00304
|
|
396 15G-1 0.00417 0.00170 0.00353 0.00830 -0.00215
|
|
397 15G+2 0.00352 0.00208 -0.00736 0.00572 0.00018
|
|
398 15G-2 0.00089 0.00436 0.00037 0.00429 -0.00341
|
|
399 15G+3 -0.00384 -0.00037 0.00515 0.00147 -0.00262
|
|
400 15G-3 -0.00289 -0.00280 0.00234 -0.00478 0.00209
|
|
401 15G+4 0.00073 0.00109 -0.00108 -0.00115 0.00145
|
|
402 15G-4 0.00397 0.00058 -0.00124 0.00006 0.00035
|
|
61 62 63 64 65
|
|
V V V V V
|
|
Eigenvalues -- 1.64324 1.65148 1.66588 1.76566 1.76922
|
|
1 1 C 1S -0.01284 0.00000 0.00528 0.00000 -0.00080
|
|
2 2S 0.02728 0.00000 -0.02906 0.00000 0.01241
|
|
3 3S 0.10435 0.00000 -0.15850 0.00000 0.10645
|
|
4 4S -2.24422 0.00000 1.92771 0.00000 -1.89925
|
|
5 5S 6.21850 0.00000 -1.73350 0.00000 9.03026
|
|
6 6S 0.26248 0.00000 2.87509 0.00000 1.16848
|
|
7 7PX -0.00709 0.00000 -0.01363 0.00000 0.02288
|
|
8 7PY -0.02039 0.00000 -0.02850 0.00000 -0.01216
|
|
9 7PZ 0.00000 -0.00026 0.00000 -0.01828 0.00000
|
|
10 8PX 0.11939 0.00000 0.16871 0.00000 -0.02361
|
|
11 8PY 0.05057 0.00000 0.12867 0.00000 0.02713
|
|
12 8PZ 0.00000 -0.15651 0.00000 0.23801 0.00000
|
|
13 9PX -0.45791 0.00000 -2.49761 0.00000 0.27324
|
|
14 9PY -2.36393 0.00000 -1.87791 0.00000 -0.58835
|
|
15 9PZ 0.00000 -0.02368 0.00000 -2.30070 0.00000
|
|
16 10PX -0.94197 0.00000 1.34861 0.00000 4.24713
|
|
17 10PY 1.50854 0.00000 3.72076 0.00000 2.16029
|
|
18 10PZ 0.00000 0.44593 0.00000 -1.32726 0.00000
|
|
19 11PX -0.41969 0.00000 1.13003 0.00000 -0.78884
|
|
20 11PY 0.36540 0.00000 0.13571 0.00000 0.02782
|
|
21 11PZ 0.00000 1.00069 0.00000 0.79352 0.00000
|
|
22 12D 0 0.00714 0.00000 -0.00429 0.00000 0.00440
|
|
23 12D+1 0.00000 -0.01233 0.00000 -0.00072 0.00000
|
|
24 12D-1 0.00000 0.00934 0.00000 0.00943 0.00000
|
|
25 12D+2 0.00816 0.00000 0.00388 0.00000 -0.00359
|
|
26 12D-2 -0.00311 0.00000 0.00697 0.00000 -0.02308
|
|
27 13D 0 -0.06387 0.00000 0.09171 0.00000 0.03506
|
|
28 13D+1 0.00000 0.00950 0.00000 0.07145 0.00000
|
|
29 13D-1 0.00000 0.00704 0.00000 0.05326 0.00000
|
|
30 13D+2 -0.19581 0.00000 -0.04903 0.00000 0.02583
|
|
31 13D-2 -0.00285 0.00000 0.06235 0.00000 0.11205
|
|
32 14D 0 0.20385 0.00000 -3.46710 0.00000 -0.47841
|
|
33 14D+1 0.00000 -1.01608 0.00000 -2.13524 0.00000
|
|
34 14D-1 0.00000 -0.96252 0.00000 -1.91967 0.00000
|
|
35 14D+2 1.44869 0.00000 0.83062 0.00000 -0.66923
|
|
36 14D-2 0.27244 0.00000 -1.88186 0.00000 -1.26682
|
|
37 15D 0 0.53064 0.00000 0.69909 0.00000 -1.25896
|
|
38 15D+1 0.00000 2.68456 0.00000 -1.11767 0.00000
|
|
39 15D-1 0.00000 -1.51257 0.00000 -2.65479 0.00000
|
|
40 15D+2 4.78169 0.00000 1.57062 0.00000 -0.18188
|
|
41 15D-2 0.73625 0.00000 -2.71329 0.00000 0.53061
|
|
42 16F 0 0.00000 0.00035 0.00000 0.00260 0.00000
|
|
43 16F+1 -0.00598 0.00000 0.01990 0.00000 -0.00746
|
|
44 16F-1 -0.01880 0.00000 0.01990 0.00000 -0.00891
|
|
45 16F+2 0.00000 -0.00312 0.00000 -0.03123 0.00000
|
|
46 16F-2 0.00000 0.03553 0.00000 0.01452 0.00000
|
|
47 16F+3 0.00744 0.00000 -0.00243 0.00000 0.00199
|
|
48 16F-3 -0.01108 0.00000 -0.02616 0.00000 -0.00218
|
|
49 17F 0 0.00000 0.07773 0.00000 -0.06380 0.00000
|
|
50 17F+1 0.12902 0.00000 -0.14849 0.00000 0.01932
|
|
51 17F-1 0.09064 0.00000 -0.34258 0.00000 0.05564
|
|
52 17F+2 0.00000 0.14149 0.00000 0.29671 0.00000
|
|
53 17F-2 0.00000 -0.32669 0.00000 -0.32715 0.00000
|
|
54 17F+3 -0.11440 0.00000 0.01519 0.00000 -0.00087
|
|
55 17F-3 0.04436 0.00000 0.35404 0.00000 0.07840
|
|
56 18F 0 0.00000 1.38249 0.00000 -0.32381 0.00000
|
|
57 18F+1 2.56741 0.00000 -0.96525 0.00000 -0.08562
|
|
58 18F-1 -0.48408 0.00000 -3.26326 0.00000 0.09732
|
|
59 18F+2 0.00000 1.80758 0.00000 0.83849 0.00000
|
|
60 18F-2 0.00000 -0.66287 0.00000 -1.82908 0.00000
|
|
61 18F+3 -1.54142 0.00000 0.46474 0.00000 -1.48760
|
|
62 18F-3 -0.70716 0.00000 0.86933 0.00000 1.33277
|
|
63 19G 0 0.00036 0.00000 0.00927 0.00000 -0.00325
|
|
64 19G+1 0.00000 -0.00532 0.00000 -0.00034 0.00000
|
|
65 19G-1 0.00000 0.00794 0.00000 -0.01886 0.00000
|
|
66 19G+2 0.00391 0.00000 0.00385 0.00000 0.01148
|
|
67 19G-2 -0.01505 0.00000 0.01186 0.00000 -0.01102
|
|
68 19G+3 0.00000 -0.01199 0.00000 -0.00204 0.00000
|
|
69 19G-3 0.00000 0.00629 0.00000 0.00146 0.00000
|
|
70 19G+4 0.00669 0.00000 0.00859 0.00000 -0.00477
|
|
71 19G-4 -0.00278 0.00000 -0.00552 0.00000 -0.02168
|
|
72 20G 0 0.11840 0.00000 -0.12567 0.00000 0.09161
|
|
73 20G+1 0.00000 0.36169 0.00000 0.10174 0.00000
|
|
74 20G-1 0.00000 -0.02962 0.00000 -0.02326 0.00000
|
|
75 20G+2 0.03079 0.00000 0.12694 0.00000 -0.10558
|
|
76 20G-2 0.10150 0.00000 -0.18196 0.00000 0.19789
|
|
77 20G+3 0.00000 0.16603 0.00000 0.14403 0.00000
|
|
78 20G-3 0.00000 -0.02904 0.00000 0.01247 0.00000
|
|
79 20G+4 0.19572 0.00000 -0.14562 0.00000 -0.08680
|
|
80 20G-4 0.06444 0.00000 -0.03381 0.00000 0.17515
|
|
81 21H 0 0.00000 0.02599 0.00000 0.02586 0.00000
|
|
82 21H+1 0.01237 0.00000 -0.03527 0.00000 0.00917
|
|
83 21H-1 0.00966 0.00000 -0.03338 0.00000 0.01112
|
|
84 21H+2 0.00000 0.00014 0.00000 0.00109 0.00000
|
|
85 21H-2 0.00000 0.01138 0.00000 -0.00795 0.00000
|
|
86 21H+3 0.03581 0.00000 0.01976 0.00000 -0.00851
|
|
87 21H-3 0.01797 0.00000 0.00925 0.00000 -0.00961
|
|
88 21H+4 0.00000 0.02083 0.00000 0.03000 0.00000
|
|
89 21H-4 0.00000 -0.01159 0.00000 -0.01307 0.00000
|
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343 15G-2 0.00176 -0.00192 -0.00156 -0.00205 -0.00025
|
|
344 15G+3 0.00201 0.00401 0.00130 0.00297 -0.00009
|
|
345 15G-3 -0.00026 0.00092 0.00545 0.00281 -0.00101
|
|
346 15G+4 0.00185 0.00115 -0.00288 -0.00073 0.00098
|
|
347 15G-4 -0.00022 0.00279 0.00232 0.00016 0.00050
|
|
348 6 H 1S 0.00526 -0.00315 -0.01094 0.00530 -0.00914
|
|
349 2S -0.02651 0.07444 -0.14018 0.18766 0.03150
|
|
350 3S -2.15802 -0.53855 5.54167 -4.14276 -1.10701
|
|
351 4S -0.35627 -0.00386 -3.72284 -1.80401 -2.88241
|
|
352 5S 0.01129 0.49228 -0.13427 0.62332 0.35109
|
|
353 6PX -0.01028 0.00785 -0.00134 -0.00080 -0.01097
|
|
354 6PY 0.01309 -0.01304 0.00841 0.00017 -0.00862
|
|
355 6PZ 0.00402 0.00204 0.00158 -0.00513 -0.00599
|
|
356 7PX 0.06172 -0.03675 0.06633 -0.01861 0.04946
|
|
357 7PY -0.08221 0.09560 -0.03301 0.01409 0.04795
|
|
358 7PZ -0.03690 0.02792 -0.00738 0.05994 0.02834
|
|
359 8PX -0.11363 0.22810 -1.36800 0.63927 -0.06853
|
|
360 8PY 0.76900 -0.70089 -0.47800 0.28768 -0.20037
|
|
361 8PZ -0.16130 -0.52895 1.20536 -1.48773 -0.28022
|
|
362 9PX -0.86363 1.11815 -0.82836 0.74982 -0.09748
|
|
363 9PY 0.92269 -1.96212 1.30247 -1.37134 -0.36212
|
|
364 9PZ 0.15986 -1.39375 -1.00456 -0.78085 -1.80772
|
|
365 10D 0 -0.00392 0.00611 0.00602 0.01148 -0.01112
|
|
366 10D+1 -0.00615 -0.00314 0.00981 0.00567 -0.01197
|
|
367 10D-1 0.00336 0.00127 0.01101 -0.02497 0.00725
|
|
368 10D+2 -0.01204 -0.00768 -0.00937 0.00333 -0.00794
|
|
369 10D-2 0.00203 -0.01246 -0.00825 -0.00441 0.00244
|
|
370 11D 0 0.01092 -0.06205 -0.00208 -0.11314 0.06078
|
|
371 11D+1 0.03991 0.01947 -0.12353 0.02803 0.07758
|
|
372 11D-1 0.01991 -0.00614 -0.10325 0.15906 -0.02420
|
|
373 11D+2 0.04971 0.02835 0.05253 -0.01829 0.02607
|
|
374 11D-2 -0.02784 0.06013 0.08780 0.00246 -0.01847
|
|
375 12D 0 0.29011 -0.79015 -0.34208 -0.40997 -0.45633
|
|
376 12D+1 -0.42583 0.33983 -0.69824 0.68754 -0.26301
|
|
377 12D-1 0.31970 -0.46975 0.25032 -0.68582 -0.12682
|
|
378 12D+2 0.37135 -0.57781 0.46234 -0.30344 -0.23908
|
|
379 12D-2 -0.10908 0.23039 0.21827 -0.04147 -0.00459
|
|
380 13F 0 -0.00124 0.00172 0.00342 -0.00104 0.00667
|
|
381 13F+1 -0.00400 -0.00389 -0.00313 0.00375 0.00588
|
|
382 13F-1 0.00815 -0.00088 -0.00211 0.00435 0.00373
|
|
383 13F+2 -0.00387 0.00253 -0.00225 0.00821 0.00308
|
|
384 13F-2 -0.00240 -0.00306 0.00425 -0.00627 0.00089
|
|
385 13F+3 0.00389 -0.00233 0.00661 0.00274 0.00463
|
|
386 13F-3 0.00451 0.00137 0.00272 -0.00134 0.00082
|
|
387 14F 0 0.04791 -0.12773 -0.11706 -0.05748 -0.04513
|
|
388 14F+1 -0.03250 0.07726 -0.02659 0.07018 -0.03694
|
|
389 14F-1 -0.02577 0.01226 0.04847 -0.03004 -0.03528
|
|
390 14F+2 0.08448 -0.07181 0.10304 -0.11459 -0.04835
|
|
391 14F-2 -0.00733 0.06599 0.04688 0.03110 -0.01577
|
|
392 14F+3 -0.05656 0.05818 -0.03808 0.00193 -0.02605
|
|
393 14F-3 -0.02580 -0.00160 -0.08111 0.02426 0.01311
|
|
394 15G 0 0.00105 -0.00712 -0.00503 -0.00244 -0.00113
|
|
395 15G+1 -0.00559 0.00404 0.00293 0.00449 -0.00293
|
|
396 15G-1 0.00045 0.00387 0.00668 -0.00169 0.00115
|
|
397 15G+2 0.00462 -0.00204 0.00528 -0.00817 -0.00237
|
|
398 15G-2 0.00176 0.00192 -0.00156 0.00205 -0.00025
|
|
399 15G+3 -0.00201 0.00401 -0.00130 0.00297 0.00009
|
|
400 15G-3 0.00026 0.00092 -0.00545 0.00281 0.00101
|
|
401 15G+4 0.00185 -0.00115 -0.00288 0.00073 0.00098
|
|
402 15G-4 -0.00022 -0.00279 0.00232 -0.00016 0.00050
|
|
66 67 68 69 70
|
|
V V V V V
|
|
Eigenvalues -- 1.78029 1.82386 1.85803 1.87931 1.91093
|
|
1 1 C 1S 0.00000 0.01795 0.00000 0.01624 0.00000
|
|
2 2S 0.00000 -0.08187 0.00000 -0.09089 0.00000
|
|
3 3S 0.00000 -0.23935 0.00000 -0.28756 0.00000
|
|
4 4S 0.00000 0.14730 0.00000 -0.78153 0.00000
|
|
5 5S 0.00000 5.94851 0.00000 14.47437 0.00000
|
|
6 6S 0.00000 3.75533 0.00000 5.33655 0.00000
|
|
7 7PX 0.00000 -0.02928 0.00000 -0.01539 0.00000
|
|
8 7PY 0.00000 0.02325 0.00000 0.01802 0.00000
|
|
9 7PZ 0.00582 0.00000 -0.01113 0.00000 0.04015
|
|
10 8PX 0.00000 0.32705 0.00000 0.05619 0.00000
|
|
11 8PY 0.00000 0.10572 0.00000 -0.29660 0.00000
|
|
12 8PZ -0.01063 0.00000 0.30616 0.00000 -0.15451
|
|
13 9PX 0.00000 -2.63778 0.00000 0.27561 0.00000
|
|
14 9PY 0.00000 0.36316 0.00000 2.87776 0.00000
|
|
15 9PZ 0.27914 0.00000 -4.75518 0.00000 1.51619
|
|
16 10PX 0.00000 -2.55501 0.00000 1.52830 0.00000
|
|
17 10PY 0.00000 -1.21589 0.00000 6.47638 0.00000
|
|
18 10PZ 6.37807 0.00000 -7.30405 0.00000 9.24081
|
|
19 11PX 0.00000 -0.51713 0.00000 -0.26052 0.00000
|
|
20 11PY 0.00000 -0.40149 0.00000 0.31563 0.00000
|
|
21 11PZ 0.13000 0.00000 -0.00030 0.00000 -0.63047
|
|
22 12D 0 0.00000 0.00912 0.00000 0.00058 0.00000
|
|
23 12D+1 -0.00292 0.00000 0.00366 0.00000 0.00183
|
|
24 12D-1 -0.01144 0.00000 0.00609 0.00000 -0.01752
|
|
25 12D+2 0.00000 0.00327 0.00000 -0.00891 0.00000
|
|
26 12D-2 0.00000 0.01002 0.00000 -0.00462 0.00000
|
|
27 13D 0 0.00000 -0.01139 0.00000 0.08948 0.00000
|
|
28 13D+1 0.02733 0.00000 -0.02930 0.00000 0.02998
|
|
29 13D-1 0.08904 0.00000 -0.02041 0.00000 0.01388
|
|
30 13D+2 0.00000 -0.01340 0.00000 0.00819 0.00000
|
|
31 13D-2 0.00000 -0.07992 0.00000 -0.02250 0.00000
|
|
32 14D 0 0.00000 -0.54819 0.00000 -0.54447 0.00000
|
|
33 14D+1 -0.05030 0.00000 -2.22287 0.00000 -0.26996
|
|
34 14D-1 -0.79088 0.00000 -2.22095 0.00000 0.88720
|
|
35 14D+2 0.00000 1.04773 0.00000 0.36878 0.00000
|
|
36 14D-2 0.00000 -0.04224 0.00000 0.95948 0.00000
|
|
37 15D 0 0.00000 -2.04370 0.00000 -0.30179 0.00000
|
|
38 15D+1 -0.40953 0.00000 -1.87116 0.00000 -0.51548
|
|
39 15D-1 0.00721 0.00000 0.50695 0.00000 2.67310
|
|
40 15D+2 0.00000 0.94199 0.00000 1.26310 0.00000
|
|
41 15D-2 0.00000 2.88070 0.00000 -1.08662 0.00000
|
|
42 16F 0 -0.01477 0.00000 -0.00801 0.00000 0.01770
|
|
43 16F+1 0.00000 -0.00622 0.00000 -0.00353 0.00000
|
|
44 16F-1 0.00000 -0.00406 0.00000 -0.02358 0.00000
|
|
45 16F+2 0.00111 0.00000 -0.00745 0.00000 0.01028
|
|
46 16F-2 0.00253 0.00000 0.03803 0.00000 -0.00682
|
|
47 16F+3 0.00000 -0.00758 0.00000 0.01848 0.00000
|
|
48 16F-3 0.00000 -0.00200 0.00000 0.00805 0.00000
|
|
49 17F 0 0.15534 0.00000 0.06288 0.00000 -0.13110
|
|
50 17F+1 0.00000 0.15520 0.00000 0.16295 0.00000
|
|
51 17F-1 0.00000 0.04447 0.00000 0.27227 0.00000
|
|
52 17F+2 0.02242 0.00000 0.03139 0.00000 -0.07186
|
|
53 17F-2 -0.07066 0.00000 -0.42284 0.00000 0.08057
|
|
54 17F+3 0.00000 -0.07603 0.00000 -0.27716 0.00000
|
|
55 17F-3 0.00000 0.11044 0.00000 0.04827 0.00000
|
|
56 18F 0 -0.20540 0.00000 -0.05583 0.00000 -1.14552
|
|
57 18F+1 0.00000 -0.02076 0.00000 -0.24981 0.00000
|
|
58 18F-1 0.00000 -0.88148 0.00000 -0.58828 0.00000
|
|
59 18F+2 -0.77535 0.00000 -0.00218 0.00000 -0.94182
|
|
60 18F-2 -0.73765 0.00000 -0.51000 0.00000 -0.29533
|
|
61 18F+3 0.00000 0.07070 0.00000 -0.90460 0.00000
|
|
62 18F-3 0.00000 -0.57258 0.00000 0.56657 0.00000
|
|
63 19G 0 0.00000 -0.00534 0.00000 0.01286 0.00000
|
|
64 19G+1 0.01204 0.00000 0.00925 0.00000 0.00830
|
|
65 19G-1 -0.01440 0.00000 -0.01131 0.00000 -0.01558
|
|
66 19G+2 0.00000 0.00162 0.00000 -0.00910 0.00000
|
|
67 19G-2 0.00000 0.01768 0.00000 0.02471 0.00000
|
|
68 19G+3 -0.00461 0.00000 -0.00468 0.00000 -0.01270
|
|
69 19G-3 -0.02566 0.00000 -0.01966 0.00000 -0.00550
|
|
70 19G+4 0.00000 0.02716 0.00000 -0.00539 0.00000
|
|
71 19G-4 0.00000 -0.01368 0.00000 0.00318 0.00000
|
|
72 20G 0 0.00000 0.23610 0.00000 -0.31176 0.00000
|
|
73 20G+1 -0.04497 0.00000 -0.23224 0.00000 0.00319
|
|
74 20G-1 0.17641 0.00000 -0.07659 0.00000 0.19816
|
|
75 20G+2 0.00000 -0.16479 0.00000 -0.15317 0.00000
|
|
76 20G-2 0.00000 -0.15638 0.00000 0.10489 0.00000
|
|
77 20G+3 0.16532 0.00000 0.20815 0.00000 -0.01554
|
|
78 20G-3 0.18553 0.00000 0.02511 0.00000 0.13128
|
|
79 20G+4 0.00000 -0.05773 0.00000 0.01562 0.00000
|
|
80 20G-4 0.00000 -0.10230 0.00000 -0.10957 0.00000
|
|
81 21H 0 0.01236 0.00000 0.00895 0.00000 0.00173
|
|
82 21H+1 0.00000 0.00038 0.00000 -0.03124 0.00000
|
|
83 21H-1 0.00000 0.01841 0.00000 -0.02646 0.00000
|
|
84 21H+2 0.02783 0.00000 0.00601 0.00000 0.00082
|
|
85 21H-2 -0.00140 0.00000 -0.02917 0.00000 0.01560
|
|
86 21H+3 0.00000 0.00349 0.00000 -0.02444 0.00000
|
|
87 21H-3 0.00000 -0.01177 0.00000 0.01429 0.00000
|
|
88 21H+4 0.00999 0.00000 0.00253 0.00000 0.00183
|
|
89 21H-4 0.01288 0.00000 0.01236 0.00000 -0.00253
|
|
90 21H+5 0.00000 -0.02456 0.00000 -0.00727 0.00000
|
|
91 21H-5 0.00000 0.00582 0.00000 0.00219 0.00000
|
|
92 2 O 1S 0.00000 0.00378 0.00000 -0.01208 0.00000
|
|
93 2S 0.00000 -0.02352 0.00000 0.02861 0.00000
|
|
94 3S 0.00000 -0.07048 0.00000 0.05286 0.00000
|
|
95 4S 0.00000 0.01567 0.00000 -1.29234 0.00000
|
|
96 5S 0.00000 3.03058 0.00000 8.55049 0.00000
|
|
97 6S 0.00000 -4.32101 0.00000 16.62485 0.00000
|
|
98 7PX 0.00000 -0.00426 0.00000 -0.03252 0.00000
|
|
99 7PY 0.00000 0.02720 0.00000 -0.01798 0.00000
|
|
100 7PZ 0.03119 0.00000 -0.00020 0.00000 0.03584
|
|
101 8PX 0.00000 -0.02353 0.00000 -0.29826 0.00000
|
|
102 8PY 0.00000 0.05465 0.00000 0.05348 0.00000
|
|
103 8PZ 0.05382 0.00000 -0.04461 0.00000 0.02213
|
|
104 9PX 0.00000 0.40989 0.00000 1.49641 0.00000
|
|
105 9PY 0.00000 0.03430 0.00000 -0.61213 0.00000
|
|
106 9PZ 0.17673 0.00000 0.15677 0.00000 0.31840
|
|
107 10PX 0.00000 0.04695 0.00000 8.79742 0.00000
|
|
108 10PY 0.00000 -2.81843 0.00000 -2.39551 0.00000
|
|
109 10PZ -3.36448 0.00000 2.45051 0.00000 -2.22169
|
|
110 11PX 0.00000 0.95993 0.00000 2.41642 0.00000
|
|
111 11PY 0.00000 -1.22592 0.00000 -0.12720 0.00000
|
|
112 11PZ -0.56680 0.00000 0.77819 0.00000 -0.02538
|
|
113 12D 0 0.00000 0.00396 0.00000 -0.00258 0.00000
|
|
114 12D+1 -0.00870 0.00000 0.01364 0.00000 -0.00074
|
|
115 12D-1 -0.00029 0.00000 -0.00664 0.00000 0.00498
|
|
116 12D+2 0.00000 -0.00767 0.00000 0.00003 0.00000
|
|
117 12D-2 0.00000 -0.00939 0.00000 0.00043 0.00000
|
|
118 13D 0 0.00000 -0.01294 0.00000 0.02461 0.00000
|
|
119 13D+1 0.05980 0.00000 -0.07444 0.00000 0.01066
|
|
120 13D-1 -0.01061 0.00000 0.04313 0.00000 -0.03143
|
|
121 13D+2 0.00000 0.05501 0.00000 -0.02548 0.00000
|
|
122 13D-2 0.00000 0.06891 0.00000 0.02118 0.00000
|
|
123 14D 0 0.00000 -0.09893 0.00000 -0.59988 0.00000
|
|
124 14D+1 -0.33960 0.00000 0.45871 0.00000 -0.11915
|
|
125 14D-1 0.06442 0.00000 -0.20933 0.00000 0.13031
|
|
126 14D+2 0.00000 -0.20089 0.00000 0.70194 0.00000
|
|
127 14D-2 0.00000 -0.56665 0.00000 -0.54114 0.00000
|
|
128 15D 0 0.00000 0.23867 0.00000 -2.13723 0.00000
|
|
129 15D+1 -0.84291 0.00000 1.15700 0.00000 -0.59690
|
|
130 15D-1 -0.92973 0.00000 -0.00901 0.00000 -1.49166
|
|
131 15D+2 0.00000 -1.25908 0.00000 2.52542 0.00000
|
|
132 15D-2 0.00000 0.38498 0.00000 -2.29367 0.00000
|
|
133 16F 0 -0.00572 0.00000 -0.00532 0.00000 -0.00664
|
|
134 16F+1 0.00000 -0.00157 0.00000 0.01225 0.00000
|
|
135 16F-1 0.00000 0.00179 0.00000 0.00260 0.00000
|
|
136 16F+2 0.00113 0.00000 -0.00105 0.00000 -0.00130
|
|
137 16F-2 -0.00121 0.00000 0.00017 0.00000 0.00101
|
|
138 16F+3 0.00000 -0.00151 0.00000 -0.00361 0.00000
|
|
139 16F-3 0.00000 0.00493 0.00000 0.01026 0.00000
|
|
140 17F 0 0.02491 0.00000 0.01295 0.00000 0.02406
|
|
141 17F+1 0.00000 0.00014 0.00000 -0.09847 0.00000
|
|
142 17F-1 0.00000 -0.00443 0.00000 0.00718 0.00000
|
|
143 17F+2 -0.02266 0.00000 0.01482 0.00000 -0.00677
|
|
144 17F-2 0.01023 0.00000 -0.00877 0.00000 0.00586
|
|
145 17F+3 0.00000 0.01988 0.00000 0.04944 0.00000
|
|
146 17F-3 0.00000 -0.04997 0.00000 -0.10195 0.00000
|
|
147 18F 0 0.35539 0.00000 -0.43239 0.00000 0.21701
|
|
148 18F+1 0.00000 -0.03129 0.00000 -0.31542 0.00000
|
|
149 18F-1 0.00000 0.25725 0.00000 0.14459 0.00000
|
|
150 18F+2 -0.02282 0.00000 0.38591 0.00000 -0.07755
|
|
151 18F-2 0.19224 0.00000 -0.24065 0.00000 0.13645
|
|
152 18F+3 0.00000 -0.89117 0.00000 0.35384 0.00000
|
|
153 18F-3 0.00000 -0.24029 0.00000 -0.40340 0.00000
|
|
154 19G 0 0.00000 0.00234 0.00000 -0.00111 0.00000
|
|
155 19G+1 -0.00167 0.00000 0.00209 0.00000 -0.00339
|
|
156 19G-1 -0.00415 0.00000 0.00034 0.00000 -0.00737
|
|
157 19G+2 0.00000 0.00013 0.00000 -0.00337 0.00000
|
|
158 19G-2 0.00000 0.00272 0.00000 0.00129 0.00000
|
|
159 19G+3 0.00076 0.00000 -0.00033 0.00000 0.00369
|
|
160 19G-3 -0.00747 0.00000 0.00021 0.00000 -0.00352
|
|
161 19G+4 0.00000 0.00643 0.00000 0.00262 0.00000
|
|
162 19G-4 0.00000 0.00417 0.00000 -0.00422 0.00000
|
|
163 20G 0 0.00000 -0.01380 0.00000 0.04578 0.00000
|
|
164 20G+1 0.03725 0.00000 -0.04899 0.00000 0.04574
|
|
165 20G-1 0.02624 0.00000 0.01012 0.00000 0.03775
|
|
166 20G+2 0.00000 0.01003 0.00000 -0.02674 0.00000
|
|
167 20G-2 0.00000 0.00123 0.00000 0.02546 0.00000
|
|
168 20G+3 -0.02434 0.00000 0.02361 0.00000 -0.03775
|
|
169 20G-3 0.07046 0.00000 -0.02530 0.00000 0.04750
|
|
170 20G+4 0.00000 -0.09145 0.00000 0.01356 0.00000
|
|
171 20G-4 0.00000 -0.05470 0.00000 -0.05411 0.00000
|
|
172 21H 0 -0.00454 0.00000 0.00421 0.00000 -0.00742
|
|
173 21H+1 0.00000 -0.00082 0.00000 0.00207 0.00000
|
|
174 21H-1 0.00000 -0.00341 0.00000 0.00092 0.00000
|
|
175 21H+2 -0.00001 0.00000 -0.00355 0.00000 0.00147
|
|
176 21H-2 -0.00163 0.00000 0.00225 0.00000 -0.00380
|
|
177 21H+3 0.00000 0.00726 0.00000 -0.00265 0.00000
|
|
178 21H-3 0.00000 0.00040 0.00000 0.00188 0.00000
|
|
179 21H+4 -0.00512 0.00000 0.00229 0.00000 -0.00371
|
|
180 21H-4 0.00064 0.00000 -0.00383 0.00000 0.00441
|
|
181 21H+5 0.00000 -0.00455 0.00000 0.00233 0.00000
|
|
182 21H-5 0.00000 0.00083 0.00000 -0.00569 0.00000
|
|
183 3 H 1S 0.00000 -0.00662 0.00000 0.00054 0.00000
|
|
184 2S 0.00000 0.24186 0.00000 0.14271 0.00000
|
|
185 3S 0.00000 -2.91449 0.00000 -2.97209 0.00000
|
|
186 4S 0.00000 -3.63785 0.00000 -3.77914 0.00000
|
|
187 5S 0.00000 -0.35396 0.00000 -0.17021 0.00000
|
|
188 6PX 0.00000 0.00055 0.00000 -0.00885 0.00000
|
|
189 6PY 0.00000 0.00345 0.00000 -0.00208 0.00000
|
|
190 6PZ -0.00479 0.00000 0.00069 0.00000 -0.01548
|
|
191 7PX 0.00000 0.03629 0.00000 0.06682 0.00000
|
|
192 7PY 0.00000 -0.05134 0.00000 -0.00995 0.00000
|
|
193 7PZ 0.01797 0.00000 0.00354 0.00000 0.09537
|
|
194 8PX 0.00000 -1.28635 0.00000 -1.12697 0.00000
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195 8PY 0.00000 0.60714 0.00000 0.39742 0.00000
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196 8PZ -0.00073 0.00000 0.12590 0.00000 -0.48863
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197 9PX 0.00000 -1.02252 0.00000 -0.98579 0.00000
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198 9PY 0.00000 2.40381 0.00000 -0.20625 0.00000
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199 9PZ -0.84074 0.00000 -0.50641 0.00000 -2.12571
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200 10D 0 0.00000 0.00910 0.00000 -0.02557 0.00000
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201 10D+1 -0.00227 0.00000 -0.00781 0.00000 -0.01099
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202 10D-1 -0.02573 0.00000 -0.01741 0.00000 0.00110
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203 10D+2 0.00000 0.01613 0.00000 0.00398 0.00000
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204 10D-2 0.00000 -0.02337 0.00000 0.00481 0.00000
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205 11D 0 0.00000 -0.00194 0.00000 0.14895 0.00000
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206 11D+1 0.02740 0.00000 0.06097 0.00000 0.06578
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207 11D-1 0.11333 0.00000 0.07329 0.00000 0.00152
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208 11D+2 0.00000 -0.14531 0.00000 -0.05540 0.00000
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209 11D-2 0.00000 0.15082 0.00000 0.02000 0.00000
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210 12D 0 0.00000 0.83789 0.00000 -0.36803 0.00000
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211 12D+1 -0.06464 0.00000 -0.21245 0.00000 -1.04201
|
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212 12D-1 -0.67498 0.00000 -0.50855 0.00000 -0.04497
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213 12D+2 0.00000 0.14702 0.00000 -0.14247 0.00000
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214 12D-2 0.00000 0.37553 0.00000 0.55266 0.00000
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215 13F 0 0.00174 0.00000 0.00501 0.00000 -0.00927
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216 13F+1 0.00000 0.00143 0.00000 0.00424 0.00000
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217 13F-1 0.00000 0.00229 0.00000 -0.00465 0.00000
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218 13F+2 0.00439 0.00000 0.00699 0.00000 0.00366
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219 13F-2 0.00201 0.00000 -0.00113 0.00000 0.00845
|
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220 13F+3 0.00000 -0.00844 0.00000 -0.00434 0.00000
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221 13F-3 0.00000 0.00786 0.00000 0.00216 0.00000
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222 14F 0 -0.03595 0.00000 -0.04453 0.00000 0.09935
|
|
223 14F+1 0.00000 0.09311 0.00000 -0.01235 0.00000
|
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224 14F-1 0.00000 -0.07135 0.00000 0.00362 0.00000
|
|
225 14F+2 -0.02734 0.00000 -0.05305 0.00000 -0.09019
|
|
226 14F-2 -0.06148 0.00000 -0.03789 0.00000 -0.04328
|
|
227 14F+3 0.00000 0.05146 0.00000 0.02311 0.00000
|
|
228 14F-3 0.00000 0.04464 0.00000 0.08693 0.00000
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|
229 15G 0 0.00000 -0.00607 0.00000 0.00222 0.00000
|
|
230 15G+1 -0.00405 0.00000 -0.00142 0.00000 0.00539
|
|
231 15G-1 0.00215 0.00000 0.00308 0.00000 -0.00135
|
|
232 15G+2 0.00000 0.00309 0.00000 -0.00094 0.00000
|
|
233 15G-2 0.00000 -0.00658 0.00000 -0.00167 0.00000
|
|
234 15G+3 -0.00340 0.00000 -0.00582 0.00000 -0.00503
|
|
235 15G-3 -0.00418 0.00000 -0.00168 0.00000 0.00001
|
|
236 15G+4 0.00000 0.00227 0.00000 0.00331 0.00000
|
|
237 15G-4 0.00000 0.00168 0.00000 0.00730 0.00000
|
|
238 4 H 1S 0.00000 -0.00067 0.00000 -0.00479 0.00000
|
|
239 2S 0.00000 0.24490 0.00000 0.66782 0.00000
|
|
240 3S 0.00000 0.32776 0.00000 -11.79126 0.00000
|
|
241 4S 0.00000 -0.42199 0.00000 -12.82860 0.00000
|
|
242 5S 0.00000 -0.25928 0.00000 0.23351 0.00000
|
|
243 6PX 0.00000 0.00373 0.00000 -0.00588 0.00000
|
|
244 6PY 0.00000 -0.00956 0.00000 0.00061 0.00000
|
|
245 6PZ -0.00505 0.00000 0.01976 0.00000 -0.00265
|
|
246 7PX 0.00000 -0.08517 0.00000 -0.09828 0.00000
|
|
247 7PY 0.00000 0.00604 0.00000 0.03151 0.00000
|
|
248 7PZ -0.01934 0.00000 -0.03075 0.00000 -0.01286
|
|
249 8PX 0.00000 0.73963 0.00000 4.28954 0.00000
|
|
250 8PY 0.00000 0.54231 0.00000 -1.46111 0.00000
|
|
251 8PZ 0.41644 0.00000 -0.30992 0.00000 0.35866
|
|
252 9PX 0.00000 1.08996 0.00000 6.11138 0.00000
|
|
253 9PY 0.00000 1.89479 0.00000 -1.96957 0.00000
|
|
254 9PZ 1.40076 0.00000 -1.97046 0.00000 0.56007
|
|
255 10D 0 0.00000 0.02773 0.00000 -0.00641 0.00000
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|
256 10D+1 -0.02161 0.00000 0.01536 0.00000 0.02450
|
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257 10D-1 -0.01117 0.00000 0.00364 0.00000 0.01906
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258 10D+2 0.00000 0.00788 0.00000 0.01727 0.00000
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259 10D-2 0.00000 -0.02287 0.00000 -0.02863 0.00000
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260 11D 0 0.00000 -0.11167 0.00000 0.23530 0.00000
|
|
261 11D+1 0.05192 0.00000 -0.01904 0.00000 -0.16788
|
|
262 11D-1 0.05987 0.00000 -0.03081 0.00000 -0.07560
|
|
263 11D+2 0.00000 -0.11251 0.00000 -0.35782 0.00000
|
|
264 11D-2 0.00000 0.04564 0.00000 0.34487 0.00000
|
|
265 12D 0 0.00000 1.03069 0.00000 0.98995 0.00000
|
|
266 12D+1 -1.42771 0.00000 1.70645 0.00000 -0.07166
|
|
267 12D-1 0.15597 0.00000 -0.45537 0.00000 0.66779
|
|
268 12D+2 0.00000 -1.42261 0.00000 -1.32708 0.00000
|
|
269 12D-2 0.00000 -1.40443 0.00000 0.54401 0.00000
|
|
270 13F 0 0.00664 0.00000 -0.00506 0.00000 -0.00058
|
|
271 13F+1 0.00000 0.00555 0.00000 -0.02688 0.00000
|
|
272 13F-1 0.00000 -0.00014 0.00000 0.00935 0.00000
|
|
273 13F+2 0.00364 0.00000 0.00274 0.00000 0.00676
|
|
274 13F-2 0.00260 0.00000 -0.00518 0.00000 -0.00202
|
|
275 13F+3 0.00000 -0.00020 0.00000 0.01657 0.00000
|
|
276 13F-3 0.00000 -0.00135 0.00000 -0.02691 0.00000
|
|
277 14F 0 -0.16747 0.00000 0.18602 0.00000 -0.08743
|
|
278 14F+1 0.00000 -0.14925 0.00000 -0.14740 0.00000
|
|
279 14F-1 0.00000 -0.04316 0.00000 0.04269 0.00000
|
|
280 14F+2 0.12470 0.00000 -0.17243 0.00000 0.04463
|
|
281 14F-2 -0.10758 0.00000 0.15227 0.00000 -0.06925
|
|
282 14F+3 0.00000 0.31925 0.00000 0.14806 0.00000
|
|
283 14F-3 0.00000 0.10945 0.00000 -0.16046 0.00000
|
|
284 15G 0 0.00000 -0.00467 0.00000 -0.00853 0.00000
|
|
285 15G+1 0.01377 0.00000 -0.01552 0.00000 0.00652
|
|
286 15G-1 -0.00429 0.00000 0.00566 0.00000 -0.00324
|
|
287 15G+2 0.00000 0.00944 0.00000 0.01096 0.00000
|
|
288 15G-2 0.00000 0.00231 0.00000 -0.00597 0.00000
|
|
289 15G+3 -0.00848 0.00000 0.00698 0.00000 -0.00190
|
|
290 15G-3 0.01011 0.00000 -0.01088 0.00000 0.00732
|
|
291 15G+4 0.00000 -0.02521 0.00000 -0.00707 0.00000
|
|
292 15G-4 0.00000 -0.00046 0.00000 0.01390 0.00000
|
|
293 5 H 1S -0.01465 -0.00561 0.01062 -0.01376 -0.01576
|
|
294 2S 0.00090 0.07611 -0.23421 0.18628 0.07384
|
|
295 3S 0.34198 1.04638 4.09476 -1.68776 -1.50021
|
|
296 4S -4.72530 -1.30403 7.86338 -7.04012 -6.89201
|
|
297 5S 0.31597 0.09142 -0.32590 -0.06011 1.02572
|
|
298 6PX 0.00058 0.00278 -0.00473 -0.00957 0.00852
|
|
299 6PY -0.00725 -0.00602 -0.00190 -0.00239 -0.00548
|
|
300 6PZ 0.00149 0.00740 0.00863 0.00898 -0.00464
|
|
301 7PX -0.01086 -0.02179 0.03864 0.03214 -0.04897
|
|
302 7PY 0.02428 0.01687 0.01507 0.02721 0.04487
|
|
303 7PZ 0.00492 -0.04493 0.00524 -0.09031 0.01015
|
|
304 8PX -0.07026 0.07362 -0.97315 -0.01215 0.45848
|
|
305 8PY -0.09495 -0.13321 -0.64056 -0.08362 -0.11112
|
|
306 8PZ -0.18555 -0.14306 -1.21015 1.14818 0.30388
|
|
307 9PX 1.60297 -0.50326 -1.15299 1.38393 1.90423
|
|
308 9PY 1.09241 -0.11127 -1.80699 0.42267 -0.54165
|
|
309 9PZ 0.92961 1.23889 -3.54594 3.22657 2.07917
|
|
310 10D 0 -0.00363 -0.00994 0.00488 0.00929 0.00051
|
|
311 10D+1 0.00663 0.00649 0.00296 -0.00580 -0.00477
|
|
312 10D-1 0.00118 0.00443 -0.01953 0.00130 -0.00637
|
|
313 10D+2 -0.01857 -0.00525 -0.01808 0.00498 -0.01677
|
|
314 10D-2 -0.02315 -0.00988 -0.00836 0.01711 0.03328
|
|
315 11D 0 0.02185 0.07725 0.01242 -0.09457 -0.01652
|
|
316 11D+1 -0.00642 -0.03191 0.06245 -0.00623 0.00526
|
|
317 11D-1 -0.01602 -0.01591 0.13787 -0.02729 0.00179
|
|
318 11D+2 0.09531 0.01574 0.09631 -0.02622 0.08019
|
|
319 11D-2 0.10442 0.03878 0.07143 -0.07115 -0.17450
|
|
320 12D 0 0.23782 -0.25955 0.86591 -1.00366 -0.20282
|
|
321 12D+1 0.05425 -0.02200 0.87502 -0.71400 -0.51599
|
|
322 12D-1 -0.22608 0.11293 0.06484 0.14372 0.12602
|
|
323 12D+2 -0.39444 -0.11321 -0.32137 -0.17761 -0.79712
|
|
324 12D-2 -0.59347 -0.42983 0.10938 0.53953 0.83102
|
|
325 13F 0 0.00571 -0.00414 0.00674 -0.00329 -0.00207
|
|
326 13F+1 -0.00072 0.00013 -0.00187 0.00138 0.00179
|
|
327 13F-1 -0.00009 0.00134 0.00020 0.00664 0.00466
|
|
328 13F+2 -0.00227 -0.00033 -0.00048 -0.00291 -0.00661
|
|
329 13F-2 -0.00121 -0.00088 -0.00347 0.00029 0.00527
|
|
330 13F+3 -0.00128 0.00551 -0.00188 -0.00278 -0.00317
|
|
331 13F-3 0.00284 0.00184 -0.00290 -0.00217 0.00473
|
|
332 14F 0 -0.07572 0.01271 -0.08185 0.13838 0.02515
|
|
333 14F+1 -0.04796 0.00032 -0.11983 0.13684 0.02297
|
|
334 14F-1 0.03720 -0.02312 -0.03883 0.00755 -0.00990
|
|
335 14F+2 -0.00843 0.02686 -0.02687 0.08377 0.09417
|
|
336 14F-2 0.05083 0.05444 -0.02961 -0.02295 -0.03250
|
|
337 14F+3 0.00108 -0.04508 0.02255 0.06054 0.06235
|
|
338 14F-3 0.00775 0.02581 0.01651 -0.00615 -0.01471
|
|
339 15G 0 0.00187 -0.00225 0.00235 -0.00215 -0.00079
|
|
340 15G+1 0.00657 0.00253 0.00970 -0.01143 -0.00143
|
|
341 15G-1 -0.00080 0.00099 0.00153 -0.00432 -0.00343
|
|
342 15G+2 0.00377 -0.00154 0.00499 -0.00668 -0.00306
|
|
343 15G-2 -0.00367 -0.00342 0.00237 -0.00255 -0.00032
|
|
344 15G+3 0.00170 0.00108 -0.00039 -0.00629 -0.00644
|
|
345 15G-3 -0.00510 -0.00520 -0.00183 0.00028 -0.00092
|
|
346 15G+4 0.00114 0.00199 0.00068 -0.00386 -0.00312
|
|
347 15G-4 -0.00142 -0.00036 -0.00193 -0.00029 -0.00204
|
|
348 6 H 1S 0.01465 -0.00561 -0.01062 -0.01376 0.01576
|
|
349 2S -0.00090 0.07611 0.23421 0.18628 -0.07384
|
|
350 3S -0.34198 1.04638 -4.09476 -1.68776 1.50021
|
|
351 4S 4.72530 -1.30403 -7.86338 -7.04012 6.89201
|
|
352 5S -0.31597 0.09142 0.32590 -0.06011 -1.02572
|
|
353 6PX -0.00058 0.00278 0.00473 -0.00957 -0.00852
|
|
354 6PY 0.00725 -0.00602 0.00190 -0.00239 0.00548
|
|
355 6PZ 0.00149 -0.00740 0.00863 -0.00898 -0.00464
|
|
356 7PX 0.01086 -0.02179 -0.03864 0.03214 0.04897
|
|
357 7PY -0.02428 0.01687 -0.01507 0.02721 -0.04487
|
|
358 7PZ 0.00492 0.04493 0.00524 0.09031 0.01015
|
|
359 8PX 0.07026 0.07362 0.97315 -0.01215 -0.45848
|
|
360 8PY 0.09495 -0.13321 0.64056 -0.08362 0.11112
|
|
361 8PZ -0.18555 0.14306 -1.21015 -1.14818 0.30388
|
|
362 9PX -1.60297 -0.50326 1.15299 1.38393 -1.90423
|
|
363 9PY -1.09241 -0.11127 1.80699 0.42267 0.54165
|
|
364 9PZ 0.92961 -1.23889 -3.54594 -3.22657 2.07917
|
|
365 10D 0 0.00363 -0.00994 -0.00488 0.00929 -0.00051
|
|
366 10D+1 0.00663 -0.00649 0.00296 0.00580 -0.00477
|
|
367 10D-1 0.00118 -0.00443 -0.01953 -0.00130 -0.00637
|
|
368 10D+2 0.01857 -0.00525 0.01808 0.00498 0.01677
|
|
369 10D-2 0.02315 -0.00988 0.00836 0.01711 -0.03328
|
|
370 11D 0 -0.02185 0.07725 -0.01242 -0.09457 0.01652
|
|
371 11D+1 -0.00642 0.03191 0.06245 0.00623 0.00526
|
|
372 11D-1 -0.01602 0.01591 0.13787 0.02729 0.00179
|
|
373 11D+2 -0.09531 0.01574 -0.09631 -0.02622 -0.08019
|
|
374 11D-2 -0.10442 0.03878 -0.07143 -0.07115 0.17450
|
|
375 12D 0 -0.23782 -0.25955 -0.86591 -1.00366 0.20282
|
|
376 12D+1 0.05425 0.02200 0.87502 0.71400 -0.51599
|
|
377 12D-1 -0.22608 -0.11293 0.06484 -0.14372 0.12602
|
|
378 12D+2 0.39444 -0.11321 0.32137 -0.17761 0.79712
|
|
379 12D-2 0.59347 -0.42983 -0.10938 0.53953 -0.83102
|
|
380 13F 0 0.00571 0.00414 0.00674 0.00329 -0.00207
|
|
381 13F+1 0.00072 0.00013 0.00187 0.00138 -0.00179
|
|
382 13F-1 0.00009 0.00134 -0.00020 0.00664 -0.00466
|
|
383 13F+2 -0.00227 0.00033 -0.00048 0.00291 -0.00661
|
|
384 13F-2 -0.00121 0.00088 -0.00347 -0.00029 0.00527
|
|
385 13F+3 0.00128 0.00551 0.00188 -0.00278 0.00317
|
|
386 13F-3 -0.00284 0.00184 0.00290 -0.00217 -0.00473
|
|
387 14F 0 -0.07572 -0.01271 -0.08185 -0.13838 0.02515
|
|
388 14F+1 0.04796 0.00032 0.11983 0.13684 -0.02297
|
|
389 14F-1 -0.03720 -0.02312 0.03883 0.00755 0.00990
|
|
390 14F+2 -0.00843 -0.02686 -0.02687 -0.08377 0.09417
|
|
391 14F-2 0.05083 -0.05444 -0.02961 0.02295 -0.03250
|
|
392 14F+3 -0.00108 -0.04508 -0.02255 0.06054 -0.06235
|
|
393 14F-3 -0.00775 0.02581 -0.01651 -0.00615 0.01471
|
|
394 15G 0 -0.00187 -0.00225 -0.00235 -0.00215 0.00079
|
|
395 15G+1 0.00657 -0.00253 0.00970 0.01143 -0.00143
|
|
396 15G-1 -0.00080 -0.00099 0.00153 0.00432 -0.00343
|
|
397 15G+2 -0.00377 -0.00154 -0.00499 -0.00668 0.00306
|
|
398 15G-2 0.00367 -0.00342 -0.00237 -0.00255 0.00032
|
|
399 15G+3 0.00170 -0.00108 -0.00039 0.00629 -0.00644
|
|
400 15G-3 -0.00510 0.00520 -0.00183 -0.00028 -0.00092
|
|
401 15G+4 -0.00114 0.00199 -0.00068 -0.00386 0.00312
|
|
402 15G-4 0.00142 -0.00036 0.00193 -0.00029 0.00204
|
|
71 72 73 74 75
|
|
V V V V V
|
|
Eigenvalues -- 1.91536 1.97184 1.99604 2.00602 2.03339
|
|
1 1 C 1S 0.00709 -0.00767 0.00000 0.00005 -0.00156
|
|
2 2S -0.09648 0.03264 0.00000 -0.02645 0.01601
|
|
3 3S -0.43104 -0.00766 0.00000 -0.27607 0.02193
|
|
4 4S 0.71638 3.10278 0.00000 3.74921 1.48460
|
|
5 5S 9.28111 -15.90261 0.00000 -9.92068 -6.95695
|
|
6 6S 1.45930 -4.01144 0.00000 -2.00531 -3.17186
|
|
7 7PX 0.01522 0.03881 0.00000 -0.03312 0.05024
|
|
8 7PY 0.05571 -0.00737 0.00000 0.01067 -0.00193
|
|
9 7PZ 0.00000 0.00000 -0.04865 0.00000 0.00000
|
|
10 8PX -0.22622 -0.74335 0.00000 0.11417 -0.30167
|
|
11 8PY -0.10129 -0.03417 0.00000 -0.32814 0.29186
|
|
12 8PZ 0.00000 0.00000 0.47942 0.00000 0.00000
|
|
13 9PX 2.55358 10.71200 0.00000 -1.12450 2.72075
|
|
14 9PY 2.39795 0.23245 0.00000 2.94223 -2.13865
|
|
15 9PZ 0.00000 0.00000 -6.52429 0.00000 0.00000
|
|
16 10PX 4.47853 18.74217 0.00000 -2.82568 8.68310
|
|
17 10PY 8.42240 0.12705 0.00000 3.63220 -0.48599
|
|
18 10PZ 0.00000 0.00000 -10.08707 0.00000 0.00000
|
|
19 11PX 0.23205 -0.85328 0.00000 0.75202 -0.29322
|
|
20 11PY -0.51957 0.39997 0.00000 0.55784 -0.08803
|
|
21 11PZ 0.00000 0.00000 1.14201 0.00000 0.00000
|
|
22 12D 0 0.01236 -0.01525 0.00000 -0.00855 -0.00107
|
|
23 12D+1 0.00000 0.00000 -0.00098 0.00000 0.00000
|
|
24 12D-1 0.00000 0.00000 0.00320 0.00000 0.00000
|
|
25 12D+2 0.02521 0.00096 0.00000 -0.01225 0.01256
|
|
26 12D-2 -0.00240 -0.01033 0.00000 0.00744 -0.01332
|
|
27 13D 0 -0.14038 -0.04150 0.00000 0.03558 0.06590
|
|
28 13D+1 0.00000 0.00000 0.20370 0.00000 0.00000
|
|
29 13D-1 0.00000 0.00000 -0.06987 0.00000 0.00000
|
|
30 13D+2 -0.19647 0.08582 0.00000 0.00742 -0.08827
|
|
31 13D-2 0.04161 0.04336 0.00000 -0.04977 -0.08384
|
|
32 14D 0 4.33441 6.03764 0.00000 -0.20099 -1.46037
|
|
33 14D+1 0.00000 0.00000 -7.35509 0.00000 0.00000
|
|
34 14D-1 0.00000 0.00000 -1.69902 0.00000 0.00000
|
|
35 14D+2 3.53392 -5.40952 0.00000 1.45018 1.16644
|
|
36 14D-2 0.66686 3.20979 0.00000 0.22904 2.19333
|
|
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294 2S 0.27448 0.26953 -0.42774 0.01478 -0.03447
|
|
295 3S -4.52100 -3.36283 8.87451 2.74125 0.83265
|
|
296 4S -8.04180 -8.33788 10.75759 0.47050 -2.44149
|
|
297 5S 0.18026 1.00953 -1.19667 -0.42498 0.75375
|
|
298 6PX -0.00022 -0.00544 0.00822 0.00545 -0.00673
|
|
299 6PY -0.01298 0.00365 -0.00383 0.00233 -0.00639
|
|
300 6PZ -0.00208 0.00237 0.01137 0.00598 0.01044
|
|
301 7PX -0.01627 -0.04992 -0.05584 -0.02564 0.07442
|
|
302 7PY -0.01995 -0.02854 0.07896 -0.00780 0.04099
|
|
303 7PZ -0.00390 -0.03254 0.01463 -0.05131 -0.06856
|
|
304 8PX 0.73087 0.97193 -0.80491 -0.12686 -0.77011
|
|
305 8PY 0.97232 0.58334 -1.84774 -0.24603 -0.42283
|
|
306 8PZ 1.20238 1.03734 -2.58443 -0.42389 0.18624
|
|
307 9PX 1.56345 3.31557 -0.34966 -1.19558 -1.54564
|
|
308 9PY 3.82581 1.63863 -3.36824 -0.43305 -0.45418
|
|
309 9PZ 2.18741 1.91025 -4.28803 0.92004 1.59694
|
|
310 10D 0 0.00384 0.00209 -0.01301 -0.00603 -0.00989
|
|
311 10D+1 -0.00047 0.01226 -0.02039 0.00825 -0.00877
|
|
312 10D-1 0.01021 0.00026 -0.01148 -0.00004 0.01485
|
|
313 10D+2 0.00016 -0.00610 0.01153 -0.00031 0.01084
|
|
314 10D-2 0.01886 0.00311 -0.00079 -0.01349 -0.01205
|
|
315 11D 0 -0.06569 -0.03255 0.16510 0.07728 0.04375
|
|
316 11D+1 -0.05837 -0.10942 0.20579 -0.01258 0.07069
|
|
317 11D-1 -0.13265 -0.03639 0.19767 0.03003 -0.06862
|
|
318 11D+2 0.00225 0.02035 -0.06361 -0.00053 -0.04536
|
|
319 11D-2 -0.13849 -0.04635 0.06355 0.07376 0.08645
|
|
320 12D 0 0.44789 0.27137 0.85503 -0.59648 -1.34232
|
|
321 12D+1 -0.39844 -1.17171 -0.35865 0.17121 0.63100
|
|
322 12D-1 -1.45408 -0.43815 1.54223 -0.00840 0.33780
|
|
323 12D+2 0.66708 -0.77812 -0.71150 -0.06579 0.76459
|
|
324 12D-2 -0.49346 -0.62795 0.52216 -0.43136 0.22677
|
|
325 13F 0 0.00925 0.00450 0.00146 -0.00738 -0.00671
|
|
326 13F+1 0.00532 -0.00095 -0.00872 -0.00342 0.00028
|
|
327 13F-1 0.00199 0.00238 -0.00605 -0.00449 0.00337
|
|
328 13F+2 0.00814 -0.00134 -0.00519 0.00210 0.00685
|
|
329 13F-2 0.00129 -0.00033 -0.00638 -0.00200 -0.00256
|
|
330 13F+3 0.00383 -0.00328 -0.00227 0.00057 0.00076
|
|
331 13F-3 0.00548 -0.00205 -0.00018 -0.00366 0.00110
|
|
332 14F 0 -0.17726 -0.13333 -0.07375 0.07911 0.20072
|
|
333 14F+1 -0.03816 0.09425 0.01665 0.01732 -0.02744
|
|
334 14F-1 0.14514 -0.01751 -0.18691 0.02341 0.04469
|
|
335 14F+2 -0.16769 0.11991 0.19830 0.00005 -0.13436
|
|
336 14F-2 0.16380 0.11892 -0.06668 0.03291 -0.06824
|
|
337 14F+3 -0.10980 0.02205 0.08681 -0.01672 -0.00528
|
|
338 14F-3 -0.00660 0.08404 0.02279 0.04289 -0.07224
|
|
339 15G 0 0.01058 0.00827 0.00176 -0.00426 -0.01032
|
|
340 15G+1 0.00809 0.00168 0.00029 -0.00226 -0.00499
|
|
341 15G-1 -0.00270 0.00516 0.00809 -0.00181 -0.00728
|
|
342 15G+2 0.01055 -0.00979 -0.01367 -0.00140 0.00635
|
|
343 15G-2 -0.00900 -0.00519 0.00331 -0.00252 0.00178
|
|
344 15G+3 0.01047 -0.00177 -0.00757 0.00173 0.00189
|
|
345 15G-3 -0.00081 -0.00783 -0.00461 -0.00287 0.00670
|
|
346 15G+4 0.00286 0.00156 -0.00058 0.00197 -0.00235
|
|
347 15G-4 0.00172 -0.00341 -0.00316 -0.00021 0.00147
|
|
348 6 H 1S -0.01250 -0.01739 -0.00437 -0.00756 -0.01164
|
|
349 2S 0.27448 0.26953 0.42774 0.01478 -0.03447
|
|
350 3S -4.52100 -3.36283 -8.87451 2.74125 0.83265
|
|
351 4S -8.04180 -8.33788 -10.75759 0.47050 -2.44149
|
|
352 5S 0.18026 1.00953 1.19667 -0.42498 0.75375
|
|
353 6PX -0.00022 -0.00544 -0.00822 0.00545 -0.00673
|
|
354 6PY -0.01298 0.00365 0.00383 0.00233 -0.00639
|
|
355 6PZ 0.00208 -0.00237 0.01137 -0.00598 -0.01044
|
|
356 7PX -0.01627 -0.04992 0.05584 -0.02564 0.07442
|
|
357 7PY -0.01995 -0.02854 -0.07896 -0.00780 0.04099
|
|
358 7PZ 0.00390 0.03254 0.01463 0.05131 0.06856
|
|
359 8PX 0.73087 0.97193 0.80491 -0.12686 -0.77011
|
|
360 8PY 0.97232 0.58334 1.84774 -0.24603 -0.42283
|
|
361 8PZ -1.20238 -1.03734 -2.58443 0.42389 -0.18624
|
|
362 9PX 1.56345 3.31557 0.34966 -1.19558 -1.54564
|
|
363 9PY 3.82581 1.63863 3.36824 -0.43305 -0.45418
|
|
364 9PZ -2.18741 -1.91025 -4.28803 -0.92004 -1.59694
|
|
365 10D 0 0.00384 0.00209 0.01301 -0.00603 -0.00989
|
|
366 10D+1 0.00047 -0.01226 -0.02039 -0.00825 0.00877
|
|
367 10D-1 -0.01021 -0.00026 -0.01148 0.00004 -0.01485
|
|
368 10D+2 0.00016 -0.00610 -0.01153 -0.00031 0.01084
|
|
369 10D-2 0.01886 0.00311 0.00079 -0.01349 -0.01205
|
|
370 11D 0 -0.06569 -0.03255 -0.16510 0.07728 0.04375
|
|
371 11D+1 0.05837 0.10942 0.20579 0.01258 -0.07069
|
|
372 11D-1 0.13265 0.03639 0.19767 -0.03003 0.06862
|
|
373 11D+2 0.00225 0.02035 0.06361 -0.00053 -0.04536
|
|
374 11D-2 -0.13849 -0.04635 -0.06355 0.07376 0.08645
|
|
375 12D 0 0.44789 0.27137 -0.85503 -0.59648 -1.34232
|
|
376 12D+1 0.39844 1.17171 -0.35865 -0.17121 -0.63100
|
|
377 12D-1 1.45408 0.43815 1.54223 0.00840 -0.33780
|
|
378 12D+2 0.66708 -0.77812 0.71150 -0.06579 0.76459
|
|
379 12D-2 -0.49346 -0.62795 -0.52216 -0.43136 0.22677
|
|
380 13F 0 -0.00925 -0.00450 0.00146 0.00738 0.00671
|
|
381 13F+1 0.00532 -0.00095 0.00872 -0.00342 0.00028
|
|
382 13F-1 0.00199 0.00238 0.00605 -0.00449 0.00337
|
|
383 13F+2 -0.00814 0.00134 -0.00519 -0.00210 -0.00685
|
|
384 13F-2 -0.00129 0.00033 -0.00638 0.00200 0.00256
|
|
385 13F+3 0.00383 -0.00328 0.00227 0.00057 0.00076
|
|
386 13F-3 0.00548 -0.00205 0.00018 -0.00366 0.00110
|
|
387 14F 0 0.17726 0.13333 -0.07375 -0.07911 -0.20072
|
|
388 14F+1 -0.03816 0.09425 -0.01665 0.01732 -0.02744
|
|
389 14F-1 0.14514 -0.01751 0.18691 0.02341 0.04469
|
|
390 14F+2 0.16769 -0.11991 0.19830 -0.00005 0.13436
|
|
391 14F-2 -0.16380 -0.11892 -0.06668 -0.03291 0.06824
|
|
392 14F+3 -0.10980 0.02205 -0.08681 -0.01672 -0.00528
|
|
393 14F-3 -0.00660 0.08404 -0.02279 0.04289 -0.07224
|
|
394 15G 0 0.01058 0.00827 -0.00176 -0.00426 -0.01032
|
|
395 15G+1 -0.00809 -0.00168 0.00029 0.00226 0.00499
|
|
396 15G-1 0.00270 -0.00516 0.00809 0.00181 0.00728
|
|
397 15G+2 0.01055 -0.00979 0.01367 -0.00140 0.00635
|
|
398 15G-2 -0.00900 -0.00519 -0.00331 -0.00252 0.00178
|
|
399 15G+3 -0.01047 0.00177 -0.00757 -0.00173 -0.00189
|
|
400 15G-3 0.00081 0.00783 -0.00461 0.00287 -0.00670
|
|
401 15G+4 0.00286 0.00156 0.00058 0.00197 -0.00235
|
|
402 15G-4 0.00172 -0.00341 0.00316 -0.00021 0.00147
|
|
76 77 78 79 80
|
|
V V V V V
|
|
Eigenvalues -- 2.04879 2.07913 2.08960 2.15108 2.16522
|
|
1 1 C 1S 0.00000 0.03993 0.00000 0.00693 0.02159
|
|
2 2S 0.00000 -0.21682 0.00000 0.00680 -0.11149
|
|
3 3S 0.00000 -0.56296 0.00000 0.17893 -0.27514
|
|
4 4S 0.00000 -5.66740 0.00000 -2.31904 -2.97004
|
|
5 5S 0.00000 50.88550 0.00000 6.52650 23.98609
|
|
6 6S 0.00000 16.66912 0.00000 2.49150 10.67798
|
|
7 7PX 0.00000 -0.02490 0.00000 -0.12081 0.09067
|
|
8 7PY 0.00000 -0.03167 0.00000 -0.05065 -0.04564
|
|
9 7PZ 0.02134 0.00000 0.12811 0.00000 0.00000
|
|
10 8PX 0.00000 0.22828 0.00000 -0.11129 -0.31708
|
|
11 8PY 0.00000 -0.41738 0.00000 0.32455 -0.25025
|
|
12 8PZ -0.82828 0.00000 0.02337 0.00000 0.00000
|
|
13 9PX 0.00000 -2.43515 0.00000 5.18000 2.54937
|
|
14 9PY 0.00000 5.46902 0.00000 -2.75681 2.97821
|
|
15 9PZ 10.38773 0.00000 -4.12101 0.00000 0.00000
|
|
16 10PX 0.00000 -5.27619 0.00000 0.51287 10.50007
|
|
17 10PY 0.00000 6.84079 0.00000 -6.74669 -1.49514
|
|
18 10PZ 17.17143 0.00000 0.66150 0.00000 0.00000
|
|
19 11PX 0.00000 -0.05182 0.00000 0.87143 -0.05378
|
|
20 11PY 0.00000 0.91299 0.00000 -0.80133 -0.18161
|
|
21 11PZ -0.21259 0.00000 -1.00863 0.00000 0.00000
|
|
22 12D 0 0.00000 -0.01660 0.00000 -0.03471 -0.00670
|
|
23 12D+1 -0.02680 0.00000 0.03751 0.00000 0.00000
|
|
24 12D-1 -0.02692 0.00000 0.01906 0.00000 0.00000
|
|
25 12D+2 0.00000 -0.02747 0.00000 0.02421 -0.02641
|
|
26 12D-2 0.00000 -0.00561 0.00000 -0.02386 0.01528
|
|
27 13D 0 0.00000 0.05358 0.00000 0.20225 0.00039
|
|
28 13D+1 0.14700 0.00000 -0.18109 0.00000 0.00000
|
|
29 13D-1 0.06015 0.00000 -0.16844 0.00000 0.00000
|
|
30 13D+2 0.00000 0.12591 0.00000 -0.16099 0.13916
|
|
31 13D-2 0.00000 0.07006 0.00000 0.17079 -0.14061
|
|
32 14D 0 0.00000 0.81025 0.00000 1.62128 1.22854
|
|
33 14D+1 2.57763 0.00000 -2.32905 0.00000 0.00000
|
|
34 14D-1 3.91095 0.00000 -1.07873 0.00000 0.00000
|
|
35 14D+2 0.00000 1.73613 0.00000 -1.06683 0.20219
|
|
36 14D-2 0.00000 -1.11658 0.00000 0.67886 2.64855
|
|
37 15D 0 0.00000 1.23812 0.00000 -0.20984 0.11657
|
|
38 15D+1 4.45519 0.00000 -0.74766 0.00000 0.00000
|
|
39 15D-1 1.60719 0.00000 -1.33358 0.00000 0.00000
|
|
40 15D+2 0.00000 1.44788 0.00000 -2.11746 -1.59021
|
|
41 15D-2 0.00000 -0.59610 0.00000 1.30093 3.87216
|
|
42 16F 0 -0.00344 0.00000 0.00871 0.00000 0.00000
|
|
43 16F+1 0.00000 -0.04729 0.00000 -0.02555 -0.03184
|
|
44 16F-1 0.00000 -0.03007 0.00000 -0.01644 -0.02790
|
|
45 16F+2 0.00603 0.00000 0.00919 0.00000 0.00000
|
|
46 16F-2 -0.02401 0.00000 0.02000 0.00000 0.00000
|
|
47 16F+3 0.00000 0.01706 0.00000 0.00239 0.00963
|
|
48 16F-3 0.00000 -0.03193 0.00000 0.00316 -0.01136
|
|
49 17F 0 0.10813 0.00000 -0.08578 0.00000 0.00000
|
|
50 17F+1 0.00000 0.87038 0.00000 0.16232 0.52084
|
|
51 17F-1 0.00000 0.46492 0.00000 0.28335 0.36337
|
|
52 17F+2 0.01028 0.00000 -0.05173 0.00000 0.00000
|
|
53 17F-2 0.45801 0.00000 -0.35600 0.00000 0.00000
|
|
54 17F+3 0.00000 -0.34499 0.00000 0.07222 -0.14975
|
|
55 17F-3 0.00000 0.52262 0.00000 -0.13442 0.19558
|
|
56 18F 0 -0.23385 0.00000 -0.30297 0.00000 0.00000
|
|
57 18F+1 0.00000 2.08464 0.00000 0.98176 1.40809
|
|
58 18F-1 0.00000 1.41529 0.00000 -0.10400 1.20344
|
|
59 18F+2 -0.53396 0.00000 -0.63519 0.00000 0.00000
|
|
60 18F-2 1.16883 0.00000 0.57566 0.00000 0.00000
|
|
61 18F+3 0.00000 -0.99888 0.00000 0.05820 0.30853
|
|
62 18F-3 0.00000 1.73834 0.00000 0.65788 0.95163
|
|
63 19G 0 0.00000 0.00162 0.00000 -0.01520 -0.02437
|
|
64 19G+1 0.02498 0.00000 -0.00980 0.00000 0.00000
|
|
65 19G-1 0.01513 0.00000 -0.02197 0.00000 0.00000
|
|
66 19G+2 0.00000 -0.01610 0.00000 0.01244 -0.01587
|
|
67 19G-2 0.00000 0.02971 0.00000 0.00777 0.01138
|
|
68 19G+3 0.00291 0.00000 0.02268 0.00000 0.00000
|
|
69 19G-3 0.00895 0.00000 -0.01260 0.00000 0.00000
|
|
70 19G+4 0.00000 -0.00891 0.00000 0.00216 0.00441
|
|
71 19G-4 0.00000 -0.01223 0.00000 0.02356 -0.00709
|
|
72 20G 0 0.00000 0.13440 0.00000 0.29713 -0.04486
|
|
73 20G+1 0.33461 0.00000 0.17980 0.00000 0.00000
|
|
74 20G-1 0.27411 0.00000 0.21531 0.00000 0.00000
|
|
75 20G+2 0.00000 -0.12972 0.00000 0.05682 0.30615
|
|
76 20G-2 0.00000 0.41718 0.00000 -0.09383 0.36947
|
|
77 20G+3 -0.34922 0.00000 -0.27672 0.00000 0.00000
|
|
78 20G-3 0.15675 0.00000 0.10168 0.00000 0.00000
|
|
79 20G+4 0.00000 0.08881 0.00000 0.15694 -0.00952
|
|
80 20G-4 0.00000 -0.31065 0.00000 -0.12443 0.12666
|
|
81 21H 0 0.00277 0.00000 0.00488 0.00000 0.00000
|
|
82 21H+1 0.00000 -0.00071 0.00000 0.00305 0.00811
|
|
83 21H-1 0.00000 0.01650 0.00000 0.01098 -0.01556
|
|
84 21H+2 -0.02665 0.00000 -0.01114 0.00000 0.00000
|
|
85 21H-2 0.04502 0.00000 0.03609 0.00000 0.00000
|
|
86 21H+3 0.00000 -0.01298 0.00000 0.02976 -0.01617
|
|
87 21H-3 0.00000 -0.02140 0.00000 -0.02473 0.03730
|
|
88 21H+4 0.00466 0.00000 0.00782 0.00000 0.00000
|
|
89 21H-4 -0.02777 0.00000 -0.01804 0.00000 0.00000
|
|
90 21H+5 0.00000 0.01123 0.00000 -0.01476 -0.00472
|
|
91 21H-5 0.00000 0.02614 0.00000 0.01057 -0.03992
|
|
92 2 O 1S 0.00000 0.00872 0.00000 0.01715 0.02054
|
|
93 2S 0.00000 -0.00827 0.00000 -0.05161 -0.07771
|
|
94 3S 0.00000 0.01217 0.00000 -0.07439 -0.18862
|
|
95 4S 0.00000 0.96069 0.00000 -0.20815 0.40740
|
|
96 5S 0.00000 -9.26955 0.00000 3.29848 2.66366
|
|
97 6S 0.00000 -14.41099 0.00000 -3.29626 -3.67093
|
|
98 7PX 0.00000 0.00340 0.00000 -0.00953 0.01429
|
|
99 7PY 0.00000 -0.02083 0.00000 0.01035 -0.00452
|
|
100 7PZ 0.06606 0.00000 0.04682 0.00000 0.00000
|
|
101 8PX 0.00000 0.24946 0.00000 -0.13528 -0.12863
|
|
102 8PY 0.00000 -0.05291 0.00000 0.04331 0.07703
|
|
103 8PZ -0.02756 0.00000 -0.00649 0.00000 0.00000
|
|
104 9PX 0.00000 -1.86053 0.00000 0.77088 1.63471
|
|
105 9PY 0.00000 0.40162 0.00000 0.02652 -0.62535
|
|
106 9PZ 0.76460 0.00000 0.55310 0.00000 0.00000
|
|
107 10PX 0.00000 -7.24681 0.00000 5.33780 1.74594
|
|
108 10PY 0.00000 -1.05475 0.00000 -6.72308 -1.13017
|
|
109 10PZ -1.05887 0.00000 -2.34522 0.00000 0.00000
|
|
110 11PX 0.00000 -1.83021 0.00000 1.68939 0.93761
|
|
111 11PY 0.00000 -0.03252 0.00000 -2.24464 -1.17890
|
|
112 11PZ 0.35140 0.00000 -0.00525 0.00000 0.00000
|
|
113 12D 0 0.00000 0.00087 0.00000 0.00194 0.00809
|
|
114 12D+1 0.00376 0.00000 -0.00501 0.00000 0.00000
|
|
115 12D-1 -0.00271 0.00000 -0.00098 0.00000 0.00000
|
|
116 12D+2 0.00000 0.00147 0.00000 0.00577 0.00112
|
|
117 12D-2 0.00000 0.00013 0.00000 -0.00231 0.00328
|
|
118 13D 0 0.00000 -0.02093 0.00000 -0.00541 -0.04365
|
|
119 13D+1 -0.02227 0.00000 0.03150 0.00000 0.00000
|
|
120 13D-1 0.00892 0.00000 -0.00546 0.00000 0.00000
|
|
121 13D+2 0.00000 0.01343 0.00000 -0.04394 -0.02548
|
|
122 13D-2 0.00000 0.00212 0.00000 0.03271 -0.04068
|
|
123 14D 0 0.00000 0.55298 0.00000 -0.22469 -0.12585
|
|
124 14D+1 0.11840 0.00000 -0.14337 0.00000 0.00000
|
|
125 14D-1 -0.04558 0.00000 0.04376 0.00000 0.00000
|
|
126 14D+2 0.00000 -0.70407 0.00000 0.47300 0.66072
|
|
127 14D-2 0.00000 0.49991 0.00000 -0.41427 -0.17949
|
|
128 15D 0 0.00000 1.50709 0.00000 -0.09500 0.37345
|
|
129 15D+1 0.60903 0.00000 0.30185 0.00000 0.00000
|
|
130 15D-1 -0.91310 0.00000 -1.45059 0.00000 0.00000
|
|
131 15D+2 0.00000 -0.81922 0.00000 2.54889 0.33527
|
|
132 15D-2 0.00000 0.35060 0.00000 -0.35153 1.88681
|
|
133 16F 0 -0.00675 0.00000 0.00208 0.00000 0.00000
|
|
134 16F+1 0.00000 -0.00645 0.00000 -0.00181 0.00342
|
|
135 16F-1 0.00000 0.00236 0.00000 -0.00221 0.00058
|
|
136 16F+2 0.00423 0.00000 0.00226 0.00000 0.00000
|
|
137 16F-2 -0.00102 0.00000 -0.00447 0.00000 0.00000
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387 14F 0 -0.03433 0.04344 -0.06081 0.07581 -0.13064
|
|
388 14F+1 -0.15278 0.14196 0.11734 0.02593 0.05643
|
|
389 14F-1 -0.02679 0.06407 0.17044 0.05321 0.06426
|
|
390 14F+2 0.07964 -0.07127 0.01915 0.03101 0.03395
|
|
391 14F-2 0.14108 -0.10999 -0.07463 -0.11575 -0.02083
|
|
392 14F+3 0.00553 -0.00184 -0.01595 -0.06810 -0.00843
|
|
393 14F-3 -0.02622 0.06037 0.01928 0.04707 0.03165
|
|
394 15G 0 -0.00415 0.00743 0.00008 0.00770 -0.00593
|
|
395 15G+1 -0.00557 0.00676 0.00723 -0.00126 0.00674
|
|
396 15G-1 0.00040 0.00200 0.00967 -0.00137 0.00303
|
|
397 15G+2 0.00707 -0.00418 0.00162 0.00230 0.00094
|
|
398 15G-2 0.00860 -0.00976 -0.00777 -0.00525 -0.00321
|
|
399 15G+3 0.00273 -0.00115 -0.00159 -0.00422 -0.00441
|
|
400 15G-3 -0.00730 0.00599 0.00149 0.00383 0.00103
|
|
401 15G+4 -0.00112 0.00178 0.00234 0.00227 0.00341
|
|
402 15G-4 0.00122 -0.00096 0.00047 0.00007 -0.00003
|
|
81 82 83 84 85
|
|
V V V V V
|
|
Eigenvalues -- 2.21941 2.24213 2.24833 2.25905 2.29680
|
|
1 1 C 1S -0.00131 0.00426 0.00000 0.00000 -0.02387
|
|
2 2S -0.01114 -0.03905 0.00000 0.00000 0.02074
|
|
3 3S 0.03721 -0.12948 0.00000 0.00000 -0.24817
|
|
4 4S -2.96687 0.05302 0.00000 0.00000 3.28768
|
|
5 5S 9.97621 7.52564 0.00000 0.00000 -8.05752
|
|
6 6S 0.86057 6.35166 0.00000 0.00000 -4.77357
|
|
7 7PX 0.04650 -0.00815 0.00000 0.00000 -0.04618
|
|
8 7PY 0.09739 -0.07337 0.00000 0.00000 0.01577
|
|
9 7PZ 0.00000 0.00000 0.09588 0.04168 0.00000
|
|
10 8PX -0.82100 -0.89630 0.00000 0.00000 0.31889
|
|
11 8PY -0.73371 0.24208 0.00000 0.00000 -0.58288
|
|
12 8PZ 0.00000 0.00000 -1.33616 -0.61192 0.00000
|
|
13 9PX 10.19163 10.16639 0.00000 0.00000 -2.33742
|
|
14 9PY 5.86675 -1.73642 0.00000 0.00000 4.76448
|
|
15 9PZ 0.00000 0.00000 13.99204 6.76071 0.00000
|
|
16 10PX 15.06862 9.00054 0.00000 0.00000 -7.02976
|
|
17 10PY 12.09792 -6.28821 0.00000 0.00000 12.60942
|
|
18 10PZ 0.00000 0.00000 19.78562 8.23744 0.00000
|
|
19 11PX 0.29985 1.15480 0.00000 0.00000 -0.41222
|
|
20 11PY 0.26431 -0.18278 0.00000 0.00000 0.80345
|
|
21 11PZ 0.00000 0.00000 0.70328 0.29688 0.00000
|
|
22 12D 0 -0.01758 -0.03393 0.00000 0.00000 -0.00033
|
|
23 12D+1 0.00000 0.00000 -0.02153 -0.01252 0.00000
|
|
24 12D-1 0.00000 0.00000 -0.00242 -0.00756 0.00000
|
|
25 12D+2 0.03083 0.00866 0.00000 0.00000 0.00974
|
|
26 12D-2 -0.02328 -0.01457 0.00000 0.00000 0.00119
|
|
27 13D 0 0.08191 0.24487 0.00000 0.00000 0.03119
|
|
28 13D+1 0.00000 0.00000 0.08878 0.04891 0.00000
|
|
29 13D-1 0.00000 0.00000 -0.07024 -0.02631 0.00000
|
|
30 13D+2 -0.16495 0.04919 0.00000 0.00000 -0.09848
|
|
31 13D-2 0.09970 0.00686 0.00000 0.00000 0.00080
|
|
32 14D 0 2.56441 0.59997 0.00000 0.00000 0.38603
|
|
33 14D+1 0.00000 0.00000 3.10967 1.41457 0.00000
|
|
34 14D-1 0.00000 0.00000 5.66236 2.81275 0.00000
|
|
35 14D+2 -1.00778 -3.20534 0.00000 0.00000 3.08449
|
|
36 14D-2 2.25136 3.60828 0.00000 0.00000 -0.18186
|
|
37 15D 0 2.87698 -0.36561 0.00000 0.00000 0.51400
|
|
38 15D+1 0.00000 0.00000 1.20561 1.49505 0.00000
|
|
39 15D-1 0.00000 0.00000 6.91691 2.29607 0.00000
|
|
40 15D+2 -0.17286 -1.53432 0.00000 0.00000 3.61809
|
|
41 15D-2 3.28825 1.81973 0.00000 0.00000 1.78528
|
|
42 16F 0 0.00000 0.00000 -0.02016 -0.02036 0.00000
|
|
43 16F+1 -0.02312 0.01426 0.00000 0.00000 0.01719
|
|
44 16F-1 -0.01013 -0.00824 0.00000 0.00000 0.03188
|
|
45 16F+2 0.00000 0.00000 -0.03148 -0.00240 0.00000
|
|
46 16F-2 0.00000 0.00000 -0.01160 -0.00128 0.00000
|
|
47 16F+3 -0.02889 -0.01688 0.00000 0.00000 0.01476
|
|
48 16F-3 -0.03492 -0.01960 0.00000 0.00000 0.04505
|
|
49 17F 0 0.00000 0.00000 0.21030 0.21241 0.00000
|
|
50 17F+1 0.28007 -0.07008 0.00000 0.00000 -0.05788
|
|
51 17F-1 0.32371 0.31319 0.00000 0.00000 -0.25217
|
|
52 17F+2 0.00000 0.00000 0.30673 0.02550 0.00000
|
|
53 17F-2 0.00000 0.00000 0.41158 0.19494 0.00000
|
|
54 17F+3 0.36653 0.25430 0.00000 0.00000 -0.17965
|
|
55 17F-3 0.22323 0.02999 0.00000 0.00000 -0.32787
|
|
56 18F 0 0.00000 0.00000 1.45517 -0.16722 0.00000
|
|
57 18F+1 1.46994 -0.85395 0.00000 0.00000 -0.58370
|
|
58 18F-1 0.91464 1.13572 0.00000 0.00000 -0.16142
|
|
59 18F+2 0.00000 0.00000 1.08117 0.98247 0.00000
|
|
60 18F-2 0.00000 0.00000 0.90204 0.96560 0.00000
|
|
61 18F+3 -0.19968 1.01420 0.00000 0.00000 0.20525
|
|
62 18F-3 0.06593 -0.26860 0.00000 0.00000 0.19450
|
|
63 19G 0 -0.01831 -0.01000 0.00000 0.00000 -0.01119
|
|
64 19G+1 0.00000 0.00000 0.02475 0.01246 0.00000
|
|
65 19G-1 0.00000 0.00000 0.02219 0.01460 0.00000
|
|
66 19G+2 0.01635 0.02748 0.00000 0.00000 -0.01722
|
|
67 19G-2 0.01176 0.01725 0.00000 0.00000 0.00099
|
|
68 19G+3 0.00000 0.00000 -0.03119 0.00340 0.00000
|
|
69 19G-3 0.00000 0.00000 0.01716 0.00927 0.00000
|
|
70 19G+4 -0.00393 -0.00880 0.00000 0.00000 -0.01207
|
|
71 19G-4 0.01022 0.01485 0.00000 0.00000 0.00517
|
|
72 20G 0 -0.43166 -0.42449 0.00000 0.00000 0.08282
|
|
73 20G+1 0.00000 0.00000 0.79901 0.33132 0.00000
|
|
74 20G-1 0.00000 0.00000 0.43506 0.14760 0.00000
|
|
75 20G+2 0.09642 0.25276 0.00000 0.00000 -0.24643
|
|
76 20G-2 0.62606 -0.01917 0.00000 0.00000 -0.08136
|
|
77 20G+3 0.00000 0.00000 -0.13200 -0.25392 0.00000
|
|
78 20G-3 0.00000 0.00000 0.27462 0.07619 0.00000
|
|
79 20G+4 -0.57175 0.01485 0.00000 0.00000 -0.00245
|
|
80 20G-4 -0.03122 0.27029 0.00000 0.00000 -0.19870
|
|
81 21H 0 0.00000 0.00000 -0.01114 -0.00060 0.00000
|
|
82 21H+1 -0.02015 -0.03423 0.00000 0.00000 -0.01489
|
|
83 21H-1 -0.00797 -0.04922 0.00000 0.00000 0.01390
|
|
84 21H+2 0.00000 0.00000 -0.02944 -0.02571 0.00000
|
|
85 21H-2 0.00000 0.00000 0.09819 0.03939 0.00000
|
|
86 21H+3 -0.04229 -0.01472 0.00000 0.00000 0.00567
|
|
87 21H-3 0.04255 0.02924 0.00000 0.00000 -0.00551
|
|
88 21H+4 0.00000 0.00000 -0.00446 -0.01213 0.00000
|
|
89 21H-4 0.00000 0.00000 -0.02216 -0.02253 0.00000
|
|
90 21H+5 0.02899 -0.01703 0.00000 0.00000 -0.02129
|
|
91 21H-5 0.01309 -0.03944 0.00000 0.00000 0.02357
|
|
92 2 O 1S 0.01713 -0.00424 0.00000 0.00000 -0.02507
|
|
93 2S -0.02967 -0.01609 0.00000 0.00000 0.04495
|
|
94 3S 0.00875 -0.10420 0.00000 0.00000 0.00746
|
|
95 4S -0.35270 0.22257 0.00000 0.00000 -0.61017
|
|
96 5S 2.39465 1.60209 0.00000 0.00000 5.23438
|
|
97 6S 4.35562 -6.32555 0.00000 0.00000 13.89570
|
|
98 7PX -0.01228 -0.00534 0.00000 0.00000 -0.00926
|
|
99 7PY -0.02925 0.06303 0.00000 0.00000 -0.03029
|
|
100 7PZ 0.00000 0.00000 -0.03660 -0.03302 0.00000
|
|
101 8PX -0.03270 -0.06021 0.00000 0.00000 -0.19918
|
|
102 8PY -0.03458 0.08296 0.00000 0.00000 0.08624
|
|
103 8PZ 0.00000 0.00000 0.03996 0.01307 0.00000
|
|
104 9PX 0.60771 0.24474 0.00000 0.00000 1.57220
|
|
105 9PY -0.47992 0.68076 0.00000 0.00000 -1.67775
|
|
106 9PZ 0.00000 0.00000 -0.55747 -0.39042 0.00000
|
|
107 10PX -2.53003 4.09380 0.00000 0.00000 -0.36613
|
|
108 10PY 3.39218 -7.22161 0.00000 0.00000 10.67080
|
|
109 10PZ 0.00000 0.00000 3.07478 -1.48937 0.00000
|
|
110 11PX -0.25811 0.60250 0.00000 0.00000 0.40594
|
|
111 11PY 0.66521 -1.69511 0.00000 0.00000 1.74141
|
|
112 11PZ 0.00000 0.00000 -0.04121 0.00037 0.00000
|
|
113 12D 0 0.00067 -0.00096 0.00000 0.00000 -0.00925
|
|
114 12D+1 0.00000 0.00000 -0.00087 0.00054 0.00000
|
|
115 12D-1 0.00000 0.00000 -0.00533 -0.00149 0.00000
|
|
116 12D+2 -0.00510 0.00977 0.00000 0.00000 -0.01410
|
|
117 12D-2 -0.00106 -0.00383 0.00000 0.00000 0.00010
|
|
118 13D 0 0.00712 0.00924 0.00000 0.00000 0.06436
|
|
119 13D+1 0.00000 0.00000 -0.00879 0.03528 0.00000
|
|
120 13D-1 0.00000 0.00000 0.02340 -0.01108 0.00000
|
|
121 13D+2 0.05781 -0.06600 0.00000 0.00000 0.10228
|
|
122 13D-2 0.00738 0.03426 0.00000 0.00000 -0.01094
|
|
123 14D 0 -0.18049 -0.17275 0.00000 0.00000 -0.53417
|
|
124 14D+1 0.00000 0.00000 0.03426 -0.15994 0.00000
|
|
125 14D-1 0.00000 0.00000 -0.16593 0.00876 0.00000
|
|
126 14D+2 -0.08127 0.40446 0.00000 0.00000 0.24162
|
|
127 14D-2 -0.20156 -0.31131 0.00000 0.00000 -0.36365
|
|
128 15D 0 0.53236 0.89828 0.00000 0.00000 -0.63535
|
|
129 15D+1 0.00000 0.00000 0.52551 -1.61511 0.00000
|
|
130 15D-1 0.00000 0.00000 1.29634 1.17036 0.00000
|
|
131 15D+2 -2.50139 2.83919 0.00000 0.00000 -3.82497
|
|
132 15D-2 -0.11457 0.39433 0.00000 0.00000 1.55388
|
|
133 16F 0 0.00000 0.00000 0.01078 -0.00721 0.00000
|
|
134 16F+1 0.00376 0.00352 0.00000 0.00000 -0.00189
|
|
135 16F-1 0.00428 -0.01198 0.00000 0.00000 -0.00074
|
|
136 16F+2 0.00000 0.00000 -0.00289 0.00543 0.00000
|
|
137 16F-2 0.00000 0.00000 0.00149 -0.00157 0.00000
|
|
138 16F+3 -0.00185 -0.00069 0.00000 0.00000 -0.01001
|
|
139 16F-3 0.01048 0.00294 0.00000 0.00000 0.00380
|
|
140 17F 0 0.00000 0.00000 -0.03362 0.03021 0.00000
|
|
141 17F+1 -0.03547 -0.02665 0.00000 0.00000 -0.04139
|
|
142 17F-1 -0.01491 0.04280 0.00000 0.00000 0.02951
|
|
143 17F+2 0.00000 0.00000 0.02593 -0.01089 0.00000
|
|
144 17F-2 0.00000 0.00000 -0.00870 0.00143 0.00000
|
|
145 17F+3 0.02795 0.01785 0.00000 0.00000 0.09113
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|
146 17F-3 -0.05905 -0.04377 0.00000 0.00000 -0.04930
|
|
147 18F 0 0.00000 0.00000 0.04186 0.10343 0.00000
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|
148 18F+1 0.27723 -0.14774 0.00000 0.00000 -0.06254
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|
149 18F-1 -0.04121 0.15974 0.00000 0.00000 -0.56899
|
|
150 18F+2 0.00000 0.00000 -0.04182 -0.28389 0.00000
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|
151 18F-2 0.00000 0.00000 0.00762 0.21604 0.00000
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|
152 18F+3 -0.36304 -0.01077 0.00000 0.00000 -0.28221
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|
153 18F-3 -0.07743 0.17930 0.00000 0.00000 -0.56385
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|
154 19G 0 0.00305 0.00358 0.00000 0.00000 0.00258
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|
155 19G+1 0.00000 0.00000 0.00325 -0.00448 0.00000
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|
156 19G-1 0.00000 0.00000 0.00324 0.00406 0.00000
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|
157 19G+2 -0.00562 0.00404 0.00000 0.00000 -0.01229
|
|
158 19G-2 -0.00031 0.00013 0.00000 0.00000 0.00527
|
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159 19G+3 0.00000 0.00000 0.00097 0.00130 0.00000
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160 19G-3 0.00000 0.00000 0.00376 -0.00049 0.00000
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161 19G+4 0.00107 0.00739 0.00000 0.00000 -0.00794
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162 19G-4 -0.00163 0.00032 0.00000 0.00000 -0.00429
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163 20G 0 -0.00881 -0.01235 0.00000 0.00000 0.02300
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164 20G+1 0.00000 0.00000 -0.03015 0.04198 0.00000
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165 20G-1 0.00000 0.00000 -0.01234 -0.03097 0.00000
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166 20G+2 0.03974 -0.04578 0.00000 0.00000 0.05919
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167 20G-2 0.01572 0.01846 0.00000 0.00000 -0.01872
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168 20G+3 0.00000 0.00000 -0.00007 -0.01498 0.00000
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169 20G-3 0.00000 0.00000 -0.02853 0.01574 0.00000
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170 20G+4 -0.01822 -0.07166 0.00000 0.00000 0.10163
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171 20G-4 -0.00362 -0.03857 0.00000 0.00000 -0.01871
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172 21H 0 0.00000 0.00000 0.00215 0.00124 0.00000
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173 21H+1 -0.00140 0.00084 0.00000 0.00000 0.00265
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174 21H-1 -0.00004 -0.00238 0.00000 0.00000 0.00312
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175 21H+2 0.00000 0.00000 -0.00059 0.00100 0.00000
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176 21H-2 0.00000 0.00000 -0.00087 0.00050 0.00000
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177 21H+3 0.00081 0.00291 0.00000 0.00000 -0.00310
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178 21H-3 0.00216 0.00037 0.00000 0.00000 0.00483
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179 21H+4 0.00000 0.00000 0.00223 0.00253 0.00000
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180 21H-4 0.00000 0.00000 -0.00196 0.00104 0.00000
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181 21H+5 -0.00341 -0.00397 0.00000 0.00000 0.00652
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182 21H-5 0.00283 -0.00685 0.00000 0.00000 0.00376
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183 3 H 1S 0.03214 -0.00367 0.00000 0.00000 -0.00595
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184 2S -0.53954 -0.39956 0.00000 0.00000 0.13568
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185 3S 4.83825 9.26249 0.00000 0.00000 -3.44680
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186 4S 13.69152 9.02880 0.00000 0.00000 -5.98970
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187 5S -0.84497 0.14305 0.00000 0.00000 0.33151
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188 6PX 0.01335 0.00738 0.00000 0.00000 0.00802
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189 6PY 0.00013 0.00565 0.00000 0.00000 0.00184
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190 6PZ 0.00000 0.00000 -0.00069 -0.01479 0.00000
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191 7PX -0.15800 -0.12354 0.00000 0.00000 -0.02371
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192 7PY 0.07388 -0.00772 0.00000 0.00000 -0.01575
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193 7PZ 0.00000 0.00000 0.05622 0.09816 0.00000
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194 8PX 2.00828 3.93587 0.00000 0.00000 -1.02292
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195 8PY -1.25935 -0.84856 0.00000 0.00000 0.46095
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196 8PZ 0.00000 0.00000 -0.67735 -0.87245 0.00000
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197 9PX 5.22118 4.32321 0.00000 0.00000 -1.72942
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198 9PY -4.02307 -0.85841 0.00000 0.00000 0.98613
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199 9PZ 0.00000 0.00000 -4.27358 -0.90619 0.00000
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200 10D 0 0.00264 0.00338 0.00000 0.00000 -0.02068
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201 10D+1 0.00000 0.00000 -0.01515 0.01924 0.00000
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202 10D-1 0.00000 0.00000 -0.02355 0.02318 0.00000
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203 10D+2 -0.01317 -0.03996 0.00000 0.00000 0.00256
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204 10D-2 -0.00079 0.01407 0.00000 0.00000 0.00794
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205 11D 0 -0.04597 -0.12261 0.00000 0.00000 0.14449
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206 11D+1 0.00000 0.00000 0.03530 -0.13132 0.00000
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207 11D-1 0.00000 0.00000 0.13507 -0.10124 0.00000
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208 11D+2 0.07309 0.35159 0.00000 0.00000 -0.05762
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209 11D-2 -0.07949 -0.14964 0.00000 0.00000 0.01340
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210 12D 0 -0.97178 -1.01862 0.00000 0.00000 -0.32345
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211 12D+1 0.00000 0.00000 -2.51126 -0.50844 0.00000
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212 12D-1 0.00000 0.00000 0.02644 0.90901 0.00000
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213 12D+2 0.25873 0.88520 0.00000 0.00000 -0.25948
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214 12D-2 -2.71424 -0.62277 0.00000 0.00000 0.68373
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215 13F 0 0.00000 0.00000 -0.00764 0.00743 0.00000
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216 13F+1 -0.00375 -0.00553 0.00000 0.00000 0.00687
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217 13F-1 -0.00401 0.00272 0.00000 0.00000 -0.00031
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218 13F+2 0.00000 0.00000 0.01101 -0.00007 0.00000
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219 13F-2 0.00000 0.00000 -0.00483 -0.00198 0.00000
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220 13F+3 0.00654 0.00960 0.00000 0.00000 0.00088
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221 13F-3 0.00531 -0.00188 0.00000 0.00000 0.00436
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222 14F 0 0.00000 0.00000 0.24560 0.04224 0.00000
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223 14F+1 -0.07201 -0.11712 0.00000 0.00000 -0.02834
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224 14F-1 0.14435 0.02155 0.00000 0.00000 -0.03089
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225 14F+2 0.00000 0.00000 -0.28707 -0.07974 0.00000
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226 14F-2 0.00000 0.00000 0.15320 0.08676 0.00000
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227 14F+3 -0.16995 0.09101 0.00000 0.00000 0.02059
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228 14F-3 -0.36374 -0.12534 0.00000 0.00000 0.07050
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229 15G 0 0.00712 0.00421 0.00000 0.00000 -0.00025
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230 15G+1 0.00000 0.00000 0.01870 0.00425 0.00000
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231 15G-1 0.00000 0.00000 -0.00610 -0.00221 0.00000
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232 15G+2 -0.00029 -0.00394 0.00000 0.00000 -0.00286
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233 15G-2 0.01231 0.00133 0.00000 0.00000 -0.00258
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234 15G+3 0.00000 0.00000 -0.01459 -0.00158 0.00000
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235 15G-3 0.00000 0.00000 0.00911 0.00485 0.00000
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236 15G+4 -0.01819 0.00122 0.00000 0.00000 0.00514
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237 15G-4 -0.01930 -0.00738 0.00000 0.00000 0.00550
|
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238 4 H 1S -0.00136 0.00413 0.00000 0.00000 0.00435
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239 2S 0.20787 0.22908 0.00000 0.00000 0.81955
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240 3S 2.57083 -3.85576 0.00000 0.00000 -0.42413
|
|
241 4S 0.24547 -3.70841 0.00000 0.00000 1.48943
|
|
242 5S -0.06800 -0.40756 0.00000 0.00000 -0.05520
|
|
243 6PX 0.00004 -0.00371 0.00000 0.00000 -0.02994
|
|
244 6PY 0.02760 0.00237 0.00000 0.00000 -0.00267
|
|
245 6PZ 0.00000 0.00000 -0.02081 0.05091 0.00000
|
|
246 7PX -0.05522 -0.01089 0.00000 0.00000 0.03479
|
|
247 7PY -0.13087 -0.00331 0.00000 0.00000 0.06941
|
|
248 7PZ 0.00000 0.00000 0.10641 -0.26067 0.00000
|
|
249 8PX 0.04627 1.42714 0.00000 0.00000 0.71499
|
|
250 8PY 1.14233 -0.29073 0.00000 0.00000 -0.72114
|
|
251 8PZ 0.00000 0.00000 -0.68636 1.76454 0.00000
|
|
252 9PX 0.59023 1.56705 0.00000 0.00000 0.91748
|
|
253 9PY 0.49294 -1.60748 0.00000 0.00000 1.14815
|
|
254 9PZ 0.00000 0.00000 0.13035 1.27340 0.00000
|
|
255 10D 0 -0.00680 0.00477 0.00000 0.00000 -0.03309
|
|
256 10D+1 0.00000 0.00000 0.00490 -0.03816 0.00000
|
|
257 10D-1 0.00000 0.00000 0.01116 0.00660 0.00000
|
|
258 10D+2 0.01176 0.01675 0.00000 0.00000 -0.00716
|
|
259 10D-2 -0.00601 0.00668 0.00000 0.00000 -0.01306
|
|
260 11D 0 0.03781 0.05850 0.00000 0.00000 0.23963
|
|
261 11D+1 0.00000 0.00000 0.00033 0.15338 0.00000
|
|
262 11D-1 0.00000 0.00000 -0.05957 -0.02258 0.00000
|
|
263 11D+2 -0.09386 -0.21455 0.00000 0.00000 -0.06964
|
|
264 11D-2 0.00198 0.00788 0.00000 0.00000 0.17081
|
|
265 12D 0 0.28905 0.37547 0.00000 0.00000 0.39754
|
|
266 12D+1 0.00000 0.00000 0.34273 -2.03745 0.00000
|
|
267 12D-1 0.00000 0.00000 0.09823 0.51994 0.00000
|
|
268 12D+2 -0.89427 0.06503 0.00000 0.00000 -1.50766
|
|
269 12D-2 -0.19467 0.37558 0.00000 0.00000 0.79771
|
|
270 13F 0 0.00000 0.00000 0.00081 -0.00317 0.00000
|
|
271 13F+1 0.00487 -0.01027 0.00000 0.00000 -0.00396
|
|
272 13F-1 -0.00828 0.01239 0.00000 0.00000 0.00286
|
|
273 13F+2 0.00000 0.00000 -0.00779 0.00373 0.00000
|
|
274 13F-2 0.00000 0.00000 0.00289 -0.00553 0.00000
|
|
275 13F+3 0.00775 0.01659 0.00000 0.00000 -0.00266
|
|
276 13F-3 0.00943 -0.00668 0.00000 0.00000 -0.01032
|
|
277 14F 0 0.00000 0.00000 0.04707 -0.10541 0.00000
|
|
278 14F+1 -0.12739 -0.03799 0.00000 0.00000 -0.20240
|
|
279 14F-1 0.03978 -0.06102 0.00000 0.00000 0.07848
|
|
280 14F+2 0.00000 0.00000 -0.00797 0.10769 0.00000
|
|
281 14F-2 0.00000 0.00000 0.01847 -0.05617 0.00000
|
|
282 14F+3 0.14217 0.03467 0.00000 0.00000 0.17785
|
|
283 14F-3 -0.10337 0.00329 0.00000 0.00000 -0.23886
|
|
284 15G 0 -0.00437 -0.00202 0.00000 0.00000 -0.00777
|
|
285 15G+1 0.00000 0.00000 -0.00525 0.01361 0.00000
|
|
286 15G-1 0.00000 0.00000 0.00058 -0.00439 0.00000
|
|
287 15G+2 0.00658 0.00285 0.00000 0.00000 0.00923
|
|
288 15G-2 -0.00055 -0.00038 0.00000 0.00000 -0.00887
|
|
289 15G+3 0.00000 0.00000 0.00399 -0.00790 0.00000
|
|
290 15G-3 0.00000 0.00000 -0.00348 0.00882 0.00000
|
|
291 15G+4 -0.00961 -0.00678 0.00000 0.00000 -0.00476
|
|
292 15G-4 0.00643 0.00125 0.00000 0.00000 0.02082
|
|
293 5 H 1S -0.00897 -0.01680 -0.01129 -0.00468 -0.01020
|
|
294 2S 0.35083 0.45985 0.64396 0.30601 0.10384
|
|
295 3S -8.89890 -3.19797 -11.86941 -5.74149 0.70516
|
|
296 4S -11.20666 -6.30260 -16.66563 -7.40292 0.24872
|
|
297 5S 0.49840 -0.55240 0.52051 0.24910 0.10573
|
|
298 6PX -0.00273 0.00888 0.00340 -0.00934 0.00634
|
|
299 6PY -0.00432 -0.00278 0.00210 -0.00253 -0.00211
|
|
300 6PZ 0.00057 0.00273 -0.01530 0.00801 0.00053
|
|
301 7PX 0.00755 -0.05205 -0.08741 0.01382 -0.04191
|
|
302 7PY 0.01462 -0.00457 -0.05741 -0.00699 0.01268
|
|
303 7PZ -0.07000 -0.09918 0.00389 -0.08045 -0.02303
|
|
304 8PX 1.08072 0.48596 2.46011 0.80184 0.04285
|
|
305 8PY 0.90612 0.16948 2.18786 0.75742 -0.29443
|
|
306 8PZ 2.87237 1.41838 3.11686 2.01853 -0.34584
|
|
307 9PX 0.69894 -0.05611 4.77279 1.93890 0.68952
|
|
308 9PY 0.03098 1.66054 2.15922 1.26242 -1.64409
|
|
309 9PZ 4.79559 3.66876 4.59365 2.04356 0.62159
|
|
310 10D 0 0.00842 0.00958 0.01884 0.02679 -0.00746
|
|
311 10D+1 0.01528 0.01647 0.03387 0.00585 0.00509
|
|
312 10D-1 0.02512 -0.01810 0.01476 -0.00496 -0.00185
|
|
313 10D+2 0.01157 -0.01721 0.00158 -0.00905 -0.02828
|
|
314 10D-2 -0.00151 0.00064 0.00825 0.01428 -0.01238
|
|
315 11D 0 -0.16156 -0.10100 -0.19910 -0.18970 0.07561
|
|
316 11D+1 -0.19237 -0.09817 -0.34918 -0.11582 0.00267
|
|
317 11D-1 -0.22600 0.07725 -0.23436 -0.03311 0.03935
|
|
318 11D+2 -0.06280 0.08615 -0.00848 0.03437 0.14891
|
|
319 11D-2 -0.03823 0.00731 -0.13972 -0.10836 0.07430
|
|
320 12D 0 -1.63743 -1.49486 0.19782 0.24996 -0.45640
|
|
321 12D+1 -0.23224 -0.06704 -1.11780 -0.87329 -0.23258
|
|
322 12D-1 0.10524 -1.31460 -1.09451 -0.63849 0.16945
|
|
323 12D+2 0.28804 -0.20238 -0.47567 -0.39161 -1.15518
|
|
324 12D-2 0.22791 0.22640 -1.04946 -0.22896 -0.33044
|
|
325 13F 0 -0.00435 -0.00175 0.00176 0.00699 -0.00492
|
|
326 13F+1 0.01049 0.00420 0.01657 0.00726 -0.00325
|
|
327 13F-1 0.01084 -0.00486 0.01187 0.00614 -0.00655
|
|
328 13F+2 0.00119 0.00323 -0.00112 -0.00189 -0.00537
|
|
329 13F-2 0.01279 0.00100 0.01030 0.00141 -0.00291
|
|
330 13F+3 -0.00185 0.00108 -0.00580 -0.00114 -0.00033
|
|
331 13F-3 0.00743 0.00735 -0.00070 -0.00089 -0.00804
|
|
332 14F 0 0.21117 0.18096 -0.10922 -0.07707 0.03696
|
|
333 14F+1 0.08363 0.08099 0.05828 0.06273 0.03760
|
|
334 14F-1 0.06809 0.18769 0.05922 -0.01670 0.01807
|
|
335 14F+2 -0.01520 -0.06034 0.06842 0.07046 0.08988
|
|
336 14F-2 -0.05672 -0.02245 0.16260 0.10335 0.02046
|
|
337 14F+3 0.02617 0.01355 0.00924 -0.00938 0.02690
|
|
338 14F-3 -0.06854 -0.09396 0.07436 0.05109 0.07855
|
|
339 15G 0 -0.00900 -0.00471 0.00896 0.00608 -0.00066
|
|
340 15G+1 -0.00889 -0.00904 0.00213 0.00023 -0.00267
|
|
341 15G-1 -0.00860 -0.01546 -0.00072 0.00463 -0.00152
|
|
342 15G+2 0.00206 0.00440 -0.00175 -0.00480 -0.00461
|
|
343 15G-2 -0.00227 -0.00530 -0.00908 -0.00485 -0.00170
|
|
344 15G+3 -0.00209 0.00046 0.00138 0.00161 -0.00298
|
|
345 15G-3 0.00371 0.00516 -0.00639 -0.00685 -0.00595
|
|
346 15G+4 -0.00089 -0.00278 0.00026 0.00106 0.00007
|
|
347 15G-4 -0.00018 0.00115 -0.00093 -0.00137 -0.00269
|
|
348 6 H 1S -0.00897 -0.01680 0.01129 0.00468 -0.01020
|
|
349 2S 0.35083 0.45985 -0.64396 -0.30601 0.10384
|
|
350 3S -8.89890 -3.19797 11.86941 5.74149 0.70516
|
|
351 4S -11.20666 -6.30260 16.66563 7.40292 0.24872
|
|
352 5S 0.49840 -0.55240 -0.52051 -0.24910 0.10573
|
|
353 6PX -0.00273 0.00888 -0.00340 0.00934 0.00634
|
|
354 6PY -0.00432 -0.00278 -0.00210 0.00253 -0.00211
|
|
355 6PZ -0.00057 -0.00273 -0.01530 0.00801 -0.00053
|
|
356 7PX 0.00755 -0.05205 0.08741 -0.01382 -0.04191
|
|
357 7PY 0.01462 -0.00457 0.05741 0.00699 0.01268
|
|
358 7PZ 0.07000 0.09918 0.00389 -0.08045 0.02303
|
|
359 8PX 1.08072 0.48596 -2.46011 -0.80184 0.04285
|
|
360 8PY 0.90612 0.16948 -2.18786 -0.75742 -0.29443
|
|
361 8PZ -2.87237 -1.41838 3.11686 2.01853 0.34584
|
|
362 9PX 0.69894 -0.05611 -4.77279 -1.93890 0.68952
|
|
363 9PY 0.03098 1.66054 -2.15922 -1.26242 -1.64409
|
|
364 9PZ -4.79559 -3.66876 4.59365 2.04356 -0.62159
|
|
365 10D 0 0.00842 0.00958 -0.01884 -0.02679 -0.00746
|
|
366 10D+1 -0.01528 -0.01647 0.03387 0.00585 -0.00509
|
|
367 10D-1 -0.02512 0.01810 0.01476 -0.00496 0.00185
|
|
368 10D+2 0.01157 -0.01721 -0.00158 0.00905 -0.02828
|
|
369 10D-2 -0.00151 0.00064 -0.00825 -0.01428 -0.01238
|
|
370 11D 0 -0.16156 -0.10100 0.19910 0.18970 0.07561
|
|
371 11D+1 0.19237 0.09817 -0.34918 -0.11582 -0.00267
|
|
372 11D-1 0.22600 -0.07725 -0.23436 -0.03311 -0.03935
|
|
373 11D+2 -0.06280 0.08615 0.00848 -0.03437 0.14891
|
|
374 11D-2 -0.03823 0.00731 0.13972 0.10836 0.07430
|
|
375 12D 0 -1.63743 -1.49486 -0.19782 -0.24996 -0.45640
|
|
376 12D+1 0.23224 0.06704 -1.11780 -0.87329 0.23258
|
|
377 12D-1 -0.10524 1.31460 -1.09451 -0.63849 -0.16945
|
|
378 12D+2 0.28804 -0.20238 0.47567 0.39161 -1.15518
|
|
379 12D-2 0.22791 0.22640 1.04946 0.22896 -0.33044
|
|
380 13F 0 0.00435 0.00175 0.00176 0.00699 0.00492
|
|
381 13F+1 0.01049 0.00420 -0.01657 -0.00726 -0.00325
|
|
382 13F-1 0.01084 -0.00486 -0.01187 -0.00614 -0.00655
|
|
383 13F+2 -0.00119 -0.00323 -0.00112 -0.00189 0.00537
|
|
384 13F-2 -0.01279 -0.00100 0.01030 0.00141 0.00291
|
|
385 13F+3 -0.00185 0.00108 0.00580 0.00114 -0.00033
|
|
386 13F-3 0.00743 0.00735 0.00070 0.00089 -0.00804
|
|
387 14F 0 -0.21117 -0.18096 -0.10922 -0.07707 -0.03696
|
|
388 14F+1 0.08363 0.08099 -0.05828 -0.06273 0.03760
|
|
389 14F-1 0.06809 0.18769 -0.05922 0.01670 0.01807
|
|
390 14F+2 0.01520 0.06034 0.06842 0.07046 -0.08988
|
|
391 14F-2 0.05672 0.02245 0.16260 0.10335 -0.02046
|
|
392 14F+3 0.02617 0.01355 -0.00924 0.00938 0.02690
|
|
393 14F-3 -0.06854 -0.09396 -0.07436 -0.05109 0.07855
|
|
394 15G 0 -0.00900 -0.00471 -0.00896 -0.00608 -0.00066
|
|
395 15G+1 0.00889 0.00904 0.00213 0.00023 0.00267
|
|
396 15G-1 0.00860 0.01546 -0.00072 0.00463 0.00152
|
|
397 15G+2 0.00206 0.00440 0.00175 0.00480 -0.00461
|
|
398 15G-2 -0.00227 -0.00530 0.00908 0.00485 -0.00170
|
|
399 15G+3 0.00209 -0.00046 0.00138 0.00161 0.00298
|
|
400 15G-3 -0.00371 -0.00516 -0.00639 -0.00685 0.00595
|
|
401 15G+4 -0.00089 -0.00278 -0.00026 -0.00106 0.00007
|
|
402 15G-4 -0.00018 0.00115 0.00093 0.00137 -0.00269
|
|
86 87 88 89 90
|
|
V V V V V
|
|
Eigenvalues -- 2.32785 2.35940 2.41456 2.44746 2.46041
|
|
1 1 C 1S 0.00593 0.00000 0.00430 0.00000 -0.00799
|
|
2 2S -0.03136 0.00000 0.01285 0.00000 0.02890
|
|
3 3S 0.06951 0.00000 0.07501 0.00000 0.04184
|
|
4 4S -4.04324 0.00000 0.03559 0.00000 0.74669
|
|
5 5S 16.81454 0.00000 -4.17189 0.00000 -2.76121
|
|
6 6S 2.07039 0.00000 -1.61275 0.00000 -3.21516
|
|
7 7PX -0.05673 0.00000 -0.02453 0.00000 0.02302
|
|
8 7PY 0.06434 0.00000 -0.01669 0.00000 -0.03027
|
|
9 7PZ 0.00000 -0.03592 0.00000 -0.07331 0.00000
|
|
10 8PX -0.04198 0.00000 -0.85157 0.00000 -0.82599
|
|
11 8PY -0.13753 0.00000 -0.15136 0.00000 0.18605
|
|
12 8PZ 0.00000 -0.36380 0.00000 -0.73106 0.00000
|
|
13 9PX 0.82789 0.00000 9.04958 0.00000 7.34430
|
|
14 9PY 0.42554 0.00000 1.72994 0.00000 -2.42652
|
|
15 9PZ 0.00000 3.10451 0.00000 7.85404 0.00000
|
|
16 10PX -6.41039 0.00000 5.49482 0.00000 6.77116
|
|
17 10PY 5.28850 0.00000 -3.67463 0.00000 -0.58008
|
|
18 10PZ 0.00000 -1.50049 0.00000 1.16937 0.00000
|
|
19 11PX 0.08591 0.00000 0.62896 0.00000 0.29000
|
|
20 11PY 0.08319 0.00000 -0.02420 0.00000 0.05602
|
|
21 11PZ 0.00000 0.18481 0.00000 0.69981 0.00000
|
|
22 12D 0 -0.00205 0.00000 -0.03354 0.00000 -0.00293
|
|
23 12D+1 0.00000 -0.01103 0.00000 -0.03649 0.00000
|
|
24 12D-1 0.00000 0.01872 0.00000 -0.04456 0.00000
|
|
25 12D+2 0.02076 0.00000 0.00723 0.00000 0.00880
|
|
26 12D-2 0.01490 0.00000 -0.00601 0.00000 0.02085
|
|
27 13D 0 0.04776 0.00000 0.14675 0.00000 -0.01569
|
|
28 13D+1 0.00000 0.07456 0.00000 0.20497 0.00000
|
|
29 13D-1 0.00000 -0.18507 0.00000 0.18012 0.00000
|
|
30 13D+2 -0.02752 0.00000 -0.12573 0.00000 -0.01184
|
|
31 13D-2 -0.12476 0.00000 -0.06300 0.00000 -0.07438
|
|
32 14D 0 -0.96934 0.00000 2.07324 0.00000 2.34318
|
|
33 14D+1 0.00000 0.34507 0.00000 1.29705 0.00000
|
|
34 14D-1 0.00000 4.09467 0.00000 1.68395 0.00000
|
|
35 14D+2 -2.03499 0.00000 0.28522 0.00000 -2.02552
|
|
36 14D-2 2.09695 0.00000 4.20000 0.00000 2.61267
|
|
37 15D 0 -0.54301 0.00000 -0.82010 0.00000 1.99148
|
|
38 15D+1 0.00000 -1.37401 0.00000 -1.39579 0.00000
|
|
39 15D-1 0.00000 4.14993 0.00000 0.26496 0.00000
|
|
40 15D+2 0.65564 0.00000 -0.93336 0.00000 -1.55351
|
|
41 15D-2 3.00878 0.00000 3.75324 0.00000 5.05230
|
|
42 16F 0 0.00000 0.02699 0.00000 -0.03015 0.00000
|
|
43 16F+1 0.01072 0.00000 -0.01713 0.00000 0.00120
|
|
44 16F-1 -0.05166 0.00000 0.01089 0.00000 -0.00360
|
|
45 16F+2 0.00000 0.03015 0.00000 0.01849 0.00000
|
|
46 16F-2 0.00000 -0.02556 0.00000 0.01852 0.00000
|
|
47 16F+3 0.03133 0.00000 0.00815 0.00000 -0.02824
|
|
48 16F-3 -0.03370 0.00000 0.02663 0.00000 0.01335
|
|
49 17F 0 0.00000 -0.21945 0.00000 0.29823 0.00000
|
|
50 17F+1 -0.06599 0.00000 0.15254 0.00000 -0.07891
|
|
51 17F-1 0.53335 0.00000 0.12083 0.00000 0.16457
|
|
52 17F+2 0.00000 -0.26659 0.00000 -0.09000 0.00000
|
|
53 17F-2 0.00000 0.34466 0.00000 0.16288 0.00000
|
|
54 17F+3 -0.27784 0.00000 0.02925 0.00000 0.28004
|
|
55 17F-3 0.25796 0.00000 -0.38263 0.00000 -0.24418
|
|
56 18F 0 0.00000 1.75030 0.00000 0.26553 0.00000
|
|
57 18F+1 1.66688 0.00000 1.12947 0.00000 0.52883
|
|
58 18F-1 1.01296 0.00000 1.40518 0.00000 -0.13847
|
|
59 18F+2 0.00000 2.09159 0.00000 0.16128 0.00000
|
|
60 18F-2 0.00000 1.14888 0.00000 1.40683 0.00000
|
|
61 18F+3 1.29718 0.00000 2.36343 0.00000 3.04074
|
|
62 18F-3 -0.20337 0.00000 -0.72371 0.00000 0.11650
|
|
63 19G 0 -0.00035 0.00000 -0.02666 0.00000 -0.01912
|
|
64 19G+1 0.00000 0.00391 0.00000 0.03080 0.00000
|
|
65 19G-1 0.00000 0.02055 0.00000 0.02194 0.00000
|
|
66 19G+2 0.01360 0.00000 0.00110 0.00000 0.00118
|
|
67 19G-2 0.01132 0.00000 0.01319 0.00000 0.01600
|
|
68 19G+3 0.00000 -0.02223 0.00000 0.00336 0.00000
|
|
69 19G-3 0.00000 0.01567 0.00000 0.01620 0.00000
|
|
70 19G+4 0.01768 0.00000 -0.01410 0.00000 0.00002
|
|
71 19G-4 0.01896 0.00000 0.02686 0.00000 0.04003
|
|
72 20G 0 -0.22588 0.00000 -0.29057 0.00000 -0.12215
|
|
73 20G+1 0.00000 0.09976 0.00000 0.13512 0.00000
|
|
74 20G-1 0.00000 -0.06315 0.00000 0.12857 0.00000
|
|
75 20G+2 -0.42617 0.00000 0.39740 0.00000 0.49868
|
|
76 20G-2 0.28291 0.00000 0.03222 0.00000 -0.07649
|
|
77 20G+3 0.00000 -0.20342 0.00000 -0.22078 0.00000
|
|
78 20G-3 0.00000 -0.10707 0.00000 -0.06079 0.00000
|
|
79 20G+4 -0.13579 0.00000 0.04569 0.00000 -0.24059
|
|
80 20G-4 -0.35078 0.00000 0.14426 0.00000 0.13097
|
|
81 21H 0 0.00000 -0.02389 0.00000 0.01371 0.00000
|
|
82 21H+1 -0.04594 0.00000 -0.01652 0.00000 0.02543
|
|
83 21H-1 -0.01050 0.00000 -0.03607 0.00000 -0.00532
|
|
84 21H+2 0.00000 -0.06303 0.00000 -0.02256 0.00000
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339 15G 0 -0.00750 -0.00544 -0.00348 0.00760 -0.00409
|
|
340 15G+1 -0.00908 -0.01088 -0.00779 -0.00241 0.00017
|
|
341 15G-1 -0.00089 -0.00230 -0.01023 0.00281 -0.00075
|
|
342 15G+2 -0.01333 -0.01382 0.00607 -0.00657 0.00562
|
|
343 15G-2 0.00405 0.00237 -0.00165 -0.01084 -0.00167
|
|
344 15G+3 -0.01333 -0.01169 0.00228 0.00503 0.00505
|
|
345 15G-3 -0.00279 -0.00365 0.00594 -0.01218 0.00151
|
|
346 15G+4 -0.00189 -0.00147 -0.00108 0.00476 0.00147
|
|
347 15G-4 -0.00204 -0.00400 0.00114 -0.00261 0.00127
|
|
348 6 H 1S 0.00386 -0.01043 0.00851 0.00378 0.00128
|
|
349 2S 0.12302 -0.27897 0.26657 -0.52708 0.22392
|
|
350 3S -4.17853 3.94067 -4.16888 4.24870 -2.78566
|
|
351 4S -0.71110 0.05636 -1.76593 2.90400 -2.74792
|
|
352 5S -0.23287 0.50058 -0.19308 0.68274 0.20687
|
|
353 6PX 0.00196 0.01034 0.00401 -0.00061 -0.00820
|
|
354 6PY -0.00402 -0.00783 0.00990 0.00315 0.00353
|
|
355 6PZ 0.00569 -0.01326 0.00551 0.01124 0.01145
|
|
356 7PX -0.02015 -0.01942 -0.01218 0.05670 0.04428
|
|
357 7PY 0.04812 0.03282 -0.07492 0.02591 -0.04603
|
|
358 7PZ -0.00457 0.03257 0.02926 -0.13082 -0.03274
|
|
359 8PX 0.77070 -0.59258 0.44775 -1.04295 -0.08665
|
|
360 8PY -0.08699 -0.74775 1.20476 -0.56539 0.98204
|
|
361 8PZ -1.11586 0.93436 -1.45837 1.82538 -0.53809
|
|
362 9PX 0.94087 -1.22866 -0.93996 -2.34645 -0.54171
|
|
363 9PY -2.37387 1.98797 0.58247 -0.95195 0.70276
|
|
364 9PZ -1.00413 0.98230 -2.10051 1.97775 -1.24669
|
|
365 10D 0 0.01034 0.01693 0.02346 -0.01718 0.00448
|
|
366 10D+1 -0.00057 0.03144 -0.00172 0.01349 -0.01067
|
|
367 10D-1 -0.00713 0.01748 0.00194 0.01063 -0.01324
|
|
368 10D+2 -0.01376 0.03002 -0.01435 0.01453 -0.00202
|
|
369 10D-2 0.01079 0.00786 0.02795 0.00195 -0.00292
|
|
370 11D 0 -0.12522 -0.03795 -0.17543 0.10828 -0.05155
|
|
371 11D+1 0.07905 -0.23147 0.03777 -0.11600 0.08074
|
|
372 11D-1 0.05289 -0.12030 0.04730 -0.07307 0.12157
|
|
373 11D+2 0.04061 -0.14237 0.09469 -0.05869 0.03133
|
|
374 11D-2 -0.06405 -0.01572 -0.15617 0.00233 -0.00454
|
|
375 12D 0 -0.59525 1.03664 -0.70362 0.21481 -0.21548
|
|
376 12D+1 0.75889 -0.18295 -0.02155 -1.30406 -0.59913
|
|
377 12D-1 -1.11474 0.64684 1.26149 -0.66343 0.50465
|
|
378 12D+2 -1.06567 1.40884 0.20745 0.63627 0.54504
|
|
379 12D-2 0.75817 0.21000 0.72325 1.04382 -0.29078
|
|
380 13F 0 -0.00193 -0.00372 0.00232 0.00240 0.00224
|
|
381 13F+1 0.00177 -0.00141 0.00105 -0.00035 0.00558
|
|
382 13F-1 0.00877 -0.00083 -0.00586 -0.00114 -0.00233
|
|
383 13F+2 -0.00015 -0.00724 -0.00092 -0.00011 0.00182
|
|
384 13F-2 -0.00797 0.00603 -0.00515 -0.00553 -0.00377
|
|
385 13F+3 -0.00408 0.00136 -0.00316 -0.00370 0.00136
|
|
386 13F-3 0.00378 0.00512 -0.00264 0.00214 -0.00132
|
|
387 14F 0 -0.12184 0.10159 -0.13640 -0.06143 -0.04528
|
|
388 14F+1 0.14960 -0.14892 0.05490 -0.14137 -0.04636
|
|
389 14F-1 -0.10342 0.02754 0.19724 -0.03721 0.08333
|
|
390 14F+2 -0.17573 0.19596 0.11337 0.07469 0.08391
|
|
391 14F-2 0.11822 -0.04750 0.02151 0.19694 -0.02015
|
|
392 14F+3 0.11227 -0.06814 -0.00303 0.05280 -0.05190
|
|
393 14F-3 -0.01407 -0.06152 -0.03337 -0.08823 -0.00787
|
|
394 15G 0 -0.00750 0.00544 -0.00348 -0.00760 -0.00409
|
|
395 15G+1 0.00908 -0.01088 0.00779 -0.00241 -0.00017
|
|
396 15G-1 0.00089 -0.00230 0.01023 0.00281 0.00075
|
|
397 15G+2 -0.01333 0.01382 0.00607 0.00657 0.00562
|
|
398 15G-2 0.00405 -0.00237 -0.00165 0.01084 -0.00167
|
|
399 15G+3 0.01333 -0.01169 -0.00228 0.00503 -0.00505
|
|
400 15G-3 0.00279 -0.00365 -0.00594 -0.01218 -0.00151
|
|
401 15G+4 -0.00189 0.00147 -0.00108 -0.00476 0.00147
|
|
402 15G-4 -0.00204 0.00400 0.00114 0.00261 0.00127
|
|
91 92 93 94 95
|
|
V V V V V
|
|
Eigenvalues -- 2.49900 2.55718 2.62704 2.66722 2.66996
|
|
1 1 C 1S 0.00000 0.01530 0.00852 -0.00064 0.00000
|
|
2 2S 0.00000 0.05334 -0.04416 0.01252 0.00000
|
|
3 3S 0.00000 0.61498 -0.18766 0.06572 0.00000
|
|
4 4S 0.00000 -7.72046 1.34044 -0.97206 0.00000
|
|
5 5S 0.00000 17.15702 -0.94518 2.82662 0.00000
|
|
6 6S 0.00000 1.03843 2.07931 0.60877 0.00000
|
|
7 7PX 0.00000 -0.00236 -0.01632 -0.05921 0.00000
|
|
8 7PY 0.00000 0.04111 0.07490 0.02629 0.00000
|
|
9 7PZ -0.04259 0.00000 0.00000 0.00000 -0.07150
|
|
10 8PX 0.00000 -0.08424 -0.53778 -0.30268 0.00000
|
|
11 8PY 0.00000 0.31615 -0.21861 0.15251 0.00000
|
|
12 8PZ -0.41008 0.00000 0.00000 0.00000 -0.17148
|
|
13 9PX 0.00000 1.01179 5.59863 -0.37108 0.00000
|
|
14 9PY 0.00000 -2.20719 3.44092 -0.72134 0.00000
|
|
15 9PZ 4.95401 0.00000 0.00000 0.00000 -1.84348
|
|
16 10PX 0.00000 0.09112 3.10893 7.07901 0.00000
|
|
17 10PY 0.00000 -0.48182 5.17191 -2.15543 0.00000
|
|
18 10PZ 0.73741 0.00000 0.00000 0.00000 5.51951
|
|
19 11PX 0.00000 0.14549 0.44176 0.65189 0.00000
|
|
20 11PY 0.00000 -0.43233 -0.02827 -0.25701 0.00000
|
|
21 11PZ 0.44240 0.00000 0.00000 0.00000 0.19022
|
|
22 12D 0 0.00000 0.00283 -0.01487 0.01025 0.00000
|
|
23 12D+1 -0.02227 0.00000 0.00000 0.00000 0.01381
|
|
24 12D-1 -0.03494 0.00000 0.00000 0.00000 0.01576
|
|
25 12D+2 0.00000 0.01508 0.01356 -0.01120 0.00000
|
|
26 12D-2 0.00000 -0.00183 -0.01408 0.01535 0.00000
|
|
27 13D 0 0.00000 -0.03671 -0.00541 -0.05763 0.00000
|
|
28 13D+1 0.12290 0.00000 0.00000 0.00000 -0.03358
|
|
29 13D-1 0.13691 0.00000 0.00000 0.00000 -0.12192
|
|
30 13D+2 0.00000 -0.10797 -0.11462 0.04069 0.00000
|
|
31 13D-2 0.00000 0.00635 0.03214 -0.13506 0.00000
|
|
32 14D 0 0.00000 0.60755 2.49964 1.22242 0.00000
|
|
33 14D+1 0.85922 0.00000 0.00000 0.00000 1.16427
|
|
34 14D-1 0.76873 0.00000 0.00000 0.00000 2.17699
|
|
35 14D+2 0.00000 0.91889 -0.05935 -1.88615 0.00000
|
|
36 14D-2 0.00000 0.25092 1.52711 2.70578 0.00000
|
|
37 15D 0 0.00000 0.27628 0.66664 1.35777 0.00000
|
|
38 15D+1 -0.60041 0.00000 0.00000 0.00000 1.77154
|
|
39 15D-1 -0.31986 0.00000 0.00000 0.00000 2.51197
|
|
40 15D+2 0.00000 0.28441 0.34775 -2.34239 0.00000
|
|
41 15D-2 0.00000 0.46563 0.88425 2.14971 0.00000
|
|
42 16F 0 0.05638 0.00000 0.00000 0.00000 0.01491
|
|
43 16F+1 0.00000 -0.08618 -0.00553 0.00319 0.00000
|
|
44 16F-1 0.00000 -0.02742 0.01879 -0.04537 0.00000
|
|
45 16F+2 -0.05425 0.00000 0.00000 0.00000 0.01952
|
|
46 16F-2 0.00395 0.00000 0.00000 0.00000 -0.04551
|
|
47 16F+3 0.00000 0.02798 -0.00781 0.01621 0.00000
|
|
48 16F-3 0.00000 -0.02903 0.01691 0.02785 0.00000
|
|
49 17F 0 -0.38233 0.00000 0.00000 0.00000 -0.11461
|
|
50 17F+1 0.00000 0.55719 0.10077 -0.06041 0.00000
|
|
51 17F-1 0.00000 0.20108 0.07278 0.40420 0.00000
|
|
52 17F+2 0.43602 0.00000 0.00000 0.00000 -0.15994
|
|
53 17F-2 0.15897 0.00000 0.00000 0.00000 0.37630
|
|
54 17F+3 0.00000 -0.17281 0.10768 -0.09866 0.00000
|
|
55 17F-3 0.00000 0.17891 -0.19929 -0.26481 0.00000
|
|
56 18F 0 -0.60987 0.00000 0.00000 0.00000 -1.83750
|
|
57 18F+1 0.00000 0.52200 -0.17161 -0.75963 0.00000
|
|
58 18F-1 0.00000 1.81622 0.91675 1.99594 0.00000
|
|
59 18F+2 0.10077 0.00000 0.00000 0.00000 -2.26966
|
|
60 18F-2 0.86311 0.00000 0.00000 0.00000 1.64884
|
|
61 18F+3 0.00000 -0.05433 0.72099 -2.17871 0.00000
|
|
62 18F-3 0.00000 2.67408 -0.48454 -1.26451 0.00000
|
|
63 19G 0 0.00000 0.00281 -0.00266 -0.00231 0.00000
|
|
64 19G+1 0.02054 0.00000 0.00000 0.00000 0.02444
|
|
65 19G-1 0.01431 0.00000 0.00000 0.00000 0.00798
|
|
66 19G+2 0.00000 0.00455 0.01192 0.02714 0.00000
|
|
67 19G-2 0.00000 -0.00317 0.00740 -0.00011 0.00000
|
|
68 19G+3 0.00829 0.00000 0.00000 0.00000 0.00542
|
|
69 19G-3 0.00895 0.00000 0.00000 0.00000 0.00277
|
|
70 19G+4 0.00000 0.00638 -0.02088 -0.01779 0.00000
|
|
71 19G-4 0.00000 0.00841 0.01896 0.00582 0.00000
|
|
72 20G 0 0.00000 0.05216 -0.25089 -0.10311 0.00000
|
|
73 20G+1 0.05372 0.00000 0.00000 0.00000 -0.47297
|
|
74 20G-1 -0.18227 0.00000 0.00000 0.00000 -0.03733
|
|
75 20G+2 0.00000 0.15909 -0.03051 -0.41543 0.00000
|
|
76 20G-2 0.00000 0.31862 0.10284 0.01288 0.00000
|
|
77 20G+3 -0.21613 0.00000 0.00000 0.00000 -0.31190
|
|
78 20G-3 0.21295 0.00000 0.00000 0.00000 -0.00159
|
|
79 20G+4 0.00000 0.15781 -0.01449 0.38760 0.00000
|
|
80 20G-4 0.00000 -0.09623 0.07464 0.18863 0.00000
|
|
81 21H 0 0.00602 0.00000 0.00000 0.00000 -0.04654
|
|
82 21H+1 0.00000 0.00757 -0.00107 0.00804 0.00000
|
|
83 21H-1 0.00000 0.00825 0.00669 0.00116 0.00000
|
|
84 21H+2 -0.01291 0.00000 0.00000 0.00000 -0.03185
|
|
85 21H-2 -0.00394 0.00000 0.00000 0.00000 0.00526
|
|
86 21H+3 0.00000 0.01596 -0.00969 -0.04018 0.00000
|
|
87 21H-3 0.00000 0.01906 0.02043 0.00204 0.00000
|
|
88 21H+4 0.00090 0.00000 0.00000 0.00000 -0.04266
|
|
89 21H-4 -0.00970 0.00000 0.00000 0.00000 -0.00258
|
|
90 21H+5 0.00000 -0.01341 -0.00152 -0.04895 0.00000
|
|
91 21H-5 0.00000 0.01348 -0.00193 -0.04070 0.00000
|
|
92 2 O 1S 0.00000 0.01708 -0.02216 0.00115 0.00000
|
|
93 2S 0.00000 -0.03497 0.05259 -0.01855 0.00000
|
|
94 3S 0.00000 -0.03118 0.01605 -0.06490 0.00000
|
|
95 4S 0.00000 0.30163 0.26456 0.25194 0.00000
|
|
96 5S 0.00000 -2.57386 1.45614 -0.99329 0.00000
|
|
97 6S 0.00000 -4.42438 7.59497 -4.22991 0.00000
|
|
98 7PX 0.00000 -0.00852 0.04387 0.01749 0.00000
|
|
99 7PY 0.00000 -0.00103 -0.03531 0.00108 0.00000
|
|
100 7PZ -0.00986 0.00000 0.00000 0.00000 0.01246
|
|
101 8PX 0.00000 0.02169 0.12505 0.02383 0.00000
|
|
102 8PY 0.00000 0.05858 -0.09276 -0.01353 0.00000
|
|
103 8PZ 0.00203 0.00000 0.00000 0.00000 0.01612
|
|
104 9PX 0.00000 -0.14158 0.40395 -0.00247 0.00000
|
|
105 9PY 0.00000 -0.11663 -0.53745 0.22447 0.00000
|
|
106 9PZ -0.08873 0.00000 0.00000 0.00000 0.06477
|
|
107 10PX 0.00000 0.50153 -0.07895 -0.50022 0.00000
|
|
108 10PY 0.00000 -3.80786 7.52781 -1.64190 0.00000
|
|
109 10PZ -1.64794 0.00000 0.00000 0.00000 -0.58911
|
|
110 11PX 0.00000 0.11575 1.66152 -0.30643 0.00000
|
|
111 11PY 0.00000 -0.76501 0.26002 -0.47898 0.00000
|
|
112 11PZ -0.31420 0.00000 0.00000 0.00000 0.25161
|
|
113 12D 0 0.00000 0.00839 0.00695 -0.00337 0.00000
|
|
114 12D+1 -0.00213 0.00000 0.00000 0.00000 -0.00247
|
|
115 12D-1 0.00394 0.00000 0.00000 0.00000 -0.01375
|
|
116 12D+2 0.00000 0.00709 -0.01684 0.00225 0.00000
|
|
117 12D-2 0.00000 0.00305 0.00538 -0.00981 0.00000
|
|
118 13D 0 0.00000 -0.03849 -0.00997 0.00535 0.00000
|
|
119 13D+1 0.03609 0.00000 0.00000 0.00000 -0.00513
|
|
120 13D-1 -0.02632 0.00000 0.00000 0.00000 0.03764
|
|
121 13D+2 0.00000 -0.03893 0.03764 -0.04474 0.00000
|
|
122 13D-2 0.00000 -0.01497 -0.05533 0.01440 0.00000
|
|
123 14D 0 0.00000 0.19723 0.25105 -0.06518 0.00000
|
|
124 14D+1 -0.17608 0.00000 0.00000 0.00000 0.03281
|
|
125 14D-1 0.13069 0.00000 0.00000 0.00000 -0.30189
|
|
126 14D+2 0.00000 0.22163 -0.38091 0.15916 0.00000
|
|
127 14D-2 0.00000 0.08736 0.45971 -0.13559 0.00000
|
|
128 15D 0 0.00000 0.63064 -0.19329 0.39578 0.00000
|
|
129 15D+1 -0.65280 0.00000 0.00000 0.00000 0.47050
|
|
130 15D-1 -0.35489 0.00000 0.00000 0.00000 -0.56010
|
|
131 15D+2 0.00000 1.62743 -1.11686 1.05717 0.00000
|
|
132 15D-2 0.00000 0.15434 2.96163 0.13307 0.00000
|
|
133 16F 0 -0.00457 0.00000 0.00000 0.00000 0.00241
|
|
134 16F+1 0.00000 0.00383 -0.01284 -0.00266 0.00000
|
|
135 16F-1 0.00000 0.00313 0.01062 -0.00106 0.00000
|
|
136 16F+2 -0.00245 0.00000 0.00000 0.00000 0.00034
|
|
137 16F-2 -0.00180 0.00000 0.00000 0.00000 -0.00298
|
|
138 16F+3 0.00000 0.00045 -0.00079 -0.00234 0.00000
|
|
139 16F-3 0.00000 0.00207 -0.01144 -0.00155 0.00000
|
|
140 17F 0 0.01863 0.00000 0.00000 0.00000 -0.00772
|
|
141 17F+1 0.00000 -0.01671 0.07720 0.01158 0.00000
|
|
142 17F-1 0.00000 -0.01505 -0.04783 0.00063 0.00000
|
|
143 17F+2 0.00720 0.00000 0.00000 0.00000 0.00854
|
|
144 17F-2 0.00941 0.00000 0.00000 0.00000 0.00932
|
|
145 17F+3 0.00000 -0.00176 -0.00953 0.02838 0.00000
|
|
146 17F-3 0.00000 -0.01055 0.07697 0.00284 0.00000
|
|
147 18F 0 0.13881 0.00000 0.00000 0.00000 -0.09265
|
|
148 18F+1 0.00000 0.10717 0.05796 -0.20215 0.00000
|
|
149 18F-1 0.00000 0.25535 -0.37101 0.00692 0.00000
|
|
150 18F+2 -0.30637 0.00000 0.00000 0.00000 0.19951
|
|
151 18F-2 0.10071 0.00000 0.00000 0.00000 -0.20201
|
|
152 18F+3 0.00000 0.10725 0.32717 0.38955 0.00000
|
|
153 18F-3 0.00000 0.40214 0.50758 0.36807 0.00000
|
|
154 19G 0 0.00000 0.00202 -0.00432 -0.00127 0.00000
|
|
155 19G+1 -0.00243 0.00000 0.00000 0.00000 0.00005
|
|
156 19G-1 -0.00143 0.00000 0.00000 0.00000 0.00442
|
|
157 19G+2 0.00000 0.00282 0.00012 0.00207 0.00000
|
|
158 19G-2 0.00000 -0.00069 0.00158 0.00367 0.00000
|
|
159 19G+3 0.00174 0.00000 0.00000 0.00000 -0.00397
|
|
160 19G-3 -0.00178 0.00000 0.00000 0.00000 0.00360
|
|
161 19G+4 0.00000 0.00200 -0.00992 0.00096 0.00000
|
|
162 19G-4 0.00000 -0.00084 -0.00481 -0.00109 0.00000
|
|
163 20G 0 0.00000 -0.02092 -0.00998 0.01559 0.00000
|
|
164 20G+1 0.03576 0.00000 0.00000 0.00000 -0.01829
|
|
165 20G-1 -0.00129 0.00000 0.00000 0.00000 -0.02086
|
|
166 20G+2 0.00000 -0.02607 0.04532 -0.03371 0.00000
|
|
167 20G-2 0.00000 -0.00077 -0.06954 -0.02556 0.00000
|
|
168 20G+3 -0.01704 0.00000 0.00000 0.00000 0.04118
|
|
169 20G-3 0.02648 0.00000 0.00000 0.00000 -0.03302
|
|
170 20G+4 0.00000 -0.01489 0.11528 0.02811 0.00000
|
|
171 20G-4 0.00000 0.00831 0.13402 0.01732 0.00000
|
|
172 21H 0 -0.00164 0.00000 0.00000 0.00000 0.00610
|
|
173 21H+1 0.00000 -0.00161 -0.00787 0.00396 0.00000
|
|
174 21H-1 0.00000 -0.00129 0.00793 0.00308 0.00000
|
|
175 21H+2 0.00235 0.00000 0.00000 0.00000 -0.00016
|
|
176 21H-2 -0.00167 0.00000 0.00000 0.00000 0.00448
|
|
177 21H+3 0.00000 -0.00094 0.00043 -0.00277 0.00000
|
|
178 21H-3 0.00000 -0.00218 -0.00970 -0.00033 0.00000
|
|
179 21H+4 -0.00014 0.00000 0.00000 0.00000 0.00565
|
|
180 21H-4 0.00478 0.00000 0.00000 0.00000 0.00036
|
|
181 21H+5 0.00000 0.00279 0.01431 0.01108 0.00000
|
|
182 21H-5 0.00000 -0.00187 0.01617 -0.00416 0.00000
|
|
183 3 H 1S 0.00000 0.01143 0.00068 -0.00677 0.00000
|
|
184 2S 0.00000 -0.33864 -0.37312 -0.52047 0.00000
|
|
185 3S 0.00000 -3.83806 4.75250 4.45037 0.00000
|
|
186 4S 0.00000 0.48229 2.40073 6.63009 0.00000
|
|
187 5S 0.00000 0.29425 0.37315 0.30094 0.00000
|
|
188 6PX 0.00000 -0.00878 0.00267 -0.03254 0.00000
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189 6PY 0.00000 -0.01586 -0.00269 0.05716 0.00000
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190 6PZ -0.00043 0.00000 0.00000 0.00000 0.03046
|
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191 7PX 0.00000 0.00262 -0.07264 0.11332 0.00000
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192 7PY 0.00000 0.08303 0.03562 -0.31946 0.00000
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|
193 7PZ 0.02206 0.00000 0.00000 0.00000 -0.16916
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|
194 8PX 0.00000 -1.45655 1.92527 0.92520 0.00000
|
|
195 8PY 0.00000 -0.04247 -0.53155 2.39345 0.00000
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|
196 8PZ -0.44531 0.00000 0.00000 0.00000 1.29916
|
|
197 9PX 0.00000 1.26298 1.46311 2.43680 0.00000
|
|
198 9PY 0.00000 -0.07564 -1.34904 1.02370 0.00000
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|
199 9PZ -1.69838 0.00000 0.00000 0.00000 0.24300
|
|
200 10D 0 0.00000 -0.03237 0.01462 -0.00045 0.00000
|
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201 10D+1 -0.02130 0.00000 0.00000 0.00000 -0.00582
|
|
202 10D-1 0.00606 0.00000 0.00000 0.00000 -0.01743
|
|
203 10D+2 0.00000 0.00031 -0.01948 -0.03701 0.00000
|
|
204 10D-2 0.00000 0.00228 -0.00218 0.00225 0.00000
|
|
205 11D 0 0.00000 0.24386 -0.11490 -0.04888 0.00000
|
|
206 11D+1 0.07148 0.00000 0.00000 0.00000 0.06318
|
|
207 11D-1 -0.02741 0.00000 0.00000 0.00000 0.08763
|
|
208 11D+2 0.00000 -0.08841 0.17686 0.32516 0.00000
|
|
209 11D-2 0.00000 0.06131 -0.01813 -0.00380 0.00000
|
|
210 12D 0 0.00000 -1.39975 -0.42062 -0.19786 0.00000
|
|
211 12D+1 -1.65248 0.00000 0.00000 0.00000 0.60805
|
|
212 12D-1 0.75592 0.00000 0.00000 0.00000 -0.73690
|
|
213 12D+2 0.00000 0.52467 0.19000 0.41982 0.00000
|
|
214 12D-2 0.00000 -0.03064 -0.74935 1.80183 0.00000
|
|
215 13F 0 0.00027 0.00000 0.00000 0.00000 0.00748
|
|
216 13F+1 0.00000 0.01620 -0.00268 -0.00111 0.00000
|
|
217 13F-1 0.00000 -0.00749 -0.00270 0.00159 0.00000
|
|
218 13F+2 0.00210 0.00000 0.00000 0.00000 0.01479
|
|
219 13F-2 -0.00434 0.00000 0.00000 0.00000 -0.00714
|
|
220 13F+3 0.00000 -0.00740 0.00590 0.01522 0.00000
|
|
221 13F-3 0.00000 0.00363 -0.00660 0.00161 0.00000
|
|
222 14F 0 0.13828 0.00000 0.00000 0.00000 -0.12804
|
|
223 14F+1 0.00000 -0.14883 -0.07091 -0.02660 0.00000
|
|
224 14F-1 0.00000 0.04346 0.04837 -0.07739 0.00000
|
|
225 14F+2 -0.14713 0.00000 0.00000 0.00000 -0.00570
|
|
226 14F-2 0.16115 0.00000 0.00000 0.00000 -0.00382
|
|
227 14F+3 0.00000 0.10950 0.01481 0.15052 0.00000
|
|
228 14F-3 0.00000 0.02127 -0.02763 0.12968 0.00000
|
|
229 15G 0 0.00000 0.00743 0.00279 -0.00100 0.00000
|
|
230 15G+1 0.01513 0.00000 0.00000 0.00000 -0.00674
|
|
231 15G-1 -0.00662 0.00000 0.00000 0.00000 0.00309
|
|
232 15G+2 0.00000 -0.00980 -0.00190 -0.00001 0.00000
|
|
233 15G-2 0.00000 0.00315 0.00206 -0.00790 0.00000
|
|
234 15G+3 -0.00630 0.00000 0.00000 0.00000 0.00112
|
|
235 15G-3 0.01597 0.00000 0.00000 0.00000 -0.00222
|
|
236 15G+4 0.00000 0.01104 -0.00125 0.01158 0.00000
|
|
237 15G-4 0.00000 -0.00232 -0.00310 0.00548 0.00000
|
|
238 4 H 1S 0.00000 -0.00084 -0.04591 0.00266 0.00000
|
|
239 2S 0.00000 -0.01780 -0.39080 0.05626 0.00000
|
|
240 3S 0.00000 -0.35745 4.28279 -0.62578 0.00000
|
|
241 4S 0.00000 0.50183 -6.09939 1.00945 0.00000
|
|
242 5S 0.00000 -0.37257 0.41669 -0.35658 0.00000
|
|
243 6PX 0.00000 0.00161 0.06622 -0.00837 0.00000
|
|
244 6PY 0.00000 0.00125 -0.07010 -0.00660 0.00000
|
|
245 6PZ 0.01002 0.00000 0.00000 0.00000 -0.00225
|
|
246 7PX 0.00000 -0.01266 -0.35803 0.05597 0.00000
|
|
247 7PY 0.00000 0.00329 0.40283 0.06066 0.00000
|
|
248 7PZ -0.06400 0.00000 0.00000 0.00000 0.02605
|
|
249 8PX 0.00000 -0.06352 -0.47621 -0.11470 0.00000
|
|
250 8PY 0.00000 -0.18972 -2.45193 -0.79250 0.00000
|
|
251 8PZ 0.71512 0.00000 0.00000 0.00000 -0.35525
|
|
252 9PX 0.00000 -0.14635 1.41351 -0.48352 0.00000
|
|
253 9PY 0.00000 0.02421 -1.90270 -0.45537 0.00000
|
|
254 9PZ 1.09235 0.00000 0.00000 0.00000 -0.42975
|
|
255 10D 0 0.00000 -0.00311 0.01372 -0.00262 0.00000
|
|
256 10D+1 0.00118 0.00000 0.00000 0.00000 -0.00701
|
|
257 10D-1 0.02641 0.00000 0.00000 0.00000 0.00795
|
|
258 10D+2 0.00000 0.00270 -0.02471 -0.01891 0.00000
|
|
259 10D-2 0.00000 -0.00308 0.00164 -0.02325 0.00000
|
|
260 11D 0 0.00000 0.02025 -0.21693 0.03325 0.00000
|
|
261 11D+1 -0.04407 0.00000 0.00000 0.00000 0.07035
|
|
262 11D-1 -0.11718 0.00000 0.00000 0.00000 -0.05015
|
|
263 11D+2 0.00000 0.00569 0.39447 0.08137 0.00000
|
|
264 11D-2 0.00000 0.02499 -0.06585 0.18252 0.00000
|
|
265 12D 0 0.00000 -0.13987 0.95621 -0.01113 0.00000
|
|
266 12D+1 -0.80258 0.00000 0.00000 0.00000 0.30573
|
|
267 12D-1 0.92991 0.00000 0.00000 0.00000 -0.01384
|
|
268 12D+2 0.00000 0.17977 -0.00188 0.51452 0.00000
|
|
269 12D-2 0.00000 0.13161 2.17986 0.14625 0.00000
|
|
270 13F 0 -0.00538 0.00000 0.00000 0.00000 -0.00054
|
|
271 13F+1 0.00000 0.00174 0.01810 -0.00282 0.00000
|
|
272 13F-1 0.00000 0.00799 0.00162 -0.00292 0.00000
|
|
273 13F+2 -0.00133 0.00000 0.00000 0.00000 -0.01032
|
|
274 13F-2 -0.00133 0.00000 0.00000 0.00000 -0.00232
|
|
275 13F+3 0.00000 -0.00109 -0.02582 0.00198 0.00000
|
|
276 13F-3 0.00000 0.00509 0.00775 -0.01176 0.00000
|
|
277 14F 0 -0.06514 0.00000 0.00000 0.00000 0.06341
|
|
278 14F+1 0.00000 -0.00776 -0.03854 0.00424 0.00000
|
|
279 14F-1 0.00000 -0.04225 0.07109 0.07522 0.00000
|
|
280 14F+2 0.11033 0.00000 0.00000 0.00000 -0.00579
|
|
281 14F-2 -0.07240 0.00000 0.00000 0.00000 0.07173
|
|
282 14F+3 0.00000 -0.02457 -0.19835 -0.15334 0.00000
|
|
283 14F-3 0.00000 -0.06219 -0.17755 -0.00025 0.00000
|
|
284 15G 0 0.00000 0.00103 -0.00256 -0.00202 0.00000
|
|
285 15G+1 0.00928 0.00000 0.00000 0.00000 -0.00366
|
|
286 15G-1 -0.00355 0.00000 0.00000 0.00000 0.00245
|
|
287 15G+2 0.00000 0.00104 -0.00325 -0.00347 0.00000
|
|
288 15G-2 0.00000 0.00017 -0.00886 -0.00421 0.00000
|
|
289 15G+3 -0.00410 0.00000 0.00000 0.00000 0.00216
|
|
290 15G-3 0.00767 0.00000 0.00000 0.00000 -0.00541
|
|
291 15G+4 0.00000 0.00314 0.02288 0.00798 0.00000
|
|
292 15G-4 0.00000 0.00258 0.00607 -0.00119 0.00000
|
|
293 5 H 1S -0.00507 0.00785 -0.00199 0.00300 0.00391
|
|
294 2S 0.33049 -0.25442 0.22765 0.05055 0.29074
|
|
295 3S -2.38340 -4.48565 -2.91641 -2.44743 -2.67529
|
|
296 4S -2.05699 -0.71892 -4.86126 -2.51434 -4.02666
|
|
297 5S -0.40331 0.26593 -0.21861 0.00203 -0.02652
|
|
298 6PX -0.00237 0.00078 0.01017 0.02752 -0.02073
|
|
299 6PY -0.00443 0.00202 -0.00061 -0.03110 -0.05695
|
|
300 6PZ 0.01549 0.00921 0.00175 -0.01107 -0.00401
|
|
301 7PX -0.00861 0.01228 -0.06897 -0.15974 0.09536
|
|
302 7PY -0.00416 -0.01616 -0.01121 0.17434 0.31348
|
|
303 7PZ -0.13441 -0.02565 -0.04726 0.04805 -0.01392
|
|
304 8PX 0.18664 0.58858 0.85814 1.63144 -0.27039
|
|
305 8PY 0.14983 0.89088 0.38938 -1.10422 -2.26820
|
|
306 8PZ 1.50364 1.50273 1.14236 0.33738 0.99943
|
|
307 9PX -0.17760 -0.42448 0.84043 0.47381 0.60823
|
|
308 9PY 0.72845 0.07176 0.66091 -0.59132 -1.06849
|
|
309 9PZ 2.25583 -0.53306 2.20138 0.62450 1.36366
|
|
310 10D 0 -0.01781 0.00383 0.00651 0.00438 0.02112
|
|
311 10D+1 0.02595 0.02884 0.00791 0.00874 0.00582
|
|
312 10D-1 0.00991 0.00155 -0.00266 0.01180 0.00266
|
|
313 10D+2 0.01307 -0.03093 -0.00038 0.01450 0.01573
|
|
314 10D-2 -0.00892 -0.00346 0.00523 -0.00542 0.01508
|
|
315 11D 0 0.05738 -0.08510 -0.06661 -0.05036 -0.18610
|
|
316 11D+1 -0.13777 -0.23470 -0.07444 -0.11084 -0.07947
|
|
317 11D-1 -0.05437 -0.09731 -0.00987 -0.07264 -0.01907
|
|
318 11D+2 -0.06468 0.17345 0.00185 -0.10737 -0.10569
|
|
319 11D-2 0.04710 -0.02670 -0.03673 0.01765 -0.07756
|
|
320 12D 0 -1.67897 0.35927 -0.51904 0.08352 -0.60402
|
|
321 12D+1 0.11643 1.29686 -0.47378 -0.47413 -0.14395
|
|
322 12D-1 -0.57247 -0.24226 -0.74522 1.11122 1.23111
|
|
323 12D+2 0.57086 -0.59663 -0.16726 -0.40935 -0.26011
|
|
324 12D-2 -0.28479 -0.18132 -0.03581 -0.03464 1.21220
|
|
325 13F 0 0.00180 0.00091 -0.00060 -0.00128 0.01014
|
|
326 13F+1 -0.00068 0.01551 0.00337 0.00931 0.00350
|
|
327 13F-1 -0.00093 0.00787 -0.00293 -0.00572 0.00236
|
|
328 13F+2 0.00235 -0.00068 -0.00134 0.00169 0.00946
|
|
329 13F-2 -0.00296 0.00995 0.00267 0.00563 -0.00035
|
|
330 13F+3 -0.00108 -0.00604 0.00262 0.01340 0.00001
|
|
331 13F-3 0.00018 -0.00430 -0.00340 0.00423 -0.00616
|
|
332 14F 0 0.11062 -0.03179 0.02781 -0.00476 0.10748
|
|
333 14F+1 0.08202 -0.14490 0.05215 0.01415 0.06454
|
|
334 14F-1 0.11138 0.00297 0.10649 -0.02142 -0.04595
|
|
335 14F+2 -0.06864 -0.06801 0.01094 0.13519 0.05291
|
|
336 14F-2 0.04634 -0.02720 0.02188 -0.04952 -0.09249
|
|
337 14F+3 -0.01843 0.00570 -0.01046 -0.02600 0.07282
|
|
338 14F-3 -0.02163 0.02486 0.02006 0.00939 0.04061
|
|
339 15G 0 -0.00646 -0.00049 0.00237 0.00061 -0.00719
|
|
340 15G+1 -0.00844 0.01007 -0.00306 0.00095 -0.00479
|
|
341 15G-1 -0.00959 0.00231 -0.00647 0.00180 -0.00197
|
|
342 15G+2 0.00604 0.00835 0.00094 -0.00810 -0.00484
|
|
343 15G-2 -0.00416 0.00506 -0.00334 0.00436 0.00683
|
|
344 15G+3 0.00585 0.00213 0.00114 -0.00419 -0.00637
|
|
345 15G-3 0.00206 0.00297 0.00048 -0.00251 0.00042
|
|
346 15G+4 0.00077 0.00038 -0.00007 -0.00019 -0.00201
|
|
347 15G-4 0.00193 0.00037 0.00056 -0.00072 -0.00329
|
|
348 6 H 1S 0.00507 0.00785 -0.00199 0.00300 -0.00391
|
|
349 2S -0.33049 -0.25442 0.22765 0.05055 -0.29074
|
|
350 3S 2.38340 -4.48565 -2.91641 -2.44743 2.67529
|
|
351 4S 2.05699 -0.71892 -4.86126 -2.51434 4.02666
|
|
352 5S 0.40331 0.26593 -0.21861 0.00203 0.02652
|
|
353 6PX 0.00237 0.00078 0.01017 0.02752 0.02073
|
|
354 6PY 0.00443 0.00202 -0.00061 -0.03110 0.05695
|
|
355 6PZ 0.01549 -0.00921 -0.00175 0.01107 -0.00401
|
|
356 7PX 0.00861 0.01228 -0.06897 -0.15974 -0.09536
|
|
357 7PY 0.00416 -0.01616 -0.01121 0.17434 -0.31348
|
|
358 7PZ -0.13441 0.02565 0.04726 -0.04805 -0.01392
|
|
359 8PX -0.18664 0.58858 0.85814 1.63144 0.27039
|
|
360 8PY -0.14983 0.89088 0.38938 -1.10422 2.26820
|
|
361 8PZ 1.50364 -1.50273 -1.14236 -0.33738 0.99943
|
|
362 9PX 0.17760 -0.42448 0.84043 0.47381 -0.60823
|
|
363 9PY -0.72845 0.07176 0.66091 -0.59132 1.06849
|
|
364 9PZ 2.25583 0.53306 -2.20138 -0.62450 1.36366
|
|
365 10D 0 0.01781 0.00383 0.00651 0.00438 -0.02112
|
|
366 10D+1 0.02595 -0.02884 -0.00791 -0.00874 0.00582
|
|
367 10D-1 0.00991 -0.00155 0.00266 -0.01180 0.00266
|
|
368 10D+2 -0.01307 -0.03093 -0.00038 0.01450 -0.01573
|
|
369 10D-2 0.00892 -0.00346 0.00523 -0.00542 -0.01508
|
|
370 11D 0 -0.05738 -0.08510 -0.06661 -0.05036 0.18610
|
|
371 11D+1 -0.13777 0.23470 0.07444 0.11084 -0.07947
|
|
372 11D-1 -0.05437 0.09731 0.00987 0.07264 -0.01907
|
|
373 11D+2 0.06468 0.17345 0.00185 -0.10737 0.10569
|
|
374 11D-2 -0.04710 -0.02670 -0.03673 0.01765 0.07756
|
|
375 12D 0 1.67897 0.35927 -0.51904 0.08352 0.60402
|
|
376 12D+1 0.11643 -1.29686 0.47378 0.47413 -0.14395
|
|
377 12D-1 -0.57247 0.24226 0.74522 -1.11122 1.23111
|
|
378 12D+2 -0.57086 -0.59663 -0.16726 -0.40935 0.26011
|
|
379 12D-2 0.28479 -0.18132 -0.03581 -0.03464 -1.21220
|
|
380 13F 0 0.00180 -0.00091 0.00060 0.00128 0.01014
|
|
381 13F+1 0.00068 0.01551 0.00337 0.00931 -0.00350
|
|
382 13F-1 0.00093 0.00787 -0.00293 -0.00572 -0.00236
|
|
383 13F+2 0.00235 0.00068 0.00134 -0.00169 0.00946
|
|
384 13F-2 -0.00296 -0.00995 -0.00267 -0.00563 -0.00035
|
|
385 13F+3 0.00108 -0.00604 0.00262 0.01340 -0.00001
|
|
386 13F-3 -0.00018 -0.00430 -0.00340 0.00423 0.00616
|
|
387 14F 0 0.11062 0.03179 -0.02781 0.00476 0.10748
|
|
388 14F+1 -0.08202 -0.14490 0.05215 0.01415 -0.06454
|
|
389 14F-1 -0.11138 0.00297 0.10649 -0.02142 0.04595
|
|
390 14F+2 -0.06864 0.06801 -0.01094 -0.13519 0.05291
|
|
391 14F-2 0.04634 0.02720 -0.02188 0.04952 -0.09249
|
|
392 14F+3 0.01843 0.00570 -0.01046 -0.02600 -0.07282
|
|
393 14F-3 0.02163 0.02486 0.02006 0.00939 -0.04061
|
|
394 15G 0 0.00646 -0.00049 0.00237 0.00061 0.00719
|
|
395 15G+1 -0.00844 -0.01007 0.00306 -0.00095 -0.00479
|
|
396 15G-1 -0.00959 -0.00231 0.00647 -0.00180 -0.00197
|
|
397 15G+2 -0.00604 0.00835 0.00094 -0.00810 0.00484
|
|
398 15G-2 0.00416 0.00506 -0.00334 0.00436 -0.00683
|
|
399 15G+3 0.00585 -0.00213 -0.00114 0.00419 -0.00637
|
|
400 15G-3 0.00206 -0.00297 -0.00048 0.00251 0.00042
|
|
401 15G+4 -0.00077 0.00038 -0.00007 -0.00019 0.00201
|
|
402 15G-4 -0.00193 0.00037 0.00056 -0.00072 0.00329
|
|
96 97 98 99 100
|
|
V V V V V
|
|
Eigenvalues -- 2.75187 2.75896 2.82574 2.84767 2.91087
|
|
1 1 C 1S 0.00000 0.03220 0.00000 -0.03457 0.01282
|
|
2 2S 0.00000 -0.07709 0.00000 0.08512 -0.01548
|
|
3 3S 0.00000 0.10471 0.00000 0.04007 0.10638
|
|
4 4S 0.00000 -2.72527 0.00000 -0.71033 -0.19308
|
|
5 5S 0.00000 2.65761 0.00000 8.87417 -2.13305
|
|
6 6S 0.00000 -1.59949 0.00000 0.73234 -1.41970
|
|
7 7PX 0.00000 -0.00979 0.00000 0.02274 -0.13265
|
|
8 7PY 0.00000 -0.08340 0.00000 0.00430 0.01906
|
|
9 7PZ 0.01100 0.00000 -0.12188 0.00000 0.00000
|
|
10 8PX 0.00000 0.01461 0.00000 -0.08414 -0.25398
|
|
11 8PY 0.00000 -0.33680 0.00000 0.06024 0.12067
|
|
12 8PZ -0.05048 0.00000 -0.61456 0.00000 0.00000
|
|
13 9PX 0.00000 -0.95046 0.00000 0.14972 -4.53420
|
|
14 9PY 0.00000 -0.99900 0.00000 -0.31950 -0.83546
|
|
15 9PZ -0.50232 0.00000 -0.54527 0.00000 0.00000
|
|
16 10PX 0.00000 0.56272 0.00000 2.19444 2.54389
|
|
17 10PY 0.00000 3.61480 0.00000 1.61301 2.58245
|
|
18 10PZ 1.76555 0.00000 5.01528 0.00000 0.00000
|
|
19 11PX 0.00000 -0.30407 0.00000 -0.13510 0.45563
|
|
20 11PY 0.00000 0.66108 0.00000 0.24142 0.33331
|
|
21 11PZ 0.01374 0.00000 0.82513 0.00000 0.00000
|
|
22 12D 0 0.00000 0.01507 0.00000 0.00722 0.00342
|
|
23 12D+1 0.00432 0.00000 -0.00425 0.00000 0.00000
|
|
24 12D-1 0.00888 0.00000 -0.01830 0.00000 0.00000
|
|
25 12D+2 0.00000 0.01390 0.00000 -0.00539 0.00648
|
|
26 12D-2 0.00000 0.00462 0.00000 -0.00120 -0.02149
|
|
27 13D 0 0.00000 -0.03984 0.00000 -0.01076 0.07747
|
|
28 13D+1 -0.01905 0.00000 0.05527 0.00000 0.00000
|
|
29 13D-1 0.00002 0.00000 0.15561 0.00000 0.00000
|
|
30 13D+2 0.00000 -0.01103 0.00000 0.06013 -0.08992
|
|
31 13D-2 0.00000 -0.03117 0.00000 0.05764 0.16016
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|
292 15G-4 0.00000 -0.00529 0.00000 -0.00433 -0.00263
|
|
293 5 H 1S 0.00330 0.01365 0.00237 -0.01085 0.00292
|
|
294 2S -0.05905 0.40495 0.33612 -0.15066 0.10084
|
|
295 3S 0.20528 -3.17584 -1.26192 -1.43344 1.83082
|
|
296 4S -0.59568 0.25051 -2.79458 -2.88918 0.45531
|
|
297 5S 0.12775 -0.22456 -0.47026 0.20389 -0.19108
|
|
298 6PX -0.04270 -0.01689 -0.02062 0.01185 -0.01184
|
|
299 6PY 0.00461 -0.00205 0.01082 0.00926 0.00148
|
|
300 6PZ 0.00984 -0.04424 -0.04068 0.01059 -0.03348
|
|
301 7PX 0.24968 0.07288 0.09193 -0.05689 0.06900
|
|
302 7PY -0.02506 0.00021 -0.08945 -0.04929 -0.00696
|
|
303 7PZ -0.04447 0.21399 0.19148 -0.04851 0.18919
|
|
304 8PX -2.22528 0.18395 -0.39553 0.35977 -0.85775
|
|
305 8PY 0.37669 0.41262 1.07930 0.28130 -0.15028
|
|
306 8PZ 0.57442 -0.35375 -1.29078 0.36536 -1.76066
|
|
307 9PX -1.12126 0.34644 -0.39911 0.98549 -0.01087
|
|
308 9PY 0.31421 -0.10202 2.02086 -0.27273 0.14692
|
|
309 9PZ 0.22195 -0.59348 -0.41848 0.60798 -1.10130
|
|
310 10D 0 0.00823 0.01555 0.01190 -0.00958 0.00668
|
|
311 10D+1 -0.01024 0.02364 0.02264 -0.01179 -0.00015
|
|
312 10D-1 -0.00251 0.01263 0.02127 0.00689 0.00616
|
|
313 10D+2 -0.01154 -0.00173 0.00531 -0.01388 -0.00118
|
|
314 10D-2 0.01527 0.00167 0.00995 -0.01171 -0.00099
|
|
315 11D 0 -0.07696 -0.12574 -0.05629 0.04217 -0.01840
|
|
316 11D+1 0.07830 -0.19147 -0.13836 0.05953 0.01804
|
|
317 11D-1 -0.00885 -0.12644 -0.14488 -0.03466 -0.01378
|
|
318 11D+2 0.09197 0.00102 -0.02157 0.06566 0.00978
|
|
319 11D-2 -0.07812 -0.04466 -0.06943 0.05876 0.00523
|
|
320 12D 0 -0.39315 0.73634 1.28763 -0.15603 0.75006
|
|
321 12D+1 0.92893 0.49034 0.92026 -0.45907 0.70095
|
|
322 12D-1 -0.49864 0.40276 -0.34694 0.40076 0.30033
|
|
323 12D+2 0.51981 -0.09036 0.80401 -0.43049 0.19826
|
|
324 12D-2 0.78215 -0.05722 -0.33111 -0.28791 -0.02647
|
|
325 13F 0 0.00853 -0.00125 -0.00389 0.00284 -0.00048
|
|
326 13F+1 0.00219 0.00119 0.00200 -0.00184 -0.00236
|
|
327 13F-1 0.00062 0.00582 0.00099 0.00892 -0.00223
|
|
328 13F+2 -0.01008 -0.00201 -0.00190 0.00820 0.00313
|
|
329 13F-2 -0.00017 0.00778 -0.00288 0.00291 -0.00197
|
|
330 13F+3 0.00414 0.00022 -0.00046 -0.00956 -0.01024
|
|
331 13F-3 -0.00025 0.00290 0.00095 0.00296 0.00250
|
|
332 14F 0 0.05493 -0.03673 -0.10015 -0.01968 -0.03073
|
|
333 14F+1 -0.07523 0.00546 -0.04956 0.02811 -0.05038
|
|
334 14F-1 0.05528 -0.02109 0.05702 -0.10478 -0.01446
|
|
335 14F+2 -0.06872 0.01898 -0.08939 -0.00387 -0.07143
|
|
336 14F-2 -0.02529 -0.00952 0.10888 -0.01884 0.01856
|
|
337 14F+3 -0.07675 -0.01146 -0.06026 0.07397 0.03604
|
|
338 14F-3 -0.04690 0.00057 -0.01328 -0.00636 -0.01815
|
|
339 15G 0 -0.00607 0.00162 0.00889 -0.00159 -0.00052
|
|
340 15G+1 -0.00014 0.00381 0.00481 -0.00090 0.00203
|
|
341 15G-1 -0.00314 0.00163 0.00171 0.00474 0.00269
|
|
342 15G+2 0.00545 0.00016 0.00679 -0.00544 0.00556
|
|
343 15G-2 0.00087 0.00276 -0.00490 -0.00037 -0.00114
|
|
344 15G+3 0.00439 -0.00017 0.00699 -0.00339 0.00358
|
|
345 15G-3 0.00262 -0.00101 0.00179 -0.00324 0.00146
|
|
346 15G+4 0.00044 0.00100 0.00184 -0.00062 0.00078
|
|
347 15G-4 0.00481 -0.00064 0.00278 -0.00089 0.00044
|
|
348 6 H 1S -0.00330 0.01365 -0.00237 -0.01085 0.00292
|
|
349 2S 0.05905 0.40495 -0.33612 -0.15066 0.10084
|
|
350 3S -0.20528 -3.17584 1.26192 -1.43344 1.83082
|
|
351 4S 0.59568 0.25051 2.79458 -2.88918 0.45531
|
|
352 5S -0.12775 -0.22456 0.47026 0.20389 -0.19108
|
|
353 6PX 0.04270 -0.01689 0.02062 0.01185 -0.01184
|
|
354 6PY -0.00461 -0.00205 -0.01082 0.00926 0.00148
|
|
355 6PZ 0.00984 0.04424 -0.04068 -0.01059 0.03348
|
|
356 7PX -0.24968 0.07288 -0.09193 -0.05689 0.06900
|
|
357 7PY 0.02506 0.00021 0.08945 -0.04929 -0.00696
|
|
358 7PZ -0.04447 -0.21399 0.19148 0.04851 -0.18919
|
|
359 8PX 2.22528 0.18395 0.39553 0.35977 -0.85775
|
|
360 8PY -0.37669 0.41262 -1.07930 0.28130 -0.15028
|
|
361 8PZ 0.57442 0.35375 -1.29078 -0.36536 1.76066
|
|
362 9PX 1.12126 0.34644 0.39911 0.98549 -0.01087
|
|
363 9PY -0.31421 -0.10202 -2.02086 -0.27273 0.14692
|
|
364 9PZ 0.22195 0.59348 -0.41848 -0.60798 1.10130
|
|
365 10D 0 -0.00823 0.01555 -0.01190 -0.00958 0.00668
|
|
366 10D+1 -0.01024 -0.02364 0.02264 0.01179 0.00015
|
|
367 10D-1 -0.00251 -0.01263 0.02127 -0.00689 -0.00616
|
|
368 10D+2 0.01154 -0.00173 -0.00531 -0.01388 -0.00118
|
|
369 10D-2 -0.01527 0.00167 -0.00995 -0.01171 -0.00099
|
|
370 11D 0 0.07696 -0.12574 0.05629 0.04217 -0.01840
|
|
371 11D+1 0.07830 0.19147 -0.13836 -0.05953 -0.01804
|
|
372 11D-1 -0.00885 0.12644 -0.14488 0.03466 0.01378
|
|
373 11D+2 -0.09197 0.00102 0.02157 0.06566 0.00978
|
|
374 11D-2 0.07812 -0.04466 0.06943 0.05876 0.00523
|
|
375 12D 0 0.39315 0.73634 -1.28763 -0.15603 0.75006
|
|
376 12D+1 0.92893 -0.49034 0.92026 0.45907 -0.70095
|
|
377 12D-1 -0.49864 -0.40276 -0.34694 -0.40076 -0.30033
|
|
378 12D+2 -0.51981 -0.09036 -0.80401 -0.43049 0.19826
|
|
379 12D-2 -0.78215 -0.05722 0.33111 -0.28791 -0.02647
|
|
380 13F 0 0.00853 0.00125 -0.00389 -0.00284 0.00048
|
|
381 13F+1 -0.00219 0.00119 -0.00200 -0.00184 -0.00236
|
|
382 13F-1 -0.00062 0.00582 -0.00099 0.00892 -0.00223
|
|
383 13F+2 -0.01008 0.00201 -0.00190 -0.00820 -0.00313
|
|
384 13F-2 -0.00017 -0.00778 -0.00288 -0.00291 0.00197
|
|
385 13F+3 -0.00414 0.00022 0.00046 -0.00956 -0.01024
|
|
386 13F-3 0.00025 0.00290 -0.00095 0.00296 0.00250
|
|
387 14F 0 0.05493 0.03673 -0.10015 0.01968 0.03073
|
|
388 14F+1 0.07523 0.00546 0.04956 0.02811 -0.05038
|
|
389 14F-1 -0.05528 -0.02109 -0.05702 -0.10478 -0.01446
|
|
390 14F+2 -0.06872 -0.01898 -0.08939 0.00387 0.07143
|
|
391 14F-2 -0.02529 0.00952 0.10888 0.01884 -0.01856
|
|
392 14F+3 0.07675 -0.01146 0.06026 0.07397 0.03604
|
|
393 14F-3 0.04690 0.00057 0.01328 -0.00636 -0.01815
|
|
394 15G 0 0.00607 0.00162 -0.00889 -0.00159 -0.00052
|
|
395 15G+1 -0.00014 -0.00381 0.00481 0.00090 -0.00203
|
|
396 15G-1 -0.00314 -0.00163 0.00171 -0.00474 -0.00269
|
|
397 15G+2 -0.00545 0.00016 -0.00679 -0.00544 0.00556
|
|
398 15G-2 -0.00087 0.00276 0.00490 -0.00037 -0.00114
|
|
399 15G+3 0.00439 0.00017 0.00699 0.00339 -0.00358
|
|
400 15G-3 0.00262 0.00101 0.00179 0.00324 -0.00146
|
|
401 15G+4 -0.00044 0.00100 -0.00184 -0.00062 0.00078
|
|
402 15G-4 -0.00481 -0.00064 -0.00278 -0.00089 0.00044
|
|
101 102 103 104 105
|
|
V V V V V
|
|
Eigenvalues -- 3.00089 3.05012 3.14771 3.17203 3.21618
|
|
1 1 C 1S 0.05897 0.00000 0.02370 0.00000 0.01388
|
|
2 2S -0.10763 0.00000 -0.02005 0.00000 -0.02548
|
|
3 3S 0.29720 0.00000 0.23508 0.00000 0.09804
|
|
4 4S -4.31236 0.00000 -5.59966 0.00000 -1.93584
|
|
5 5S 7.95355 0.00000 12.47444 0.00000 3.11361
|
|
6 6S -1.54395 0.00000 0.49304 0.00000 -1.62950
|
|
7 7PX 0.05625 0.00000 -0.03379 0.00000 0.07657
|
|
8 7PY 0.05121 0.00000 -0.09771 0.00000 0.00425
|
|
9 7PZ 0.00000 -0.02187 0.00000 -0.07854 0.00000
|
|
10 8PX 0.23125 0.00000 0.31634 0.00000 -1.26416
|
|
11 8PY 0.33328 0.00000 -0.81730 0.00000 -0.25529
|
|
12 8PZ 0.00000 -0.09828 0.00000 1.40922 0.00000
|
|
13 9PX -0.42424 0.00000 -3.66030 0.00000 13.94808
|
|
14 9PY -3.25232 0.00000 3.56725 0.00000 1.56185
|
|
15 9PZ 0.00000 0.77097 0.00000 -14.28144 0.00000
|
|
16 10PX -0.94541 0.00000 -2.15445 0.00000 10.73131
|
|
17 10PY 2.61658 0.00000 -3.73409 0.00000 1.52090
|
|
18 10PZ 0.00000 -2.28635 0.00000 -12.96914 0.00000
|
|
19 11PX -0.10526 0.00000 0.26617 0.00000 0.17734
|
|
20 11PY 0.05989 0.00000 -0.18330 0.00000 0.17775
|
|
21 11PZ 0.00000 -0.03361 0.00000 -0.20454 0.00000
|
|
22 12D 0 0.00783 0.00000 -0.02040 0.00000 0.00151
|
|
23 12D+1 0.00000 -0.00186 0.00000 -0.00176 0.00000
|
|
24 12D-1 0.00000 -0.00308 0.00000 0.03132 0.00000
|
|
25 12D+2 -0.00997 0.00000 -0.03641 0.00000 -0.00961
|
|
26 12D-2 0.01933 0.00000 -0.00096 0.00000 -0.03836
|
|
27 13D 0 -0.06698 0.00000 0.19408 0.00000 -0.19902
|
|
28 13D+1 0.00000 -0.01533 0.00000 0.22880 0.00000
|
|
29 13D-1 0.00000 -0.01417 0.00000 0.00488 0.00000
|
|
30 13D+2 0.01276 0.00000 0.20312 0.00000 0.15985
|
|
31 13D-2 -0.05653 0.00000 0.01646 0.00000 0.01583
|
|
32 14D 0 -1.50414 0.00000 -1.95745 0.00000 9.19796
|
|
33 14D+1 0.00000 0.91191 0.00000 -9.81061 0.00000
|
|
34 14D-1 0.00000 1.09164 0.00000 -4.92033 0.00000
|
|
35 14D+2 -1.92235 0.00000 1.19037 0.00000 -6.51780
|
|
36 14D-2 0.11468 0.00000 -1.16364 0.00000 2.75755
|
|
37 15D 0 -0.40257 0.00000 -1.45857 0.00000 5.06516
|
|
38 15D+1 0.00000 0.76514 0.00000 -5.73071 0.00000
|
|
39 15D-1 0.00000 0.04510 0.00000 -1.44618 0.00000
|
|
40 15D+2 0.24426 0.00000 -0.45568 0.00000 -3.02913
|
|
41 15D-2 0.91992 0.00000 -1.32894 0.00000 -0.88187
|
|
42 16F 0 0.00000 0.02486 0.00000 0.00715 0.00000
|
|
43 16F+1 -0.01928 0.00000 -0.00774 0.00000 -0.01309
|
|
44 16F-1 -0.02700 0.00000 -0.01264 0.00000 -0.06613
|
|
45 16F+2 0.00000 -0.01674 0.00000 -0.00209 0.00000
|
|
46 16F-2 0.00000 -0.01238 0.00000 0.07365 0.00000
|
|
47 16F+3 0.01899 0.00000 0.00799 0.00000 -0.02384
|
|
48 16F-3 -0.00899 0.00000 -0.06737 0.00000 0.03000
|
|
49 17F 0 0.00000 -0.22361 0.00000 -0.17122 0.00000
|
|
50 17F+1 0.11255 0.00000 0.33292 0.00000 0.16346
|
|
51 17F-1 0.20221 0.00000 0.07095 0.00000 0.83537
|
|
52 17F+2 0.00000 0.13066 0.00000 -0.07998 0.00000
|
|
53 17F-2 0.00000 0.19430 0.00000 -0.95973 0.00000
|
|
54 17F+3 -0.19151 0.00000 -0.21698 0.00000 0.38845
|
|
55 17F-3 0.21382 0.00000 0.50681 0.00000 -0.40109
|
|
56 18F 0 0.00000 -2.30650 0.00000 -0.24457 0.00000
|
|
57 18F+1 0.03267 0.00000 2.20625 0.00000 0.27826
|
|
58 18F-1 -0.03723 0.00000 0.44370 0.00000 3.79061
|
|
59 18F+2 0.00000 1.64498 0.00000 -0.49658 0.00000
|
|
60 18F-2 0.00000 0.63246 0.00000 -4.68275 0.00000
|
|
61 18F+3 0.27903 0.00000 -0.83796 0.00000 1.53170
|
|
62 18F-3 1.76798 0.00000 1.73563 0.00000 -1.68766
|
|
63 19G 0 0.01794 0.00000 -0.01268 0.00000 -0.01156
|
|
64 19G+1 0.00000 0.01771 0.00000 -0.02213 0.00000
|
|
65 19G-1 0.00000 0.02430 0.00000 -0.00431 0.00000
|
|
66 19G+2 -0.00318 0.00000 -0.03318 0.00000 0.01426
|
|
67 19G-2 0.00079 0.00000 0.02727 0.00000 0.01239
|
|
68 19G+3 0.00000 0.01435 0.00000 -0.00417 0.00000
|
|
69 19G-3 0.00000 0.00312 0.00000 -0.00673 0.00000
|
|
70 19G+4 0.02634 0.00000 -0.03711 0.00000 -0.01258
|
|
71 19G-4 -0.00594 0.00000 -0.01325 0.00000 -0.00088
|
|
72 20G 0 -0.14089 0.00000 0.17017 0.00000 -0.17464
|
|
73 20G+1 0.00000 -0.22348 0.00000 -0.37069 0.00000
|
|
74 20G-1 0.00000 -0.47029 0.00000 -0.61536 0.00000
|
|
75 20G+2 -0.04987 0.00000 0.07989 0.00000 0.21831
|
|
76 20G-2 0.27308 0.00000 0.21521 0.00000 0.42682
|
|
77 20G+3 0.00000 -0.29712 0.00000 0.17498 0.00000
|
|
78 20G-3 0.00000 0.23642 0.00000 -0.47671 0.00000
|
|
79 20G+4 -0.22721 0.00000 0.42345 0.00000 -0.31498
|
|
80 20G-4 -0.11353 0.00000 -0.26960 0.00000 0.54891
|
|
81 21H 0 0.00000 -0.00628 0.00000 0.06137 0.00000
|
|
82 21H+1 -0.02291 0.00000 -0.02293 0.00000 0.07841
|
|
83 21H-1 0.00541 0.00000 -0.02026 0.00000 0.03971
|
|
84 21H+2 0.00000 -0.00827 0.00000 -0.05696 0.00000
|
|
85 21H-2 0.00000 -0.01249 0.00000 -0.06171 0.00000
|
|
86 21H+3 -0.03260 0.00000 -0.00223 0.00000 -0.05533
|
|
87 21H-3 0.01295 0.00000 -0.02874 0.00000 0.02136
|
|
88 21H+4 0.00000 -0.04628 0.00000 0.02497 0.00000
|
|
89 21H-4 0.00000 -0.00442 0.00000 -0.02685 0.00000
|
|
90 21H+5 0.02404 0.00000 -0.00733 0.00000 0.03907
|
|
91 21H-5 0.02253 0.00000 -0.01566 0.00000 -0.04416
|
|
92 2 O 1S -0.00711 0.00000 -0.04207 0.00000 0.01003
|
|
93 2S -0.01358 0.00000 0.06110 0.00000 -0.01747
|
|
94 3S -0.11187 0.00000 -0.09921 0.00000 0.03248
|
|
95 4S 0.71094 0.00000 0.39365 0.00000 -0.81107
|
|
96 5S -2.91440 0.00000 1.56540 0.00000 3.62924
|
|
97 6S -1.37149 0.00000 2.84468 0.00000 3.89986
|
|
98 7PX -0.01416 0.00000 0.03507 0.00000 0.00986
|
|
99 7PY -0.01279 0.00000 0.02638 0.00000 -0.01007
|
|
100 7PZ 0.00000 -0.03497 0.00000 -0.00368 0.00000
|
|
101 8PX 0.04933 0.00000 -0.15732 0.00000 -0.20813
|
|
102 8PY -0.09199 0.00000 0.22452 0.00000 0.09434
|
|
103 8PZ 0.00000 0.09764 0.00000 -0.03326 0.00000
|
|
104 9PX -0.93911 0.00000 1.17138 0.00000 1.25368
|
|
105 9PY 0.74884 0.00000 -0.63341 0.00000 -0.49572
|
|
106 9PZ 0.00000 -0.68295 0.00000 -0.01193 0.00000
|
|
107 10PX 2.57592 0.00000 4.28982 0.00000 2.89245
|
|
108 10PY -4.50362 0.00000 -3.67833 0.00000 -2.28171
|
|
109 10PZ 0.00000 -1.26229 0.00000 -0.26689 0.00000
|
|
110 11PX 0.18825 0.00000 1.02100 0.00000 -0.47664
|
|
111 11PY -0.73170 0.00000 -0.54355 0.00000 0.22347
|
|
112 11PZ 0.00000 0.08230 0.00000 0.30406 0.00000
|
|
113 12D 0 -0.02210 0.00000 0.00797 0.00000 0.00180
|
|
114 12D+1 0.00000 0.01533 0.00000 -0.01587 0.00000
|
|
115 12D-1 0.00000 -0.00355 0.00000 -0.01478 0.00000
|
|
116 12D+2 -0.00320 0.00000 0.00836 0.00000 0.00076
|
|
117 12D-2 0.00493 0.00000 -0.00236 0.00000 0.00777
|
|
118 13D 0 0.03139 0.00000 0.00423 0.00000 0.01677
|
|
119 13D+1 0.00000 0.05055 0.00000 0.03652 0.00000
|
|
120 13D-1 0.00000 -0.02681 0.00000 0.01914 0.00000
|
|
121 13D+2 -0.05305 0.00000 -0.07345 0.00000 -0.02567
|
|
122 13D-2 -0.03169 0.00000 0.01918 0.00000 0.02852
|
|
123 14D 0 -0.27218 0.00000 0.04607 0.00000 -0.29338
|
|
124 14D+1 0.00000 -0.17632 0.00000 -0.30633 0.00000
|
|
125 14D-1 0.00000 0.06647 0.00000 -0.29447 0.00000
|
|
126 14D+2 -0.29139 0.00000 0.82780 0.00000 0.43609
|
|
127 14D-2 0.44079 0.00000 -0.25848 0.00000 -0.22564
|
|
128 15D 0 0.65449 0.00000 -1.09343 0.00000 -0.19823
|
|
129 15D+1 0.00000 -2.00941 0.00000 -1.09497 0.00000
|
|
130 15D-1 0.00000 1.08771 0.00000 0.84011 0.00000
|
|
131 15D+2 3.64308 0.00000 1.25720 0.00000 0.85852
|
|
132 15D-2 -0.01407 0.00000 -0.69588 0.00000 -1.68815
|
|
133 16F 0 0.00000 0.00866 0.00000 0.00907 0.00000
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383 13F+2 -0.00496 -0.00154 -0.00043 -0.00129 -0.00219
|
|
384 13F-2 -0.00445 -0.00032 0.00110 -0.01658 -0.01376
|
|
385 13F+3 -0.00157 0.00018 0.00419 -0.00495 0.00063
|
|
386 13F-3 -0.00554 -0.00403 -0.00322 0.00041 0.00351
|
|
387 14F 0 -0.02262 0.17458 -0.03570 -0.04854 0.09218
|
|
388 14F+1 -0.01543 -0.04897 0.10872 0.04347 0.03438
|
|
389 14F-1 -0.06683 -0.02215 0.04081 0.13836 0.01171
|
|
390 14F+2 -0.00750 -0.02090 -0.01244 0.06253 -0.09630
|
|
391 14F-2 0.07636 -0.04509 -0.00321 -0.06676 -0.10142
|
|
392 14F+3 0.03891 0.01470 -0.02246 -0.01424 -0.02315
|
|
393 14F-3 0.02763 0.05175 0.01666 0.02148 0.07085
|
|
394 15G 0 -0.00372 0.00869 -0.00245 -0.00036 0.00923
|
|
395 15G+1 -0.00034 -0.00565 0.00721 0.00475 -0.00379
|
|
396 15G-1 -0.00356 -0.00085 0.00111 0.00626 -0.00542
|
|
397 15G+2 -0.00285 -0.00086 -0.00331 0.00592 -0.00726
|
|
398 15G-2 0.00396 -0.00208 0.00374 -0.00371 -0.00384
|
|
399 15G+3 0.00415 0.00287 0.00326 -0.00406 -0.00029
|
|
400 15G-3 0.00053 0.00025 -0.00189 -0.00043 0.00618
|
|
401 15G+4 -0.00115 -0.00112 -0.00002 0.00028 0.00358
|
|
402 15G-4 -0.00008 -0.00034 0.00044 0.00064 -0.00211
|
|
106 107 108 109 110
|
|
V V V V V
|
|
Eigenvalues -- 3.22970 3.26531 3.28650 3.32724 3.33507
|
|
1 1 C 1S 0.02227 0.00000 -0.00684 0.00000 0.00170
|
|
2 2S -0.02942 0.00000 0.02230 0.00000 -0.00347
|
|
3 3S 0.02191 0.00000 -0.04484 0.00000 -0.00891
|
|
4 4S 0.57329 0.00000 1.04402 0.00000 0.14568
|
|
5 5S -9.99197 0.00000 -5.17766 0.00000 -2.07117
|
|
6 6S -3.87600 0.00000 -0.60750 0.00000 1.32073
|
|
7 7PX -0.01130 0.00000 0.05698 0.00000 0.03251
|
|
8 7PY -0.03122 0.00000 -0.02845 0.00000 -0.00142
|
|
9 7PZ 0.00000 0.06313 0.00000 -0.01928 0.00000
|
|
10 8PX -0.00334 0.00000 0.03382 0.00000 0.55672
|
|
11 8PY -0.68619 0.00000 0.31982 0.00000 -0.61615
|
|
12 8PZ 0.00000 0.03873 0.00000 -0.52315 0.00000
|
|
13 9PX -0.67659 0.00000 1.05488 0.00000 -2.78909
|
|
14 9PY 6.02119 0.00000 -2.40921 0.00000 5.37935
|
|
15 9PZ 0.00000 1.32352 0.00000 1.15265 0.00000
|
|
16 10PX 0.30171 0.00000 4.30796 0.00000 -1.76662
|
|
17 10PY 0.44761 0.00000 -4.08748 0.00000 -1.22697
|
|
18 10PZ 0.00000 3.17040 0.00000 6.07983 0.00000
|
|
19 11PX -0.27368 0.00000 0.30948 0.00000 0.12849
|
|
20 11PY 0.02445 0.00000 -0.00488 0.00000 -0.16006
|
|
21 11PZ 0.00000 0.20057 0.00000 0.17970 0.00000
|
|
22 12D 0 -0.03556 0.00000 0.02822 0.00000 0.01379
|
|
23 12D+1 0.00000 0.03814 0.00000 -0.01761 0.00000
|
|
24 12D-1 0.00000 -0.00539 0.00000 -0.02301 0.00000
|
|
25 12D+2 -0.04436 0.00000 0.01430 0.00000 -0.04503
|
|
26 12D-2 -0.02862 0.00000 0.00166 0.00000 0.03294
|
|
27 13D 0 0.12757 0.00000 -0.13086 0.00000 -0.08751
|
|
28 13D+1 0.00000 -0.17507 0.00000 0.07791 0.00000
|
|
29 13D-1 0.00000 -0.09851 0.00000 0.22731 0.00000
|
|
30 13D+2 0.13533 0.00000 0.05431 0.00000 0.13778
|
|
31 13D-2 0.10372 0.00000 -0.07292 0.00000 -0.23139
|
|
32 14D 0 -0.73454 0.00000 2.76389 0.00000 1.15273
|
|
33 14D+1 0.00000 4.36637 0.00000 -1.25645 0.00000
|
|
34 14D-1 0.00000 -0.53617 0.00000 -1.27721 0.00000
|
|
35 14D+2 -0.25632 0.00000 0.64393 0.00000 -0.20877
|
|
36 14D-2 -1.64156 0.00000 -0.23763 0.00000 0.84133
|
|
37 15D 0 -1.23326 0.00000 0.91267 0.00000 -0.06587
|
|
38 15D+1 0.00000 2.92224 0.00000 0.77194 0.00000
|
|
39 15D-1 0.00000 -0.84236 0.00000 -0.48155 0.00000
|
|
40 15D+2 -1.38222 0.00000 -0.03626 0.00000 -1.17484
|
|
41 15D-2 -0.40889 0.00000 -0.16278 0.00000 0.16749
|
|
42 16F 0 0.00000 -0.01092 0.00000 0.04245 0.00000
|
|
43 16F+1 0.00484 0.00000 0.01192 0.00000 -0.02352
|
|
44 16F-1 -0.00318 0.00000 -0.02600 0.00000 0.00017
|
|
45 16F+2 0.00000 -0.00448 0.00000 0.05376 0.00000
|
|
46 16F-2 0.00000 -0.04611 0.00000 0.00828 0.00000
|
|
47 16F+3 0.00950 0.00000 -0.03822 0.00000 -0.05183
|
|
48 16F-3 0.00686 0.00000 0.00485 0.00000 0.00996
|
|
49 17F 0 0.00000 0.08763 0.00000 -0.19815 0.00000
|
|
50 17F+1 0.14699 0.00000 -0.06232 0.00000 0.19234
|
|
51 17F-1 0.00880 0.00000 0.11887 0.00000 -0.10147
|
|
52 17F+2 0.00000 0.02755 0.00000 -0.25675 0.00000
|
|
53 17F-2 0.00000 0.31693 0.00000 -0.03441 0.00000
|
|
54 17F+3 -0.07444 0.00000 0.25744 0.00000 0.18607
|
|
55 17F-3 -0.06289 0.00000 -0.04771 0.00000 -0.06294
|
|
56 18F 0 0.00000 1.02266 0.00000 -1.02123 0.00000
|
|
57 18F+1 -1.85815 0.00000 1.24125 0.00000 -0.21199
|
|
58 18F-1 0.64158 0.00000 -0.62239 0.00000 0.38889
|
|
59 18F+2 0.00000 0.57407 0.00000 -1.58446 0.00000
|
|
60 18F-2 0.00000 -0.05758 0.00000 -0.52422 0.00000
|
|
61 18F+3 -0.91871 0.00000 0.35972 0.00000 1.68292
|
|
62 18F-3 0.79286 0.00000 -1.05981 0.00000 0.70468
|
|
63 19G 0 -0.02442 0.00000 0.00237 0.00000 0.02001
|
|
64 19G+1 0.00000 -0.01382 0.00000 0.03391 0.00000
|
|
65 19G-1 0.00000 -0.01176 0.00000 -0.02223 0.00000
|
|
66 19G+2 -0.01814 0.00000 -0.02912 0.00000 -0.03183
|
|
67 19G-2 0.02585 0.00000 -0.00608 0.00000 0.00373
|
|
68 19G+3 0.00000 0.00358 0.00000 0.00531 0.00000
|
|
69 19G-3 0.00000 -0.01299 0.00000 -0.02308 0.00000
|
|
70 19G+4 -0.01957 0.00000 0.00884 0.00000 -0.00159
|
|
71 19G-4 -0.02489 0.00000 -0.00753 0.00000 0.01592
|
|
72 20G 0 0.09544 0.00000 0.19187 0.00000 -0.20212
|
|
73 20G+1 0.00000 0.20687 0.00000 -0.04319 0.00000
|
|
74 20G-1 0.00000 0.15735 0.00000 0.46605 0.00000
|
|
75 20G+2 -0.08625 0.00000 0.70412 0.00000 -0.03126
|
|
76 20G-2 0.07356 0.00000 -0.18046 0.00000 0.05726
|
|
77 20G+3 0.00000 0.10522 0.00000 -0.12192 0.00000
|
|
78 20G-3 0.00000 0.14998 0.00000 0.41470 0.00000
|
|
79 20G+4 -0.03839 0.00000 0.04607 0.00000 -0.18347
|
|
80 20G-4 0.10716 0.00000 0.28749 0.00000 -0.63751
|
|
81 21H 0 0.00000 -0.00476 0.00000 0.03188 0.00000
|
|
82 21H+1 -0.00827 0.00000 0.05444 0.00000 -0.02784
|
|
83 21H-1 -0.00152 0.00000 0.00749 0.00000 0.00640
|
|
84 21H+2 0.00000 0.03479 0.00000 0.03407 0.00000
|
|
85 21H-2 0.00000 0.02659 0.00000 0.02073 0.00000
|
|
86 21H+3 -0.01037 0.00000 0.06165 0.00000 -0.05369
|
|
87 21H-3 -0.01603 0.00000 0.03231 0.00000 -0.01074
|
|
88 21H+4 0.00000 -0.00122 0.00000 0.03108 0.00000
|
|
89 21H-4 0.00000 0.03873 0.00000 0.00200 0.00000
|
|
90 21H+5 0.03145 0.00000 0.00453 0.00000 -0.01878
|
|
91 21H-5 -0.00100 0.00000 -0.01828 0.00000 0.00176
|
|
92 2 O 1S -0.02002 0.00000 -0.03798 0.00000 0.02096
|
|
93 2S 0.01091 0.00000 0.05234 0.00000 -0.00766
|
|
94 3S -0.16960 0.00000 -0.14009 0.00000 0.13209
|
|
95 4S 1.75916 0.00000 1.98901 0.00000 -0.14247
|
|
96 5S -7.19505 0.00000 -7.40726 0.00000 -4.59518
|
|
97 6S -2.95092 0.00000 -8.33883 0.00000 -2.32047
|
|
98 7PX -0.01106 0.00000 -0.02709 0.00000 -0.03391
|
|
99 7PY -0.05119 0.00000 0.05814 0.00000 -0.02253
|
|
100 7PZ 0.00000 -0.01067 0.00000 0.00989 0.00000
|
|
101 8PX 0.18623 0.00000 0.29593 0.00000 0.09212
|
|
102 8PY 0.00636 0.00000 0.00731 0.00000 -0.08115
|
|
103 8PZ 0.00000 -0.03805 0.00000 0.03069 0.00000
|
|
104 9PX -0.53790 0.00000 -2.04851 0.00000 -1.27404
|
|
105 9PY -1.12539 0.00000 0.91290 0.00000 -0.27454
|
|
106 9PZ 0.00000 0.04902 0.00000 0.38380 0.00000
|
|
107 10PX -10.01967 0.00000 -6.21472 0.00000 -1.04888
|
|
108 10PY 7.55055 0.00000 3.79009 0.00000 4.56095
|
|
109 10PZ 0.00000 -1.33836 0.00000 -3.83283 0.00000
|
|
110 11PX -1.20838 0.00000 -1.18979 0.00000 -0.07357
|
|
111 11PY 0.97134 0.00000 -0.07446 0.00000 0.91821
|
|
112 11PZ 0.00000 -0.28271 0.00000 -1.00214 0.00000
|
|
113 12D 0 -0.01166 0.00000 -0.02726 0.00000 0.02950
|
|
114 12D+1 0.00000 -0.00362 0.00000 0.01321 0.00000
|
|
115 12D-1 0.00000 0.00815 0.00000 0.03959 0.00000
|
|
116 12D+2 0.00256 0.00000 0.00764 0.00000 0.00056
|
|
117 12D-2 0.00321 0.00000 0.00814 0.00000 -0.01303
|
|
118 13D 0 -0.00867 0.00000 0.02410 0.00000 -0.08005
|
|
119 13D+1 0.00000 0.01075 0.00000 -0.03103 0.00000
|
|
120 13D-1 0.00000 -0.02028 0.00000 -0.05253 0.00000
|
|
121 13D+2 0.04486 0.00000 0.00650 0.00000 0.05116
|
|
122 13D-2 -0.02628 0.00000 -0.07472 0.00000 -0.01161
|
|
123 14D 0 0.19525 0.00000 0.08974 0.00000 0.86379
|
|
124 14D+1 0.00000 -0.12346 0.00000 0.28778 0.00000
|
|
125 14D-1 0.00000 0.21824 0.00000 0.92096 0.00000
|
|
126 14D+2 -0.24768 0.00000 -0.51368 0.00000 -0.25070
|
|
127 14D-2 0.38905 0.00000 0.91360 0.00000 -0.13008
|
|
128 15D 0 1.30950 0.00000 1.77176 0.00000 -1.24116
|
|
129 15D+1 0.00000 -1.56678 0.00000 -1.02143 0.00000
|
|
130 15D-1 0.00000 -0.12165 0.00000 -3.48828 0.00000
|
|
131 15D+2 -5.63791 0.00000 -1.46567 0.00000 -2.65816
|
|
132 15D-2 0.66405 0.00000 2.65127 0.00000 3.59546
|
|
133 16F 0 0.00000 0.00703 0.00000 0.02150 0.00000
|
|
134 16F+1 0.02338 0.00000 -0.01254 0.00000 -0.01041
|
|
135 16F-1 -0.01250 0.00000 -0.00580 0.00000 -0.02451
|
|
136 16F+2 0.00000 -0.01241 0.00000 0.01226 0.00000
|
|
137 16F-2 0.00000 -0.03281 0.00000 -0.00802 0.00000
|
|
138 16F+3 0.01031 0.00000 0.00050 0.00000 -0.01579
|
|
139 16F-3 -0.02162 0.00000 -0.01016 0.00000 -0.00044
|
|
140 17F 0 0.00000 -0.03582 0.00000 -0.11998 0.00000
|
|
141 17F+1 -0.08564 0.00000 0.11355 0.00000 0.07570
|
|
142 17F-1 0.06184 0.00000 0.00228 0.00000 0.11178
|
|
143 17F+2 0.00000 0.04664 0.00000 -0.07495 0.00000
|
|
144 17F-2 0.00000 0.14554 0.00000 0.03859 0.00000
|
|
145 17F+3 -0.08269 0.00000 -0.04803 0.00000 0.07979
|
|
146 17F-3 0.13675 0.00000 0.12361 0.00000 0.03327
|
|
147 18F 0 0.00000 0.42073 0.00000 1.17207 0.00000
|
|
148 18F+1 1.68213 0.00000 0.39115 0.00000 -0.29515
|
|
149 18F-1 -0.87292 0.00000 -0.48084 0.00000 -1.03502
|
|
150 18F+2 0.00000 -0.59079 0.00000 0.94876 0.00000
|
|
151 18F-2 0.00000 -0.84256 0.00000 -0.35647 0.00000
|
|
152 18F+3 -0.15479 0.00000 0.03435 0.00000 -1.59351
|
|
153 18F-3 -0.19109 0.00000 1.04226 0.00000 -0.05363
|
|
154 19G 0 0.00036 0.00000 0.00231 0.00000 -0.00781
|
|
155 19G+1 0.00000 -0.00171 0.00000 -0.00155 0.00000
|
|
156 19G-1 0.00000 -0.00169 0.00000 -0.02033 0.00000
|
|
157 19G+2 -0.01225 0.00000 0.00572 0.00000 -0.00333
|
|
158 19G-2 -0.00187 0.00000 0.00157 0.00000 0.00382
|
|
159 19G+3 0.00000 0.00307 0.00000 -0.00013 0.00000
|
|
160 19G-3 0.00000 -0.00152 0.00000 -0.01347 0.00000
|
|
161 19G+4 -0.00684 0.00000 -0.00721 0.00000 -0.00124
|
|
162 19G-4 -0.00610 0.00000 0.00194 0.00000 0.01822
|
|
163 20G 0 -0.04293 0.00000 -0.07252 0.00000 0.03616
|
|
164 20G+1 0.00000 0.02609 0.00000 0.00840 0.00000
|
|
165 20G-1 0.00000 0.00769 0.00000 0.14188 0.00000
|
|
166 20G+2 0.13318 0.00000 0.01360 0.00000 0.04457
|
|
167 20G-2 -0.01735 0.00000 -0.07313 0.00000 -0.04058
|
|
168 20G+3 0.00000 -0.03539 0.00000 -0.00107 0.00000
|
|
169 20G-3 0.00000 0.01946 0.00000 0.09157 0.00000
|
|
170 20G+4 0.00106 0.00000 0.05953 0.00000 -0.01282
|
|
171 20G-4 0.10552 0.00000 0.11125 0.00000 -0.09644
|
|
172 21H 0 0.00000 -0.00380 0.00000 -0.01131 0.00000
|
|
173 21H+1 -0.01481 0.00000 -0.00655 0.00000 0.00414
|
|
174 21H-1 0.00610 0.00000 0.00060 0.00000 0.00310
|
|
175 21H+2 0.00000 0.00220 0.00000 -0.01311 0.00000
|
|
176 21H-2 0.00000 0.00033 0.00000 0.00224 0.00000
|
|
177 21H+3 0.00441 0.00000 -0.00044 0.00000 0.00835
|
|
178 21H-3 -0.00483 0.00000 -0.01400 0.00000 0.00656
|
|
179 21H+4 0.00000 -0.00459 0.00000 -0.01462 0.00000
|
|
180 21H-4 0.00000 0.00173 0.00000 0.00071 0.00000
|
|
181 21H+5 -0.00730 0.00000 0.01113 0.00000 0.00789
|
|
182 21H-5 0.01178 0.00000 0.00769 0.00000 0.00840
|
|
183 3 H 1S 0.00471 0.00000 -0.01649 0.00000 0.00086
|
|
184 2S -0.01339 0.00000 -0.36615 0.00000 0.30418
|
|
185 3S -0.81072 0.00000 2.71399 0.00000 -0.80287
|
|
186 4S 2.98448 0.00000 6.32701 0.00000 -0.83992
|
|
187 5S -0.17369 0.00000 -0.09470 0.00000 -0.02025
|
|
188 6PX -0.00955 0.00000 -0.02069 0.00000 0.00497
|
|
189 6PY -0.03063 0.00000 0.02188 0.00000 -0.01891
|
|
190 6PZ 0.00000 0.04571 0.00000 -0.01401 0.00000
|
|
191 7PX 0.07750 0.00000 0.14911 0.00000 0.01090
|
|
192 7PY 0.17465 0.00000 -0.12651 0.00000 0.10971
|
|
193 7PZ 0.00000 -0.25348 0.00000 0.08308 0.00000
|
|
194 8PX -1.05751 0.00000 0.69092 0.00000 -1.00850
|
|
195 8PY -0.78072 0.00000 0.39954 0.00000 -1.14559
|
|
196 8PZ 0.00000 1.67473 0.00000 -0.58710 0.00000
|
|
197 9PX 1.07948 0.00000 3.05516 0.00000 -0.88219
|
|
198 9PY -0.94205 0.00000 -0.47742 0.00000 -0.36381
|
|
199 9PZ 0.00000 1.92343 0.00000 -0.46254 0.00000
|
|
200 10D 0 -0.01049 0.00000 -0.01119 0.00000 -0.01484
|
|
201 10D+1 0.00000 0.01974 0.00000 -0.00040 0.00000
|
|
202 10D-1 0.00000 -0.01397 0.00000 -0.01005 0.00000
|
|
203 10D+2 0.01829 0.00000 0.01742 0.00000 0.02741
|
|
204 10D-2 -0.01015 0.00000 -0.00209 0.00000 0.00055
|
|
205 11D 0 0.09112 0.00000 -0.00723 0.00000 0.09598
|
|
206 11D+1 0.00000 -0.12065 0.00000 -0.00075 0.00000
|
|
207 11D-1 0.00000 0.07335 0.00000 0.05515 0.00000
|
|
208 11D+2 -0.11479 0.00000 -0.00743 0.00000 -0.20333
|
|
209 11D-2 0.07728 0.00000 -0.04716 0.00000 -0.00932
|
|
210 12D 0 -0.39179 0.00000 -0.06313 0.00000 0.01166
|
|
211 12D+1 0.00000 1.60811 0.00000 -0.54436 0.00000
|
|
212 12D-1 0.00000 -0.54689 0.00000 -0.15425 0.00000
|
|
213 12D+2 -0.41020 0.00000 0.72634 0.00000 -0.68674
|
|
214 12D-2 -0.61934 0.00000 0.02612 0.00000 -0.44512
|
|
215 13F 0 0.00000 -0.01467 0.00000 -0.01112 0.00000
|
|
216 13F+1 0.00535 0.00000 -0.01498 0.00000 0.00892
|
|
217 13F-1 -0.00866 0.00000 0.01486 0.00000 0.02114
|
|
218 13F+2 0.00000 -0.00567 0.00000 -0.01045 0.00000
|
|
219 13F-2 0.00000 -0.00277 0.00000 -0.00272 0.00000
|
|
220 13F+3 0.00406 0.00000 0.00791 0.00000 0.00607
|
|
221 13F-3 -0.01499 0.00000 -0.00735 0.00000 0.00635
|
|
222 14F 0 0.00000 -0.00429 0.00000 0.11761 0.00000
|
|
223 14F+1 0.02022 0.00000 0.08126 0.00000 -0.00430
|
|
224 14F-1 0.07692 0.00000 -0.09296 0.00000 -0.12438
|
|
225 14F+2 0.00000 0.15006 0.00000 0.00715 0.00000
|
|
226 14F-2 0.00000 -0.05360 0.00000 0.05143 0.00000
|
|
227 14F+3 -0.15158 0.00000 -0.01993 0.00000 -0.24955
|
|
228 14F-3 0.06986 0.00000 0.07167 0.00000 -0.01705
|
|
229 15G 0 -0.00192 0.00000 -0.00007 0.00000 -0.00169
|
|
230 15G+1 0.00000 -0.00977 0.00000 0.00299 0.00000
|
|
231 15G-1 0.00000 0.00465 0.00000 -0.00208 0.00000
|
|
232 15G+2 0.00486 0.00000 -0.00076 0.00000 0.00356
|
|
233 15G-2 0.00148 0.00000 0.00118 0.00000 -0.00062
|
|
234 15G+3 0.00000 0.00766 0.00000 -0.00483 0.00000
|
|
235 15G-3 0.00000 -0.00792 0.00000 0.00332 0.00000
|
|
236 15G+4 -0.00664 0.00000 0.00316 0.00000 -0.01126
|
|
237 15G-4 -0.00358 0.00000 0.00574 0.00000 0.00729
|
|
238 4 H 1S -0.03183 0.00000 -0.02319 0.00000 -0.01035
|
|
239 2S -0.18984 0.00000 -0.83842 0.00000 -0.59086
|
|
240 3S 12.41623 0.00000 11.46436 0.00000 5.85143
|
|
241 4S 3.75143 0.00000 4.56839 0.00000 3.05874
|
|
242 5S 0.36427 0.00000 0.03870 0.00000 0.12017
|
|
243 6PX 0.02542 0.00000 0.02510 0.00000 0.00231
|
|
244 6PY -0.01131 0.00000 -0.02285 0.00000 -0.01952
|
|
245 6PZ 0.00000 0.02029 0.00000 0.01129 0.00000
|
|
246 7PX -0.14190 0.00000 -0.02967 0.00000 0.03908
|
|
247 7PY 0.04470 0.00000 0.11570 0.00000 0.07764
|
|
248 7PZ 0.00000 -0.11618 0.00000 -0.05597 0.00000
|
|
249 8PX -3.45557 0.00000 -4.74098 0.00000 -2.14247
|
|
250 8PY 1.40180 0.00000 -0.05704 0.00000 0.40189
|
|
251 8PZ 0.00000 1.15976 0.00000 0.45524 0.00000
|
|
252 9PX -1.80324 0.00000 -3.16274 0.00000 -2.45619
|
|
253 9PY 0.65570 0.00000 -0.29533 0.00000 0.22279
|
|
254 9PZ 0.00000 0.51539 0.00000 0.40874 0.00000
|
|
255 10D 0 0.01101 0.00000 0.03075 0.00000 -0.00031
|
|
256 10D+1 0.00000 0.00046 0.00000 -0.01211 0.00000
|
|
257 10D-1 0.00000 0.01475 0.00000 -0.00498 0.00000
|
|
258 10D+2 -0.00462 0.00000 -0.03241 0.00000 -0.00244
|
|
259 10D-2 0.02749 0.00000 0.01060 0.00000 0.01092
|
|
260 11D 0 -0.24565 0.00000 -0.39163 0.00000 -0.07523
|
|
261 11D+1 0.00000 -0.02943 0.00000 0.05931 0.00000
|
|
262 11D-1 0.00000 -0.06857 0.00000 0.01708 0.00000
|
|
263 11D+2 0.26760 0.00000 0.54413 0.00000 0.05074
|
|
264 11D-2 -0.33146 0.00000 -0.21109 0.00000 -0.17864
|
|
265 12D 0 -0.20902 0.00000 -0.42787 0.00000 -0.18877
|
|
266 12D+1 0.00000 -0.65110 0.00000 -0.34233 0.00000
|
|
267 12D-1 0.00000 0.66603 0.00000 0.31011 0.00000
|
|
268 12D+2 -0.12299 0.00000 1.54300 0.00000 1.00479
|
|
269 12D-2 0.21162 0.00000 0.38224 0.00000 -0.47884
|
|
270 13F 0 0.00000 0.00380 0.00000 -0.00084 0.00000
|
|
271 13F+1 0.01491 0.00000 0.01690 0.00000 0.03106
|
|
272 13F-1 0.00317 0.00000 -0.01627 0.00000 -0.01301
|
|
273 13F+2 0.00000 0.00472 0.00000 0.01825 0.00000
|
|
274 13F-2 0.00000 -0.01296 0.00000 0.01137 0.00000
|
|
275 13F+3 -0.01404 0.00000 -0.03783 0.00000 0.00733
|
|
276 13F-3 0.01087 0.00000 0.02141 0.00000 0.00557
|
|
277 14F 0 0.00000 -0.11033 0.00000 -0.00903 0.00000
|
|
278 14F+1 0.12014 0.00000 0.26965 0.00000 -0.11019
|
|
279 14F-1 -0.10855 0.00000 0.06756 0.00000 0.05760
|
|
280 14F+2 0.00000 0.00964 0.00000 -0.12146 0.00000
|
|
281 14F-2 0.00000 -0.03017 0.00000 -0.09425 0.00000
|
|
282 14F+3 0.04677 0.00000 -0.26257 0.00000 -0.10569
|
|
283 14F-3 0.05633 0.00000 0.05578 0.00000 0.15221
|
|
284 15G 0 0.00765 0.00000 0.00916 0.00000 0.00189
|
|
285 15G+1 0.00000 0.00701 0.00000 0.00123 0.00000
|
|
286 15G-1 0.00000 -0.00562 0.00000 -0.00258 0.00000
|
|
287 15G+2 -0.00539 0.00000 -0.01756 0.00000 -0.00849
|
|
288 15G-2 0.00744 0.00000 0.00125 0.00000 -0.00238
|
|
289 15G+3 0.00000 0.00198 0.00000 0.00090 0.00000
|
|
290 15G-3 0.00000 0.00747 0.00000 -0.00159 0.00000
|
|
291 15G+4 -0.00342 0.00000 0.02334 0.00000 0.00089
|
|
292 15G-4 0.00048 0.00000 -0.01115 0.00000 -0.00704
|
|
293 5 H 1S 0.00325 0.00664 0.00032 0.00024 0.00517
|
|
294 2S 0.18438 0.08050 -0.15535 0.06566 -0.00662
|
|
295 3S 0.84319 -2.64247 -0.03795 0.04712 -0.39990
|
|
296 4S 2.67054 -4.17319 -0.78203 -3.34932 0.18631
|
|
297 5S 0.13938 0.13540 0.07258 0.26379 -0.19302
|
|
298 6PX 0.00342 -0.02105 0.01314 0.00428 0.01636
|
|
299 6PY -0.03051 0.02445 0.03078 -0.00700 -0.00718
|
|
300 6PZ -0.00275 -0.00294 -0.01207 -0.01467 -0.00566
|
|
301 7PX -0.03128 0.12577 -0.05602 -0.02577 -0.08377
|
|
302 7PY 0.16386 -0.13953 -0.18952 0.03055 0.05971
|
|
303 7PZ -0.00588 0.03099 0.07885 0.07936 0.03721
|
|
304 8PX 0.37162 -0.19713 0.14431 0.32538 0.71672
|
|
305 8PY -1.20462 1.51436 1.81558 -0.57955 -0.23275
|
|
306 8PZ 0.13882 0.71827 -0.69553 -0.41645 0.22261
|
|
307 9PX 0.07859 -0.23477 -0.08698 0.65629 0.39499
|
|
308 9PY -1.54057 1.83951 1.43249 0.12870 0.27984
|
|
309 9PZ -0.26781 1.48570 -0.26707 0.63808 -0.26484
|
|
310 10D 0 0.01330 -0.01540 0.00140 -0.00037 0.00607
|
|
311 10D+1 0.00967 -0.00529 -0.02224 0.00464 -0.00548
|
|
312 10D-1 0.01295 -0.00561 0.00669 0.01377 -0.00435
|
|
313 10D+2 0.00023 0.00567 -0.01064 -0.01037 0.00490
|
|
314 10D-2 0.00705 0.00233 0.00113 0.00882 -0.01202
|
|
315 11D 0 -0.06520 0.04783 0.00465 -0.01310 -0.07316
|
|
316 11D+1 -0.06260 -0.02607 0.15641 -0.03016 0.00950
|
|
317 11D-1 -0.08115 -0.02819 -0.07659 -0.08201 0.02427
|
|
318 11D+2 0.00587 -0.03834 0.08874 0.03843 -0.02508
|
|
319 11D-2 -0.04843 -0.04505 -0.02158 -0.05446 0.06914
|
|
320 12D 0 -0.26917 -0.37975 0.92116 0.14708 0.24859
|
|
321 12D+1 -0.18526 0.26341 -0.16632 -0.14569 -0.38870
|
|
322 12D-1 0.74230 -0.86356 -0.78557 0.47746 -0.00259
|
|
323 12D+2 -0.72141 0.70115 0.65820 -0.36064 -0.28928
|
|
324 12D-2 0.12641 -0.18525 -0.50542 0.23089 -0.15670
|
|
325 13F 0 -0.00387 0.00526 -0.00120 0.00197 0.00576
|
|
326 13F+1 -0.00156 0.00243 -0.00847 0.00107 0.00567
|
|
327 13F-1 -0.00466 0.01065 0.00330 0.01101 -0.00425
|
|
328 13F+2 0.00156 -0.00219 0.00464 0.00130 0.00064
|
|
329 13F-2 -0.00042 0.01541 0.00592 -0.01012 0.00460
|
|
330 13F+3 -0.00670 0.01077 0.00318 0.00512 0.00003
|
|
331 13F-3 -0.00647 -0.00111 -0.00592 0.02439 -0.00641
|
|
332 14F 0 0.06672 -0.02805 -0.12849 -0.02577 -0.03525
|
|
333 14F+1 0.08221 -0.05977 -0.06524 -0.00202 0.02432
|
|
334 14F-1 0.04417 -0.00693 0.02146 -0.05747 -0.01394
|
|
335 14F+2 0.07016 -0.07846 -0.18389 0.02239 0.06018
|
|
336 14F-2 0.02548 -0.07734 0.05154 0.11075 -0.06122
|
|
337 14F+3 0.07124 -0.10948 -0.10942 -0.02181 0.04091
|
|
338 14F-3 0.07965 -0.00831 0.04149 -0.12744 0.04429
|
|
339 15G 0 -0.00098 -0.00356 0.00669 -0.00031 0.00262
|
|
340 15G+1 -0.00512 0.00186 0.00839 0.00081 -0.00365
|
|
341 15G-1 -0.00165 -0.00163 0.00509 -0.00042 0.00637
|
|
342 15G+2 -0.00588 0.00515 0.00743 -0.00220 -0.00412
|
|
343 15G-2 -0.00219 0.00194 -0.00203 -0.00359 0.00222
|
|
344 15G+3 -0.00394 0.00298 0.00673 -0.00043 -0.00410
|
|
345 15G-3 -0.00258 0.00458 -0.00213 -0.00476 -0.00134
|
|
346 15G+4 -0.00043 0.00026 0.00209 -0.00175 -0.00208
|
|
347 15G-4 -0.00218 0.00159 -0.00052 -0.00216 -0.00020
|
|
348 6 H 1S 0.00325 -0.00664 0.00032 -0.00024 0.00517
|
|
349 2S 0.18438 -0.08050 -0.15535 -0.06566 -0.00662
|
|
350 3S 0.84319 2.64247 -0.03795 -0.04712 -0.39990
|
|
351 4S 2.67054 4.17319 -0.78203 3.34932 0.18631
|
|
352 5S 0.13938 -0.13540 0.07258 -0.26379 -0.19302
|
|
353 6PX 0.00342 0.02105 0.01314 -0.00428 0.01636
|
|
354 6PY -0.03051 -0.02445 0.03078 0.00700 -0.00718
|
|
355 6PZ 0.00275 -0.00294 0.01207 -0.01467 0.00566
|
|
356 7PX -0.03128 -0.12577 -0.05602 0.02577 -0.08377
|
|
357 7PY 0.16386 0.13953 -0.18952 -0.03055 0.05971
|
|
358 7PZ 0.00588 0.03099 -0.07885 0.07936 -0.03721
|
|
359 8PX 0.37162 0.19713 0.14431 -0.32538 0.71672
|
|
360 8PY -1.20462 -1.51436 1.81558 0.57955 -0.23275
|
|
361 8PZ -0.13882 0.71827 0.69553 -0.41645 -0.22261
|
|
362 9PX 0.07859 0.23477 -0.08698 -0.65629 0.39499
|
|
363 9PY -1.54057 -1.83951 1.43249 -0.12870 0.27984
|
|
364 9PZ 0.26781 1.48570 0.26707 0.63808 0.26484
|
|
365 10D 0 0.01330 0.01540 0.00140 0.00037 0.00607
|
|
366 10D+1 -0.00967 -0.00529 0.02224 0.00464 0.00548
|
|
367 10D-1 -0.01295 -0.00561 -0.00669 0.01377 0.00435
|
|
368 10D+2 0.00023 -0.00567 -0.01064 0.01037 0.00490
|
|
369 10D-2 0.00705 -0.00233 0.00113 -0.00882 -0.01202
|
|
370 11D 0 -0.06520 -0.04783 0.00465 0.01310 -0.07316
|
|
371 11D+1 0.06260 -0.02607 -0.15641 -0.03016 -0.00950
|
|
372 11D-1 0.08115 -0.02819 0.07659 -0.08201 -0.02427
|
|
373 11D+2 0.00587 0.03834 0.08874 -0.03843 -0.02508
|
|
374 11D-2 -0.04843 0.04505 -0.02158 0.05446 0.06914
|
|
375 12D 0 -0.26917 0.37975 0.92116 -0.14708 0.24859
|
|
376 12D+1 0.18526 0.26341 0.16632 -0.14569 0.38870
|
|
377 12D-1 -0.74230 -0.86356 0.78557 0.47746 0.00259
|
|
378 12D+2 -0.72141 -0.70115 0.65820 0.36064 -0.28928
|
|
379 12D-2 0.12641 0.18525 -0.50542 -0.23089 -0.15670
|
|
380 13F 0 0.00387 0.00526 0.00120 0.00197 -0.00576
|
|
381 13F+1 -0.00156 -0.00243 -0.00847 -0.00107 0.00567
|
|
382 13F-1 -0.00466 -0.01065 0.00330 -0.01101 -0.00425
|
|
383 13F+2 -0.00156 -0.00219 -0.00464 0.00130 -0.00064
|
|
384 13F-2 0.00042 0.01541 -0.00592 -0.01012 -0.00460
|
|
385 13F+3 -0.00670 -0.01077 0.00318 -0.00512 0.00003
|
|
386 13F-3 -0.00647 0.00111 -0.00592 -0.02439 -0.00641
|
|
387 14F 0 -0.06672 -0.02805 0.12849 -0.02577 0.03525
|
|
388 14F+1 0.08221 0.05977 -0.06524 0.00202 0.02432
|
|
389 14F-1 0.04417 0.00693 0.02146 0.05747 -0.01394
|
|
390 14F+2 -0.07016 -0.07846 0.18389 0.02239 -0.06018
|
|
391 14F-2 -0.02548 -0.07734 -0.05154 0.11075 0.06122
|
|
392 14F+3 0.07124 0.10948 -0.10942 0.02181 0.04091
|
|
393 14F-3 0.07965 0.00831 0.04149 0.12744 0.04429
|
|
394 15G 0 -0.00098 0.00356 0.00669 0.00031 0.00262
|
|
395 15G+1 0.00512 0.00186 -0.00839 0.00081 0.00365
|
|
396 15G-1 0.00165 -0.00163 -0.00509 -0.00042 -0.00637
|
|
397 15G+2 -0.00588 -0.00515 0.00743 0.00220 -0.00412
|
|
398 15G-2 -0.00219 -0.00194 -0.00203 0.00359 0.00222
|
|
399 15G+3 0.00394 0.00298 -0.00673 -0.00043 0.00410
|
|
400 15G-3 0.00258 0.00458 0.00213 -0.00476 0.00134
|
|
401 15G+4 -0.00043 -0.00026 0.00209 0.00175 -0.00208
|
|
402 15G-4 -0.00218 -0.00159 -0.00052 0.00216 -0.00020
|
|
111 112 113 114 115
|
|
V V V V V
|
|
Eigenvalues -- 3.41154 3.43276 3.48134 3.52307 3.52625
|
|
1 1 C 1S 0.02385 0.00000 0.00643 -0.00039 0.00000
|
|
2 2S -0.04105 0.00000 0.00163 -0.00341 0.00000
|
|
3 3S 0.14810 0.00000 0.11267 -0.00511 0.00000
|
|
4 4S -2.81093 0.00000 -1.25681 0.09241 0.00000
|
|
5 5S 5.36009 0.00000 -0.21035 1.44120 0.00000
|
|
6 6S -1.55255 0.00000 -1.31366 0.71543 0.00000
|
|
7 7PX -0.00376 0.00000 0.03188 0.04826 0.00000
|
|
8 7PY 0.08632 0.00000 -0.01394 0.01858 0.00000
|
|
9 7PZ 0.00000 0.07363 0.00000 0.00000 -0.02900
|
|
10 8PX -0.35249 0.00000 -1.38044 0.59674 0.00000
|
|
11 8PY -0.29103 0.00000 -0.41207 -0.09924 0.00000
|
|
12 8PZ 0.00000 -0.93670 0.00000 0.00000 -1.09660
|
|
13 9PX 3.02631 0.00000 12.87680 -7.56860 0.00000
|
|
14 9PY 4.30456 0.00000 3.23988 0.32169 0.00000
|
|
15 9PZ 0.00000 10.45707 0.00000 0.00000 11.65295
|
|
16 10PX 0.05672 0.00000 13.02098 5.73066 0.00000
|
|
17 10PY -0.99883 0.00000 -0.03360 2.83429 0.00000
|
|
18 10PZ 0.00000 11.10371 0.00000 0.00000 -2.46473
|
|
19 11PX -0.01442 0.00000 -0.34339 0.24077 0.00000
|
|
20 11PY -0.09947 0.00000 0.04038 0.01689 0.00000
|
|
21 11PZ 0.00000 -0.05685 0.00000 0.00000 -0.23610
|
|
22 12D 0 -0.00196 0.00000 -0.04843 0.01076 0.00000
|
|
23 12D+1 0.00000 -0.02933 0.00000 0.00000 -0.01849
|
|
24 12D-1 0.00000 0.01752 0.00000 0.00000 -0.00211
|
|
25 12D+2 0.01406 0.00000 0.00865 -0.00935 0.00000
|
|
26 12D-2 -0.00919 0.00000 0.01034 -0.01111 0.00000
|
|
27 13D 0 -0.10897 0.00000 -0.02929 0.00137 0.00000
|
|
28 13D+1 0.00000 -0.15557 0.00000 0.00000 -0.02100
|
|
29 13D-1 0.00000 -0.13207 0.00000 0.00000 0.04951
|
|
30 13D+2 -0.24301 0.00000 0.10309 -0.02323 0.00000
|
|
31 13D-2 0.08297 0.00000 -0.06380 -0.00434 0.00000
|
|
32 14D 0 3.99479 0.00000 3.16815 -4.75089 0.00000
|
|
33 14D+1 0.00000 2.91560 0.00000 0.00000 7.10342
|
|
34 14D-1 0.00000 6.77557 0.00000 0.00000 5.79606
|
|
35 14D+2 3.60296 0.00000 -2.32124 3.46513 0.00000
|
|
36 14D-2 0.74873 0.00000 6.52196 -3.97807 0.00000
|
|
37 15D 0 0.82709 0.00000 0.49534 0.80283 0.00000
|
|
38 15D+1 0.00000 0.70374 0.00000 0.00000 0.38939
|
|
39 15D-1 0.00000 4.70126 0.00000 0.00000 2.02004
|
|
40 15D+2 0.58041 0.00000 -1.47026 0.42680 0.00000
|
|
41 15D-2 -0.12663 0.00000 4.30031 -2.76886 0.00000
|
|
42 16F 0 0.00000 -0.03411 0.00000 0.00000 -0.00467
|
|
43 16F+1 -0.04323 0.00000 -0.01455 -0.00589 0.00000
|
|
44 16F-1 -0.00106 0.00000 -0.04250 0.00462 0.00000
|
|
45 16F+2 0.00000 -0.02454 0.00000 0.00000 0.01935
|
|
46 16F-2 0.00000 -0.06422 0.00000 0.00000 -0.00739
|
|
47 16F+3 0.03817 0.00000 -0.03601 0.01806 0.00000
|
|
48 16F-3 0.01960 0.00000 0.02538 0.00723 0.00000
|
|
49 17F 0 0.00000 0.26709 0.00000 0.00000 0.12925
|
|
50 17F+1 0.45975 0.00000 0.15930 0.03153 0.00000
|
|
51 17F-1 0.07845 0.00000 0.52819 -0.34783 0.00000
|
|
52 17F+2 0.00000 0.13239 0.00000 0.00000 -0.16286
|
|
53 17F-2 0.00000 0.70077 0.00000 0.00000 0.55192
|
|
54 17F+3 -0.22128 0.00000 0.37080 -0.19074 0.00000
|
|
55 17F-3 -0.22163 0.00000 -0.37634 0.13237 0.00000
|
|
56 18F 0 0.00000 1.12660 0.00000 0.00000 1.53650
|
|
57 18F+1 2.54198 0.00000 0.38566 -0.36523 0.00000
|
|
58 18F-1 0.21535 0.00000 1.80840 -2.32561 0.00000
|
|
59 18F+2 0.00000 0.44505 0.00000 0.00000 0.42638
|
|
60 18F-2 0.00000 0.68043 0.00000 0.00000 2.89251
|
|
61 18F+3 -0.62186 0.00000 0.49607 -1.94100 0.00000
|
|
62 18F-3 -0.79163 0.00000 -0.70668 1.71127 0.00000
|
|
63 19G 0 -0.00685 0.00000 -0.01420 0.02666 0.00000
|
|
64 19G+1 0.00000 -0.00755 0.00000 0.00000 0.04745
|
|
65 19G-1 0.00000 0.02063 0.00000 0.00000 0.04281
|
|
66 19G+2 0.02360 0.00000 -0.00632 -0.01841 0.00000
|
|
67 19G-2 -0.02019 0.00000 0.01319 -0.03764 0.00000
|
|
68 19G+3 0.00000 0.01178 0.00000 0.00000 -0.02203
|
|
69 19G-3 0.00000 0.02355 0.00000 0.00000 0.04133
|
|
70 19G+4 0.00330 0.00000 -0.00845 0.01355 0.00000
|
|
71 19G-4 0.01289 0.00000 0.01780 -0.04768 0.00000
|
|
72 20G 0 -0.03624 0.00000 -0.54225 -0.33782 0.00000
|
|
73 20G+1 0.00000 0.83534 0.00000 0.00000 -0.21870
|
|
74 20G-1 0.00000 0.26233 0.00000 0.00000 0.08251
|
|
75 20G+2 -0.20925 0.00000 0.69187 0.13484 0.00000
|
|
76 20G-2 0.55104 0.00000 0.36221 0.36472 0.00000
|
|
77 20G+3 0.00000 -0.35218 0.00000 0.00000 0.05871
|
|
78 20G-3 0.00000 -0.02296 0.00000 0.00000 -0.26173
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335 14F+2 -0.08346 -0.04228 -0.04518 -0.10683 0.04236
|
|
336 14F-2 0.04203 -0.00817 -0.00061 -0.16476 0.24740
|
|
337 14F+3 -0.02102 -0.06966 -0.05492 -0.08067 -0.01672
|
|
338 14F-3 0.05907 0.08114 -0.04981 -0.05816 -0.04615
|
|
339 15G 0 0.00471 0.00306 -0.00607 -0.00508 0.00418
|
|
340 15G+1 0.00523 -0.00514 -0.00903 -0.00194 -0.00699
|
|
341 15G-1 -0.00175 0.00340 -0.00388 -0.00595 -0.00749
|
|
342 15G+2 0.00597 -0.00654 0.00153 0.00398 -0.00053
|
|
343 15G-2 -0.00167 -0.00310 -0.00264 0.00384 -0.00364
|
|
344 15G+3 0.00647 0.00051 0.00114 -0.00202 -0.00102
|
|
345 15G-3 -0.00086 -0.00013 0.00436 0.00711 -0.00077
|
|
346 15G+4 0.00254 -0.00014 -0.00029 -0.00399 -0.00052
|
|
347 15G-4 -0.00016 0.00155 0.00001 0.00291 -0.00173
|
|
348 6 H 1S 0.01259 -0.01308 0.01010 0.01364 0.01677
|
|
349 2S 0.12828 -0.80681 0.52422 -0.01499 -0.29400
|
|
350 3S -5.99074 10.07330 -8.15217 4.15440 11.09857
|
|
351 4S 0.84159 10.42882 -4.84518 -3.23304 -0.73779
|
|
352 5S -0.03208 -0.51745 0.37893 0.12891 0.12703
|
|
353 6PX -0.00880 -0.01397 -0.02004 -0.01768 -0.02069
|
|
354 6PY 0.02184 0.02691 -0.02430 -0.00956 -0.01575
|
|
355 6PZ 0.01193 -0.00979 -0.01029 0.02268 0.03733
|
|
356 7PX 0.03818 0.10767 0.10354 0.16349 0.17580
|
|
357 7PY -0.12517 -0.11577 0.11118 0.09056 0.14574
|
|
358 7PZ -0.06054 0.02052 0.10330 -0.17390 -0.33779
|
|
359 8PX 0.91254 -2.74671 0.58506 -2.28321 -2.61432
|
|
360 8PY 1.97686 -1.17241 0.68626 -1.09688 -2.11867
|
|
361 8PZ -1.51267 3.04715 -3.38320 1.43372 5.18440
|
|
362 9PX 0.04766 -3.23997 -0.19972 -0.26926 -0.16731
|
|
363 9PY 1.06025 -0.84028 -0.10792 1.00846 0.64132
|
|
364 9PZ 0.56602 3.71359 -3.00669 -0.85381 0.76906
|
|
365 10D 0 0.00783 0.01125 0.00263 0.01394 -0.03451
|
|
366 10D+1 -0.01054 0.00412 -0.01228 0.03556 0.03246
|
|
367 10D-1 -0.01002 0.02840 -0.02988 0.02082 0.03570
|
|
368 10D+2 0.01624 0.02394 -0.00715 -0.01339 0.00445
|
|
369 10D-2 0.00404 -0.01710 0.01284 -0.01515 -0.02584
|
|
370 11D 0 -0.11749 0.04734 -0.12536 -0.11624 0.29572
|
|
371 11D+1 0.15934 -0.20690 0.17390 -0.25088 -0.28448
|
|
372 11D-1 0.12221 -0.30621 0.29679 -0.12299 -0.28344
|
|
373 11D+2 -0.11072 -0.12310 0.05750 0.09394 -0.01501
|
|
374 11D-2 -0.06735 0.19175 -0.11912 0.13046 0.17341
|
|
375 12D 0 0.48352 0.57511 -1.48876 -0.20037 1.00568
|
|
376 12D+1 0.10719 -1.38802 0.07534 -0.64594 -0.76650
|
|
377 12D-1 0.56865 -0.23536 0.10875 -0.21102 -0.52973
|
|
378 12D+2 0.76137 0.79020 0.01263 0.44884 0.30546
|
|
379 12D-2 -0.33243 0.41080 0.34675 0.19432 0.40338
|
|
380 13F 0 -0.00774 0.01021 -0.00668 0.00469 -0.00419
|
|
381 13F+1 0.00442 -0.01958 0.01642 0.00392 -0.00950
|
|
382 13F-1 -0.00356 -0.01153 0.00423 0.00895 -0.01110
|
|
383 13F+2 -0.00747 0.01431 0.00326 -0.00034 -0.00244
|
|
384 13F-2 -0.00915 0.02443 -0.00673 -0.00087 -0.01670
|
|
385 13F+3 -0.00311 -0.00466 0.00481 0.01387 -0.00187
|
|
386 13F-3 -0.00366 0.00781 0.00198 -0.00524 -0.01110
|
|
387 14F 0 0.10882 -0.12063 -0.10884 -0.19799 0.11686
|
|
388 14F+1 -0.00611 -0.06294 0.02421 -0.11183 -0.15612
|
|
389 14F-1 0.11497 0.02530 0.13638 -0.04557 -0.12466
|
|
390 14F+2 0.08346 -0.04228 0.04518 0.10683 0.04236
|
|
391 14F-2 -0.04203 -0.00817 0.00061 0.16476 0.24740
|
|
392 14F+3 -0.02102 0.06966 -0.05492 -0.08067 0.01672
|
|
393 14F-3 0.05907 -0.08114 -0.04981 -0.05816 0.04615
|
|
394 15G 0 0.00471 -0.00306 -0.00607 -0.00508 -0.00418
|
|
395 15G+1 -0.00523 -0.00514 0.00903 0.00194 -0.00699
|
|
396 15G-1 0.00175 0.00340 0.00388 0.00595 -0.00749
|
|
397 15G+2 0.00597 0.00654 0.00153 0.00398 0.00053
|
|
398 15G-2 -0.00167 0.00310 -0.00264 0.00384 0.00364
|
|
399 15G+3 -0.00647 0.00051 -0.00114 0.00202 -0.00102
|
|
400 15G-3 0.00086 -0.00013 -0.00436 -0.00711 -0.00077
|
|
401 15G+4 0.00254 0.00014 -0.00029 -0.00399 0.00052
|
|
402 15G-4 -0.00016 -0.00155 0.00001 0.00291 0.00173
|
|
116 117 118 119 120
|
|
V V V V V
|
|
Eigenvalues -- 3.66323 3.71039 3.73657 3.80213 3.83191
|
|
1 1 C 1S 0.00000 0.00000 -0.00850 -0.00566 -0.00084
|
|
2 2S 0.00000 0.00000 -0.05780 -0.07090 0.04448
|
|
3 3S 0.00000 0.00000 -0.31204 -0.53000 0.11746
|
|
4 4S 0.00000 0.00000 -1.66789 3.63225 1.53068
|
|
5 5S 0.00000 0.00000 13.54628 -7.52509 -7.46419
|
|
6 6S 0.00000 0.00000 1.33356 -1.02645 -0.28764
|
|
7 7PX 0.00000 0.00000 -0.00765 -0.00003 0.01607
|
|
8 7PY 0.00000 0.00000 0.05106 0.03939 -0.02127
|
|
9 7PZ 0.01136 0.02436 0.00000 0.00000 0.00000
|
|
10 8PX 0.00000 0.00000 1.12198 -1.78323 -1.54723
|
|
11 8PY 0.00000 0.00000 0.00137 -0.15074 0.06415
|
|
12 8PZ -0.62984 -1.69647 0.00000 0.00000 0.00000
|
|
13 9PX 0.00000 0.00000 -9.03097 16.14372 14.33315
|
|
14 9PY 0.00000 0.00000 1.37589 2.49664 -1.81209
|
|
15 9PZ 5.67904 17.01648 0.00000 0.00000 0.00000
|
|
16 10PX 0.00000 0.00000 -8.53315 16.20164 14.32160
|
|
17 10PY 0.00000 0.00000 1.37673 3.81793 -0.61159
|
|
18 10PZ 5.88878 15.25320 0.00000 0.00000 0.00000
|
|
19 11PX 0.00000 0.00000 -0.02206 0.14980 0.13133
|
|
20 11PY 0.00000 0.00000 -0.04572 -0.11042 0.00470
|
|
21 11PZ -0.25041 -0.13374 0.00000 0.00000 0.00000
|
|
22 12D 0 0.00000 0.00000 0.02429 -0.03415 -0.04183
|
|
23 12D+1 -0.01654 -0.05507 0.00000 0.00000 0.00000
|
|
24 12D-1 -0.00633 -0.06547 0.00000 0.00000 0.00000
|
|
25 12D+2 0.00000 0.00000 -0.00536 0.04415 0.03664
|
|
26 12D-2 0.00000 0.00000 0.02600 -0.02360 -0.03802
|
|
27 13D 0 0.00000 0.00000 -0.15667 -0.17182 0.03556
|
|
28 13D+1 -0.03146 -0.06209 0.00000 0.00000 0.00000
|
|
29 13D-1 -0.00454 -0.00360 0.00000 0.00000 0.00000
|
|
30 13D+2 0.00000 0.00000 -0.18971 -0.24838 0.16245
|
|
31 13D-2 0.00000 0.00000 -0.12441 -0.24130 0.05410
|
|
32 14D 0 0.00000 0.00000 -2.13912 6.83568 3.13271
|
|
33 14D+1 2.02698 6.66471 0.00000 0.00000 0.00000
|
|
34 14D-1 1.83974 6.24545 0.00000 0.00000 0.00000
|
|
35 14D+2 0.00000 0.00000 4.48913 -0.85785 -5.54674
|
|
36 14D-2 0.00000 0.00000 -1.32644 6.54915 3.18283
|
|
37 15D 0 0.00000 0.00000 -1.70176 3.85943 2.61147
|
|
38 15D+1 1.08277 2.71271 0.00000 0.00000 0.00000
|
|
39 15D-1 1.24231 2.71332 0.00000 0.00000 0.00000
|
|
40 15D+2 0.00000 0.00000 2.22801 -0.53769 -2.69425
|
|
41 15D-2 0.00000 0.00000 -0.36606 2.62935 2.42030
|
|
42 16F 0 0.03662 -0.05176 0.00000 0.00000 0.00000
|
|
43 16F+1 0.00000 0.00000 -0.04827 -0.00039 0.02515
|
|
44 16F-1 0.00000 0.00000 0.02096 -0.04510 -0.05511
|
|
45 16F+2 -0.05179 0.01872 0.00000 0.00000 0.00000
|
|
46 16F-2 -0.02666 -0.10566 0.00000 0.00000 0.00000
|
|
47 16F+3 0.00000 0.00000 -0.02639 -0.02604 -0.07045
|
|
48 16F-3 0.00000 0.00000 -0.01640 0.07470 0.01311
|
|
49 17F 0 -0.37513 0.60299 0.00000 0.00000 0.00000
|
|
50 17F+1 0.00000 0.00000 0.55840 0.19907 -0.28032
|
|
51 17F-1 0.00000 0.00000 -0.20078 0.92698 0.68642
|
|
52 17F+2 0.51681 -0.10444 0.00000 0.00000 0.00000
|
|
53 17F-2 0.30814 1.37996 0.00000 0.00000 0.00000
|
|
54 17F+3 0.00000 0.00000 -0.11125 0.27753 0.79214
|
|
55 17F-3 0.00000 0.00000 0.44483 -0.68990 -0.26545
|
|
56 18F 0 -1.69771 0.37057 0.00000 0.00000 0.00000
|
|
57 18F+1 0.00000 0.00000 1.59618 -0.17085 -0.88327
|
|
58 18F-1 0.00000 0.00000 -0.38561 -0.30028 -0.17643
|
|
59 18F+2 1.65087 -1.60414 0.00000 0.00000 0.00000
|
|
60 18F-2 1.02324 1.36853 0.00000 0.00000 0.00000
|
|
61 18F+3 0.00000 0.00000 0.27605 0.25629 1.32679
|
|
62 18F-3 0.00000 0.00000 0.56892 -1.66597 -0.70645
|
|
63 19G 0 0.00000 0.00000 0.03802 -0.02142 -0.00280
|
|
64 19G+1 0.00103 0.06930 0.00000 0.00000 0.00000
|
|
65 19G-1 0.03022 0.00107 0.00000 0.00000 0.00000
|
|
66 19G+2 0.00000 0.00000 -0.03048 0.03202 0.03240
|
|
67 19G-2 0.00000 0.00000 0.01936 0.05348 0.02932
|
|
68 19G+3 -0.03008 -0.02038 0.00000 0.00000 0.00000
|
|
69 19G-3 -0.02807 0.03184 0.00000 0.00000 0.00000
|
|
70 19G+4 0.00000 0.00000 0.02077 -0.02596 0.00555
|
|
71 19G-4 0.00000 0.00000 0.00263 0.00919 0.03867
|
|
72 20G 0 0.00000 0.00000 0.12737 -0.68980 -0.65180
|
|
73 20G+1 0.52172 0.08966 0.00000 0.00000 0.00000
|
|
74 20G-1 -0.55258 1.20222 0.00000 0.00000 0.00000
|
|
75 20G+2 0.00000 0.00000 -0.05442 0.44493 0.43408
|
|
76 20G-2 0.00000 0.00000 -0.14779 -0.09117 -0.05326
|
|
77 20G+3 0.15742 -0.27342 0.00000 0.00000 0.00000
|
|
78 20G-3 1.16698 -0.08697 0.00000 0.00000 0.00000
|
|
79 20G+4 0.00000 0.00000 0.11974 0.14955 -0.66039
|
|
80 20G-4 0.00000 0.00000 -0.75839 0.91638 0.32179
|
|
81 21H 0 0.01437 -0.07523 0.00000 0.00000 0.00000
|
|
82 21H+1 0.00000 0.00000 -0.01952 0.05124 0.01716
|
|
83 21H-1 0.00000 0.00000 0.01249 0.00526 -0.02465
|
|
84 21H+2 0.04782 -0.00619 0.00000 0.00000 0.00000
|
|
85 21H-2 0.03505 0.09288 0.00000 0.00000 0.00000
|
|
86 21H+3 0.00000 0.00000 0.03766 0.00636 -0.06420
|
|
87 21H-3 0.00000 0.00000 -0.00067 0.13776 0.04958
|
|
88 21H+4 -0.02454 -0.02268 0.00000 0.00000 0.00000
|
|
89 21H-4 -0.01363 0.02293 0.00000 0.00000 0.00000
|
|
90 21H+5 0.00000 0.00000 -0.05664 -0.07230 0.05309
|
|
91 21H-5 0.00000 0.00000 0.04508 -0.07149 -0.04746
|
|
92 2 O 1S 0.00000 0.00000 -0.01262 0.02300 -0.01896
|
|
93 2S 0.00000 0.00000 -0.02630 -0.03972 0.01850
|
|
94 3S 0.00000 0.00000 -0.17247 0.05920 -0.10350
|
|
95 4S 0.00000 0.00000 -1.34075 -1.14260 1.08483
|
|
96 5S 0.00000 0.00000 14.36360 5.25191 -3.74194
|
|
97 6S 0.00000 0.00000 6.92588 4.99824 -5.41773
|
|
98 7PX 0.00000 0.00000 0.10977 -0.00963 -0.00754
|
|
99 7PY 0.00000 0.00000 -0.04797 -0.01864 0.02548
|
|
100 7PZ -0.02526 -0.01090 0.00000 0.00000 0.00000
|
|
101 8PX 0.00000 0.00000 -0.17923 -0.23308 0.08013
|
|
102 8PY 0.00000 0.00000 0.07287 -0.09869 -0.00287
|
|
103 8PZ -0.04452 -0.03979 0.00000 0.00000 0.00000
|
|
104 9PX 0.00000 0.00000 3.90920 1.48391 -1.07726
|
|
105 9PY 0.00000 0.00000 -1.46577 -0.52950 1.02255
|
|
106 9PZ -0.09437 0.09336 0.00000 0.00000 0.00000
|
|
107 10PX 0.00000 0.00000 8.51445 -1.33511 -2.55446
|
|
108 10PY 0.00000 0.00000 -4.78576 6.70830 -3.51558
|
|
109 10PZ -2.21245 -2.55979 0.00000 0.00000 0.00000
|
|
110 11PX 0.00000 0.00000 1.04898 -0.05415 -0.29845
|
|
111 11PY 0.00000 0.00000 -0.23651 0.83980 -0.66531
|
|
112 11PZ 0.31710 0.07724 0.00000 0.00000 0.00000
|
|
113 12D 0 0.00000 0.00000 -0.02443 0.01137 0.01104
|
|
114 12D+1 -0.04685 -0.03304 0.00000 0.00000 0.00000
|
|
115 12D-1 0.00693 -0.01443 0.00000 0.00000 0.00000
|
|
116 12D+2 0.00000 0.00000 -0.01326 -0.02874 -0.00890
|
|
117 12D-2 0.00000 0.00000 -0.01886 0.00713 -0.01796
|
|
118 13D 0 0.00000 0.00000 0.10455 -0.01956 -0.04373
|
|
119 13D+1 0.13881 0.08919 0.00000 0.00000 0.00000
|
|
120 13D-1 -0.02140 0.03986 0.00000 0.00000 0.00000
|
|
121 13D+2 0.00000 0.00000 0.01602 0.07614 0.01993
|
|
122 13D-2 0.00000 0.00000 0.10782 -0.02527 0.01179
|
|
123 14D 0 0.00000 0.00000 -1.69301 -0.11039 0.52409
|
|
124 14D+1 -1.22001 -0.78836 0.00000 0.00000 0.00000
|
|
125 14D-1 0.21393 -0.30025 0.00000 0.00000 0.00000
|
|
126 14D+2 0.00000 0.00000 0.92391 -0.23710 -0.73129
|
|
127 14D-2 0.00000 0.00000 -1.96075 -0.15716 -0.04278
|
|
128 15D 0 0.00000 0.00000 -0.33606 -1.15863 0.66905
|
|
129 15D+1 -0.58330 -0.56696 0.00000 0.00000 0.00000
|
|
130 15D-1 0.50683 -0.39740 0.00000 0.00000 0.00000
|
|
131 15D+2 0.00000 0.00000 0.03839 -1.67136 0.50007
|
|
132 15D-2 0.00000 0.00000 -0.77897 1.07818 -0.60201
|
|
133 16F 0 0.00141 0.01103 0.00000 0.00000 0.00000
|
|
134 16F+1 0.00000 0.00000 0.01764 0.00723 -0.00005
|
|
135 16F-1 0.00000 0.00000 -0.00354 -0.02031 0.01073
|
|
136 16F+2 -0.00645 0.00055 0.00000 0.00000 0.00000
|
|
137 16F-2 0.01659 -0.00034 0.00000 0.00000 0.00000
|
|
138 16F+3 0.00000 0.00000 -0.02022 -0.01215 -0.00352
|
|
139 16F-3 0.00000 0.00000 0.02183 0.01795 -0.00740
|
|
140 17F 0 -0.00001 -0.05279 0.00000 0.00000 0.00000
|
|
141 17F+1 0.00000 0.00000 -0.18255 -0.07514 0.02775
|
|
142 17F-1 0.00000 0.00000 0.05205 0.11031 -0.06833
|
|
143 17F+2 0.01548 -0.00528 0.00000 0.00000 0.00000
|
|
144 17F-2 -0.08144 0.00943 0.00000 0.00000 0.00000
|
|
145 17F+3 0.00000 0.00000 0.19247 0.08397 -0.00071
|
|
146 17F-3 0.00000 0.00000 -0.24134 -0.14300 0.06186
|
|
147 18F 0 0.69485 0.77500 0.00000 0.00000 0.00000
|
|
148 18F+1 0.00000 0.00000 -0.29021 0.17789 0.24012
|
|
149 18F-1 0.00000 0.00000 0.43697 -1.13753 0.55014
|
|
150 18F+2 -0.66525 -0.05990 0.00000 0.00000 0.00000
|
|
151 18F-2 1.11750 0.13824 0.00000 0.00000 0.00000
|
|
152 18F+3 0.00000 0.00000 -1.75413 -0.18388 -0.49218
|
|
153 18F-3 0.00000 0.00000 -1.39505 0.51832 0.25274
|
|
154 19G 0 0.00000 0.00000 0.01198 0.00088 -0.00162
|
|
155 19G+1 -0.00040 0.00031 0.00000 0.00000 0.00000
|
|
156 19G-1 -0.00248 -0.00136 0.00000 0.00000 0.00000
|
|
157 19G+2 0.00000 0.00000 -0.01041 -0.00519 0.00434
|
|
158 19G-2 0.00000 0.00000 0.01250 0.00321 -0.00156
|
|
159 19G+3 0.00357 -0.00201 0.00000 0.00000 0.00000
|
|
160 19G-3 -0.00586 -0.00110 0.00000 0.00000 0.00000
|
|
161 19G+4 0.00000 0.00000 0.01531 0.00456 0.00136
|
|
162 19G-4 0.00000 0.00000 0.00675 -0.01395 0.00305
|
|
163 20G 0 0.00000 0.00000 0.00947 0.02654 -0.01583
|
|
164 20G+1 0.05676 0.02597 0.00000 0.00000 0.00000
|
|
165 20G-1 0.00341 0.00990 0.00000 0.00000 0.00000
|
|
166 20G+2 0.00000 0.00000 0.00617 0.00934 -0.00882
|
|
167 20G-2 0.00000 0.00000 0.02380 -0.00098 -0.01191
|
|
168 20G+3 -0.04155 -0.00574 0.00000 0.00000 0.00000
|
|
169 20G-3 0.08056 0.03266 0.00000 0.00000 0.00000
|
|
170 20G+4 0.00000 0.00000 -0.15410 0.02431 -0.01253
|
|
171 20G-4 0.00000 0.00000 -0.25266 0.05686 0.02399
|
|
172 21H 0 -0.00875 -0.00915 0.00000 0.00000 0.00000
|
|
173 21H+1 0.00000 0.00000 0.00250 0.00158 -0.00339
|
|
174 21H-1 0.00000 0.00000 -0.00499 0.00822 -0.00249
|
|
175 21H+2 0.00660 0.00589 0.00000 0.00000 0.00000
|
|
176 21H-2 -0.01202 -0.00207 0.00000 0.00000 0.00000
|
|
177 21H+3 0.00000 0.00000 0.01423 -0.00286 0.00509
|
|
178 21H-3 0.00000 0.00000 0.00840 -0.00371 -0.00092
|
|
179 21H+4 -0.00364 -0.00222 0.00000 0.00000 0.00000
|
|
180 21H-4 0.00942 0.00243 0.00000 0.00000 0.00000
|
|
181 21H+5 0.00000 0.00000 -0.01483 0.00382 0.00477
|
|
182 21H-5 0.00000 0.00000 -0.00862 0.00299 0.00342
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183 3 H 1S 0.00000 0.00000 0.00050 -0.02169 -0.01466
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184 2S 0.00000 0.00000 0.97842 -1.10859 -1.78552
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185 3S 0.00000 0.00000 -13.46250 17.31971 18.34345
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186 4S 0.00000 0.00000 -9.91148 15.28408 15.64688
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187 5S 0.00000 0.00000 0.51680 -0.64317 -0.56748
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188 6PX 0.00000 0.00000 0.00612 -0.02854 -0.03075
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189 6PY 0.00000 0.00000 0.00919 0.00136 0.00838
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190 6PZ -0.01217 -0.01359 0.00000 0.00000 0.00000
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191 7PX 0.00000 0.00000 0.07372 0.06962 0.07589
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192 7PY 0.00000 0.00000 -0.10692 -0.03656 0.01384
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193 7PZ 0.12072 0.02874 0.00000 0.00000 0.00000
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194 8PX 0.00000 0.00000 -5.24218 7.04880 6.43485
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195 8PY 0.00000 0.00000 1.86987 -0.63471 -3.30242
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196 8PZ -1.98434 0.90427 0.00000 0.00000 0.00000
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197 9PX 0.00000 0.00000 -4.03838 6.57438 6.53145
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198 9PY 0.00000 0.00000 1.43316 -1.07857 -2.90759
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199 9PZ -1.00352 -0.02357 0.00000 0.00000 0.00000
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200 10D 0 0.00000 0.00000 -0.04394 0.02080 0.02590
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201 10D+1 0.05712 -0.04853 0.00000 0.00000 0.00000
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202 10D-1 -0.01734 0.01849 0.00000 0.00000 0.00000
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|
203 10D+2 0.00000 0.00000 0.02180 -0.06703 -0.03058
|
|
204 10D-2 0.00000 0.00000 -0.03473 -0.01202 0.05128
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205 11D 0 0.00000 0.00000 0.38085 -0.34592 -0.37455
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206 11D+1 -0.40443 0.37064 0.00000 0.00000 0.00000
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207 11D-1 0.10243 -0.11298 0.00000 0.00000 0.00000
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|
208 11D+2 0.00000 0.00000 -0.35838 0.78663 0.44736
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209 11D-2 0.00000 0.00000 0.35225 -0.06099 -0.56441
|
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210 12D 0 0.00000 0.00000 0.61178 -0.91599 -1.01423
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|
211 12D+1 -0.89184 0.11113 0.00000 0.00000 0.00000
|
|
212 12D-1 0.31348 -0.21903 0.00000 0.00000 0.00000
|
|
213 12D+2 0.00000 0.00000 -0.85201 1.67673 0.85475
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|
214 12D-2 0.00000 0.00000 0.54687 0.13021 -1.73814
|
|
215 13F 0 -0.01831 -0.01069 0.00000 0.00000 0.00000
|
|
216 13F+1 0.00000 0.00000 0.00800 -0.01998 -0.02580
|
|
217 13F-1 0.00000 0.00000 0.04045 -0.00658 0.01374
|
|
218 13F+2 -0.00268 0.00124 0.00000 0.00000 0.00000
|
|
219 13F-2 -0.01582 0.00700 0.00000 0.00000 0.00000
|
|
220 13F+3 0.00000 0.00000 -0.01341 0.02197 0.01816
|
|
221 13F-3 0.00000 0.00000 0.04052 -0.02359 -0.02105
|
|
222 14F 0 0.34391 -0.08977 0.00000 0.00000 0.00000
|
|
223 14F+1 0.00000 0.00000 0.13740 -0.16167 -0.10718
|
|
224 14F-1 0.00000 0.00000 -0.38476 0.03891 0.06216
|
|
225 14F+2 -0.31199 0.20409 0.00000 0.00000 0.00000
|
|
226 14F-2 0.13542 -0.10533 0.00000 0.00000 0.00000
|
|
227 14F+3 0.00000 0.00000 -0.04946 0.37210 -0.10721
|
|
228 14F-3 0.00000 0.00000 0.01089 0.15233 -0.33432
|
|
229 15G 0 0.00000 0.00000 -0.00199 0.00771 0.00692
|
|
230 15G+1 0.01293 -0.00920 0.00000 0.00000 0.00000
|
|
231 15G-1 0.00148 -0.00429 0.00000 0.00000 0.00000
|
|
232 15G+2 0.00000 0.00000 0.00035 -0.00879 -0.00572
|
|
233 15G-2 0.00000 0.00000 -0.00447 -0.00218 0.00872
|
|
234 15G+3 -0.02097 0.00984 0.00000 0.00000 0.00000
|
|
235 15G-3 -0.00413 -0.00012 0.00000 0.00000 0.00000
|
|
236 15G+4 0.00000 0.00000 -0.00350 0.02058 -0.01248
|
|
237 15G-4 0.00000 0.00000 0.01335 0.00187 -0.01540
|
|
238 4 H 1S 0.00000 0.00000 -0.00200 -0.01535 -0.00562
|
|
239 2S 0.00000 0.00000 1.78516 1.29621 -0.17545
|
|
240 3S 0.00000 0.00000 -13.76914 -0.88106 3.21813
|
|
241 4S 0.00000 0.00000 -7.21322 0.40833 2.66517
|
|
242 5S 0.00000 0.00000 0.11627 -0.19983 -0.20304
|
|
243 6PX 0.00000 0.00000 0.00461 -0.01680 0.01390
|
|
244 6PY 0.00000 0.00000 0.02271 0.00107 0.02347
|
|
245 6PZ 0.02787 0.02167 0.00000 0.00000 0.00000
|
|
246 7PX 0.00000 0.00000 -0.30014 -0.02584 -0.00630
|
|
247 7PY 0.00000 0.00000 -0.10474 0.05034 -0.15000
|
|
248 7PZ -0.19408 -0.14467 0.00000 0.00000 0.00000
|
|
249 8PX 0.00000 0.00000 8.42124 0.70285 -1.66000
|
|
250 8PY 0.00000 0.00000 0.38895 -1.10363 1.75872
|
|
251 8PZ 2.29980 1.26254 0.00000 0.00000 0.00000
|
|
252 9PX 0.00000 0.00000 5.09503 0.09908 -1.07151
|
|
253 9PY 0.00000 0.00000 -0.59238 -0.51771 1.36955
|
|
254 9PZ 0.52214 0.46628 0.00000 0.00000 0.00000
|
|
255 10D 0 0.00000 0.00000 -0.02974 -0.02636 0.02047
|
|
256 10D+1 -0.00438 -0.00246 0.00000 0.00000 0.00000
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|
257 10D-1 0.00791 -0.01377 0.00000 0.00000 0.00000
|
|
258 10D+2 0.00000 0.00000 0.05390 0.00334 -0.03588
|
|
259 10D-2 0.00000 0.00000 -0.00891 -0.03087 -0.00973
|
|
260 11D 0 0.00000 0.00000 0.49585 0.19581 -0.20296
|
|
261 11D+1 -0.08588 -0.02624 0.00000 0.00000 0.00000
|
|
262 11D-1 0.00207 0.06599 0.00000 0.00000 0.00000
|
|
263 11D+2 0.00000 0.00000 -0.89639 -0.08774 0.34528
|
|
264 11D-2 0.00000 0.00000 0.22060 0.25999 -0.04311
|
|
265 12D 0 0.00000 0.00000 1.49942 0.47616 -0.41220
|
|
266 12D+1 -1.50412 -0.80898 0.00000 0.00000 0.00000
|
|
267 12D-1 0.21543 0.30798 0.00000 0.00000 0.00000
|
|
268 12D+2 0.00000 0.00000 -3.23098 -0.22729 -0.13661
|
|
269 12D-2 0.00000 0.00000 0.13533 0.61099 -1.24271
|
|
270 13F 0 -0.03816 0.03957 0.00000 0.00000 0.00000
|
|
271 13F+1 0.00000 0.00000 -0.06058 -0.02998 0.02099
|
|
272 13F-1 0.00000 0.00000 -0.00820 -0.04351 0.05795
|
|
273 13F+2 0.00375 0.04931 0.00000 0.00000 0.00000
|
|
274 13F-2 -0.01413 -0.02571 0.00000 0.00000 0.00000
|
|
275 13F+3 0.00000 0.00000 0.05416 0.00472 0.02664
|
|
276 13F-3 0.00000 0.00000 -0.03975 -0.02849 0.02203
|
|
277 14F 0 0.03149 -0.41643 0.00000 0.00000 0.00000
|
|
278 14F+1 0.00000 0.00000 -0.28505 -0.05363 0.04078
|
|
279 14F-1 0.00000 0.00000 0.13690 0.44591 -0.49861
|
|
280 14F+2 0.27170 -0.24905 0.00000 0.00000 0.00000
|
|
281 14F-2 -0.05036 0.08167 0.00000 0.00000 0.00000
|
|
282 14F+3 0.00000 0.00000 0.70623 0.07519 -0.34110
|
|
283 14F-3 0.00000 0.00000 -0.13356 -0.06926 0.08282
|
|
284 15G 0 0.00000 0.00000 -0.01502 -0.01374 0.00469
|
|
285 15G+1 0.01584 0.00986 0.00000 0.00000 0.00000
|
|
286 15G-1 -0.00158 -0.00719 0.00000 0.00000 0.00000
|
|
287 15G+2 0.00000 0.00000 0.02558 0.00893 -0.00520
|
|
288 15G-2 0.00000 0.00000 -0.00726 -0.01049 0.00501
|
|
289 15G+3 -0.01530 -0.00009 0.00000 0.00000 0.00000
|
|
290 15G-3 0.01392 0.00379 0.00000 0.00000 0.00000
|
|
291 15G+4 0.00000 0.00000 -0.04848 -0.00652 0.00457
|
|
292 15G-4 0.00000 0.00000 0.03029 0.01273 -0.00907
|
|
293 5 H 1S 0.00603 0.00772 -0.00067 0.00194 0.00302
|
|
294 2S 0.41184 1.52812 0.07593 0.96018 0.37562
|
|
295 3S -5.14917 -15.24570 0.04197 -8.03614 -3.39897
|
|
296 4S -5.04217 -13.79415 2.13241 -8.97730 -6.35926
|
|
297 5S 0.39533 0.65337 -0.30053 0.50749 0.39515
|
|
298 6PX -0.00521 -0.00088 0.00098 -0.01285 -0.01388
|
|
299 6PY -0.00947 -0.00612 -0.00628 -0.00395 0.00147
|
|
300 6PZ -0.00154 -0.01805 -0.00160 -0.00176 0.00034
|
|
301 7PX 0.06115 -0.08099 0.00397 0.03803 0.06120
|
|
302 7PY 0.02443 -0.00559 0.02517 -0.02664 -0.01873
|
|
303 7PZ -0.03581 -0.00734 0.01841 -0.07713 -0.04525
|
|
304 8PX -0.58422 3.93807 -0.31530 0.91945 0.20965
|
|
305 8PY 0.92831 1.97714 0.29129 1.81739 0.53997
|
|
306 8PZ 2.40767 5.13905 -0.42769 3.36703 1.72488
|
|
307 9PX 0.40087 3.53777 -0.54998 0.94329 0.64446
|
|
308 9PY 0.85894 2.38236 -0.03059 2.19224 0.85211
|
|
309 9PZ 2.15755 5.24954 -0.45355 3.40952 2.37640
|
|
310 10D 0 0.03692 0.02371 -0.00682 0.01684 0.01027
|
|
311 10D+1 -0.02491 0.05997 -0.00912 0.02953 0.01570
|
|
312 10D-1 0.03066 0.01551 -0.00070 0.03500 0.00763
|
|
313 10D+2 -0.02767 0.02246 -0.00916 -0.00876 0.00910
|
|
314 10D-2 -0.00775 0.01763 0.01237 0.00197 0.00481
|
|
315 11D 0 -0.30044 -0.30994 0.04952 -0.20829 -0.14026
|
|
316 11D+1 0.11730 -0.60195 0.06613 -0.28185 -0.15574
|
|
317 11D-1 -0.27456 -0.28261 -0.01087 -0.34926 -0.09167
|
|
318 11D+2 0.20889 -0.17079 0.07708 0.05581 -0.05864
|
|
319 11D-2 0.00928 -0.22347 -0.07245 -0.07127 -0.04240
|
|
320 12D 0 -0.72124 -0.71839 0.22638 -0.94471 -0.75907
|
|
321 12D+1 -0.03350 -1.67097 0.21298 -0.28424 -0.18788
|
|
322 12D-1 -0.54768 -0.96658 -0.17008 -0.98065 -0.29683
|
|
323 12D+2 0.16990 -0.38519 0.11877 0.51428 0.25057
|
|
324 12D-2 0.08213 -0.63833 0.09629 -0.45509 -0.02299
|
|
325 13F 0 -0.00463 0.00336 -0.00109 0.00164 0.01329
|
|
326 13F+1 0.00757 0.01955 0.00297 0.00265 0.00249
|
|
327 13F-1 -0.00344 0.02685 0.00198 0.01981 -0.00612
|
|
328 13F+2 0.00696 -0.01504 -0.01037 0.00643 0.00408
|
|
329 13F-2 0.00986 0.01141 0.00259 -0.00262 0.02571
|
|
330 13F+3 -0.01362 -0.00359 0.01414 -0.01290 0.00685
|
|
331 13F-3 0.00091 0.01362 -0.00762 0.02686 -0.02093
|
|
332 14F 0 0.24670 -0.05516 -0.04171 0.05102 -0.00290
|
|
333 14F+1 -0.04757 0.19911 -0.06871 0.13461 0.11944
|
|
334 14F-1 0.20560 0.05088 -0.00443 0.15454 0.14815
|
|
335 14F+2 -0.24652 0.30178 -0.00340 -0.13498 -0.02375
|
|
336 14F-2 -0.02264 0.19691 -0.00257 0.18544 -0.15412
|
|
337 14F+3 -0.00395 0.08073 -0.13321 0.05397 -0.03526
|
|
338 14F-3 -0.05453 0.03489 0.03956 -0.19457 0.13187
|
|
339 15G 0 -0.01041 0.00850 0.00344 -0.00031 0.00006
|
|
340 15G+1 -0.00362 -0.00342 0.00341 -0.00123 -0.00642
|
|
341 15G-1 -0.00631 -0.00802 0.00143 -0.01195 -0.00421
|
|
342 15G+2 0.00515 -0.00342 0.00628 0.00458 -0.00003
|
|
343 15G-2 -0.00205 -0.01167 -0.00127 -0.01032 -0.00437
|
|
344 15G+3 0.00879 -0.00590 0.00058 0.00383 -0.00096
|
|
345 15G-3 0.00080 -0.01065 0.00067 -0.00109 0.00281
|
|
346 15G+4 0.00391 -0.00259 -0.00038 0.00001 -0.00303
|
|
347 15G-4 0.00553 -0.00778 0.00024 0.00047 -0.00033
|
|
348 6 H 1S -0.00603 -0.00772 -0.00067 0.00194 0.00302
|
|
349 2S -0.41184 -1.52812 0.07593 0.96018 0.37562
|
|
350 3S 5.14917 15.24570 0.04197 -8.03614 -3.39897
|
|
351 4S 5.04217 13.79415 2.13241 -8.97730 -6.35926
|
|
352 5S -0.39533 -0.65337 -0.30053 0.50749 0.39515
|
|
353 6PX 0.00521 0.00088 0.00098 -0.01285 -0.01388
|
|
354 6PY 0.00947 0.00612 -0.00628 -0.00395 0.00147
|
|
355 6PZ -0.00154 -0.01805 0.00160 0.00176 -0.00034
|
|
356 7PX -0.06115 0.08099 0.00397 0.03803 0.06120
|
|
357 7PY -0.02443 0.00559 0.02517 -0.02664 -0.01873
|
|
358 7PZ -0.03581 -0.00734 -0.01841 0.07713 0.04525
|
|
359 8PX 0.58422 -3.93807 -0.31530 0.91945 0.20965
|
|
360 8PY -0.92831 -1.97714 0.29129 1.81739 0.53997
|
|
361 8PZ 2.40767 5.13905 0.42769 -3.36703 -1.72488
|
|
362 9PX -0.40087 -3.53777 -0.54998 0.94329 0.64446
|
|
363 9PY -0.85894 -2.38236 -0.03059 2.19224 0.85211
|
|
364 9PZ 2.15755 5.24954 0.45355 -3.40952 -2.37640
|
|
365 10D 0 -0.03692 -0.02371 -0.00682 0.01684 0.01027
|
|
366 10D+1 -0.02491 0.05997 0.00912 -0.02953 -0.01570
|
|
367 10D-1 0.03066 0.01551 0.00070 -0.03500 -0.00763
|
|
368 10D+2 0.02767 -0.02246 -0.00916 -0.00876 0.00910
|
|
369 10D-2 0.00775 -0.01763 0.01237 0.00197 0.00481
|
|
370 11D 0 0.30044 0.30994 0.04952 -0.20829 -0.14026
|
|
371 11D+1 0.11730 -0.60195 -0.06613 0.28185 0.15574
|
|
372 11D-1 -0.27456 -0.28261 0.01087 0.34926 0.09167
|
|
373 11D+2 -0.20889 0.17079 0.07708 0.05581 -0.05864
|
|
374 11D-2 -0.00928 0.22347 -0.07245 -0.07127 -0.04240
|
|
375 12D 0 0.72124 0.71839 0.22638 -0.94471 -0.75907
|
|
376 12D+1 -0.03350 -1.67097 -0.21298 0.28424 0.18788
|
|
377 12D-1 -0.54768 -0.96658 0.17008 0.98065 0.29683
|
|
378 12D+2 -0.16990 0.38519 0.11877 0.51428 0.25057
|
|
379 12D-2 -0.08213 0.63833 0.09629 -0.45509 -0.02299
|
|
380 13F 0 -0.00463 0.00336 0.00109 -0.00164 -0.01329
|
|
381 13F+1 -0.00757 -0.01955 0.00297 0.00265 0.00249
|
|
382 13F-1 0.00344 -0.02685 0.00198 0.01981 -0.00612
|
|
383 13F+2 0.00696 -0.01504 0.01037 -0.00643 -0.00408
|
|
384 13F-2 0.00986 0.01141 -0.00259 0.00262 -0.02571
|
|
385 13F+3 0.01362 0.00359 0.01414 -0.01290 0.00685
|
|
386 13F-3 -0.00091 -0.01362 -0.00762 0.02686 -0.02093
|
|
387 14F 0 0.24670 -0.05516 0.04171 -0.05102 0.00290
|
|
388 14F+1 0.04757 -0.19911 -0.06871 0.13461 0.11944
|
|
389 14F-1 -0.20560 -0.05088 -0.00443 0.15454 0.14815
|
|
390 14F+2 -0.24652 0.30178 0.00340 0.13498 0.02375
|
|
391 14F-2 -0.02264 0.19691 0.00257 -0.18544 0.15412
|
|
392 14F+3 0.00395 -0.08073 -0.13321 0.05397 -0.03526
|
|
393 14F-3 0.05453 -0.03489 0.03956 -0.19457 0.13187
|
|
394 15G 0 0.01041 -0.00850 0.00344 -0.00031 0.00006
|
|
395 15G+1 -0.00362 -0.00342 -0.00341 0.00123 0.00642
|
|
396 15G-1 -0.00631 -0.00802 -0.00143 0.01195 0.00421
|
|
397 15G+2 -0.00515 0.00342 0.00628 0.00458 -0.00003
|
|
398 15G-2 0.00205 0.01167 -0.00127 -0.01032 -0.00437
|
|
399 15G+3 0.00879 -0.00590 -0.00058 -0.00383 0.00096
|
|
400 15G-3 0.00080 -0.01065 -0.00067 0.00109 -0.00281
|
|
401 15G+4 -0.00391 0.00259 -0.00038 0.00001 -0.00303
|
|
402 15G-4 -0.00553 0.00778 0.00024 0.00047 -0.00033
|
|
121 122 123 124 125
|
|
V V V V V
|
|
Eigenvalues -- 3.84434 3.85337 3.92592 3.97374 4.01179
|
|
1 1 C 1S -0.00213 0.00000 0.00000 0.00000 -0.01380
|
|
2 2S -0.01300 0.00000 0.00000 0.00000 0.03850
|
|
3 3S 0.25371 0.00000 0.00000 0.00000 0.17069
|
|
4 4S -7.88407 0.00000 0.00000 0.00000 -2.59920
|
|
5 5S 30.96108 0.00000 0.00000 0.00000 12.79370
|
|
6 6S 4.99954 0.00000 0.00000 0.00000 3.91327
|
|
7 7PX 0.00138 0.00000 0.00000 0.00000 0.01086
|
|
8 7PY 0.01713 0.00000 0.00000 0.00000 -0.00040
|
|
9 7PZ 0.00000 -0.00286 0.00253 -0.02621 0.00000
|
|
10 8PX -0.73976 0.00000 0.00000 0.00000 -0.82320
|
|
11 8PY -0.45151 0.00000 0.00000 0.00000 0.29311
|
|
12 8PZ 0.00000 -0.39022 -2.50216 -1.01405 0.00000
|
|
13 9PX 7.80532 0.00000 0.00000 0.00000 9.15816
|
|
14 9PY 3.22630 0.00000 0.00000 0.00000 -0.71315
|
|
15 9PZ 0.00000 4.41457 22.70692 6.11149 0.00000
|
|
16 10PX 8.45968 0.00000 0.00000 0.00000 3.94381
|
|
17 10PY 1.26229 0.00000 0.00000 0.00000 -0.82261
|
|
18 10PZ 0.00000 2.77276 18.89322 8.13389 0.00000
|
|
19 11PX -0.03151 0.00000 0.00000 0.00000 0.23445
|
|
20 11PY 0.13545 0.00000 0.00000 0.00000 -0.14600
|
|
21 11PZ 0.00000 0.01941 0.33961 -0.02511 0.00000
|
|
22 12D 0 -0.03495 0.00000 0.00000 0.00000 -0.02162
|
|
23 12D+1 0.00000 -0.01346 -0.06447 -0.02782 0.00000
|
|
24 12D-1 0.00000 -0.02130 -0.05526 0.00333 0.00000
|
|
25 12D+2 0.01498 0.00000 0.00000 0.00000 0.00432
|
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|
288 15G-2 0.01715 0.00000 0.00000 0.00000 -0.01303
|
|
289 15G+3 0.00000 0.01105 0.00716 -0.00441 0.00000
|
|
290 15G-3 0.00000 -0.02284 -0.00928 0.00729 0.00000
|
|
291 15G+4 -0.00010 0.00000 0.00000 0.00000 0.00957
|
|
292 15G-4 -0.03027 0.00000 0.00000 0.00000 0.02567
|
|
293 5 H 1S 0.01673 -0.00122 0.01501 0.01040 0.00279
|
|
294 2S 0.75590 0.36572 1.46555 0.22677 0.45221
|
|
295 3S -12.75192 -4.37063 -18.41701 -5.56958 -5.27617
|
|
296 4S -7.38862 -2.69481 -16.13864 -5.54552 -4.58044
|
|
297 5S -0.12855 0.10267 0.59213 0.38290 -0.14090
|
|
298 6PX -0.01796 0.00302 -0.00565 -0.00250 -0.00903
|
|
299 6PY -0.00949 0.00121 0.00386 -0.01245 0.00261
|
|
300 6PZ -0.01719 -0.00195 -0.02930 -0.00598 -0.00599
|
|
301 7PX 0.08884 -0.00543 -0.03101 -0.02037 0.05021
|
|
302 7PY 0.06551 0.00619 -0.09652 0.10446 -0.03744
|
|
303 7PZ 0.08880 -0.06183 0.06314 0.01047 0.02954
|
|
304 8PX 1.87709 0.29302 3.69135 1.67968 0.59453
|
|
305 8PY 1.23038 -0.05990 4.59757 -0.87022 1.59548
|
|
306 8PZ 3.53978 2.44705 5.77216 1.99113 1.65579
|
|
307 9PX 1.25837 0.56282 3.29353 1.64286 1.14836
|
|
308 9PY 1.16278 0.10756 3.79058 -0.23639 1.09788
|
|
309 9PZ 3.19381 1.37974 5.31445 1.58184 1.89487
|
|
310 10D 0 0.01070 0.06181 0.03373 0.02761 0.00287
|
|
311 10D+1 0.02114 0.00122 0.03626 0.03427 -0.00891
|
|
312 10D-1 -0.00479 0.00367 0.05570 -0.03051 0.01726
|
|
313 10D+2 0.01406 -0.00129 0.00711 0.01664 0.00572
|
|
314 10D-2 0.00596 -0.03923 0.03716 0.00411 0.00678
|
|
315 11D 0 -0.20366 -0.48159 -0.39905 -0.21412 -0.05971
|
|
316 11D+1 -0.31303 -0.05249 -0.50694 -0.31180 -0.02226
|
|
317 11D-1 -0.10910 -0.04717 -0.59811 0.13644 -0.18470
|
|
318 11D+2 -0.11170 0.00209 -0.04420 -0.13576 -0.01393
|
|
319 11D-2 -0.10989 0.21925 -0.37185 -0.05874 -0.08310
|
|
320 12D 0 -0.66836 -0.69108 -0.26634 -0.28483 -0.20122
|
|
321 12D+1 -0.47538 -0.32976 -1.33068 -0.81993 -0.25415
|
|
322 12D-1 -0.25669 -0.03934 -1.78835 0.56733 -0.68706
|
|
323 12D+2 0.03922 -0.03192 0.34191 -0.80393 0.04881
|
|
324 12D-2 -0.12201 -0.04918 -1.06912 0.06372 -0.58523
|
|
325 13F 0 -0.00279 -0.00382 0.00125 -0.01243 -0.01134
|
|
326 13F+1 0.01173 -0.00596 0.03129 -0.01224 0.02597
|
|
327 13F-1 0.02195 -0.00013 0.01438 -0.00139 -0.01097
|
|
328 13F+2 0.00545 0.01001 0.00891 -0.01421 -0.01463
|
|
329 13F-2 0.00110 0.01301 -0.00800 0.03910 -0.00243
|
|
330 13F+3 -0.01739 -0.02262 -0.00715 0.04084 -0.00667
|
|
331 13F-3 0.00454 0.00753 0.01007 -0.01537 0.01834
|
|
332 14F 0 0.08389 0.37970 -0.09455 0.18847 0.02310
|
|
333 14F+1 0.08280 0.18089 0.10987 0.29083 -0.14251
|
|
334 14F-1 -0.07287 0.08409 0.24133 -0.07612 0.14586
|
|
335 14F+2 0.05141 -0.05919 -0.13602 0.41892 0.02748
|
|
336 14F-2 0.07259 -0.12272 0.51035 -0.25838 0.14894
|
|
337 14F+3 0.14436 0.16589 -0.10795 -0.20807 -0.03035
|
|
338 14F-3 0.01639 -0.05733 -0.00221 0.24072 -0.13393
|
|
339 15G 0 0.00079 -0.01626 0.01262 -0.00553 0.00644
|
|
340 15G+1 -0.00273 -0.00659 -0.00694 -0.00332 -0.00489
|
|
341 15G-1 -0.00440 -0.00539 -0.00243 0.00032 0.00774
|
|
342 15G+2 -0.00232 -0.00252 0.00144 -0.01518 0.00283
|
|
343 15G-2 0.00109 -0.00096 -0.01922 0.00023 -0.00363
|
|
344 15G+3 -0.00206 0.00344 0.01503 -0.01242 0.00875
|
|
345 15G-3 -0.00221 -0.00427 -0.00344 -0.01377 0.00033
|
|
346 15G+4 0.00387 0.00425 0.00233 0.00120 0.00281
|
|
347 15G-4 -0.00283 0.00071 0.00663 -0.00868 0.00121
|
|
348 6 H 1S 0.01673 0.00122 -0.01501 -0.01040 0.00279
|
|
349 2S 0.75590 -0.36572 -1.46555 -0.22677 0.45221
|
|
350 3S -12.75192 4.37063 18.41701 5.56958 -5.27617
|
|
351 4S -7.38862 2.69481 16.13864 5.54552 -4.58044
|
|
352 5S -0.12855 -0.10267 -0.59213 -0.38290 -0.14090
|
|
353 6PX -0.01796 -0.00302 0.00565 0.00250 -0.00903
|
|
354 6PY -0.00949 -0.00121 -0.00386 0.01245 0.00261
|
|
355 6PZ 0.01719 -0.00195 -0.02930 -0.00598 0.00599
|
|
356 7PX 0.08884 0.00543 0.03101 0.02037 0.05021
|
|
357 7PY 0.06551 -0.00619 0.09652 -0.10446 -0.03744
|
|
358 7PZ -0.08880 -0.06183 0.06314 0.01047 -0.02954
|
|
359 8PX 1.87709 -0.29302 -3.69135 -1.67968 0.59453
|
|
360 8PY 1.23038 0.05990 -4.59757 0.87022 1.59548
|
|
361 8PZ -3.53978 2.44705 5.77216 1.99113 -1.65579
|
|
362 9PX 1.25837 -0.56282 -3.29353 -1.64286 1.14836
|
|
363 9PY 1.16278 -0.10756 -3.79058 0.23639 1.09788
|
|
364 9PZ -3.19381 1.37974 5.31445 1.58184 -1.89487
|
|
365 10D 0 0.01070 -0.06181 -0.03373 -0.02761 0.00287
|
|
366 10D+1 -0.02114 0.00122 0.03626 0.03427 0.00891
|
|
367 10D-1 0.00479 0.00367 0.05570 -0.03051 -0.01726
|
|
368 10D+2 0.01406 0.00129 -0.00711 -0.01664 0.00572
|
|
369 10D-2 0.00596 0.03923 -0.03716 -0.00411 0.00678
|
|
370 11D 0 -0.20366 0.48159 0.39905 0.21412 -0.05971
|
|
371 11D+1 0.31303 -0.05249 -0.50694 -0.31180 0.02226
|
|
372 11D-1 0.10910 -0.04717 -0.59811 0.13644 0.18470
|
|
373 11D+2 -0.11170 -0.00209 0.04420 0.13576 -0.01393
|
|
374 11D-2 -0.10989 -0.21925 0.37185 0.05874 -0.08310
|
|
375 12D 0 -0.66836 0.69108 0.26634 0.28483 -0.20122
|
|
376 12D+1 0.47538 -0.32976 -1.33068 -0.81993 0.25415
|
|
377 12D-1 0.25669 -0.03934 -1.78835 0.56733 0.68706
|
|
378 12D+2 0.03922 0.03192 -0.34191 0.80393 0.04881
|
|
379 12D-2 -0.12201 0.04918 1.06912 -0.06372 -0.58523
|
|
380 13F 0 0.00279 -0.00382 0.00125 -0.01243 0.01134
|
|
381 13F+1 0.01173 0.00596 -0.03129 0.01224 0.02597
|
|
382 13F-1 0.02195 0.00013 -0.01438 0.00139 -0.01097
|
|
383 13F+2 -0.00545 0.01001 0.00891 -0.01421 0.01463
|
|
384 13F-2 -0.00110 0.01301 -0.00800 0.03910 0.00243
|
|
385 13F+3 -0.01739 0.02262 0.00715 -0.04084 -0.00667
|
|
386 13F-3 0.00454 -0.00753 -0.01007 0.01537 0.01834
|
|
387 14F 0 -0.08389 0.37970 -0.09455 0.18847 -0.02310
|
|
388 14F+1 0.08280 -0.18089 -0.10987 -0.29083 -0.14251
|
|
389 14F-1 -0.07287 -0.08409 -0.24133 0.07612 0.14586
|
|
390 14F+2 -0.05141 -0.05919 -0.13602 0.41892 -0.02748
|
|
391 14F-2 -0.07259 -0.12272 0.51035 -0.25838 -0.14894
|
|
392 14F+3 0.14436 -0.16589 0.10795 0.20807 -0.03035
|
|
393 14F-3 0.01639 0.05733 0.00221 -0.24072 -0.13393
|
|
394 15G 0 0.00079 0.01626 -0.01262 0.00553 0.00644
|
|
395 15G+1 0.00273 -0.00659 -0.00694 -0.00332 0.00489
|
|
396 15G-1 0.00440 -0.00539 -0.00243 0.00032 -0.00774
|
|
397 15G+2 -0.00232 0.00252 -0.00144 0.01518 0.00283
|
|
398 15G-2 0.00109 0.00096 0.01922 -0.00023 -0.00363
|
|
399 15G+3 0.00206 0.00344 0.01503 -0.01242 -0.00875
|
|
400 15G-3 0.00221 -0.00427 -0.00344 -0.01377 -0.00033
|
|
401 15G+4 0.00387 -0.00425 -0.00233 -0.00120 0.00281
|
|
402 15G-4 -0.00283 -0.00071 -0.00663 0.00868 0.00121
|
|
126 127 128 129 130
|
|
V V V V V
|
|
Eigenvalues -- 4.05276 4.07073 4.14246 4.16595 4.18012
|
|
1 1 C 1S -0.02849 -0.04890 -0.09115 0.00000 0.00000
|
|
2 2S -0.05399 -0.00414 -0.01665 0.00000 0.00000
|
|
3 3S -0.50133 -0.57225 -1.29453 0.00000 0.00000
|
|
4 4S -2.01522 0.53898 2.79579 0.00000 0.00000
|
|
5 5S 19.55401 12.47455 21.76824 0.00000 0.00000
|
|
6 6S 2.24395 3.02973 4.74804 0.00000 0.00000
|
|
7 7PX 0.01158 -0.01566 0.02274 0.00000 0.00000
|
|
8 7PY -0.01663 -0.05720 -0.01336 0.00000 0.00000
|
|
9 7PZ 0.00000 0.00000 0.00000 -0.01143 -0.04161
|
|
10 8PX 0.70791 -0.47621 0.11321 0.00000 0.00000
|
|
11 8PY -0.81346 -0.73390 -1.40887 0.00000 0.00000
|
|
12 8PZ 0.00000 0.00000 0.00000 -0.49795 -0.97865
|
|
13 9PX -7.06271 2.06357 2.82683 0.00000 0.00000
|
|
14 9PY 3.99313 4.21880 9.30393 0.00000 0.00000
|
|
15 9PZ 0.00000 0.00000 0.00000 2.76031 4.71391
|
|
16 10PX -5.75144 1.48432 0.36903 0.00000 0.00000
|
|
17 10PY 6.77838 3.67027 10.35587 0.00000 0.00000
|
|
18 10PZ 0.00000 0.00000 0.00000 2.17922 1.69823
|
|
19 11PX -0.41119 0.25558 0.14717 0.00000 0.00000
|
|
20 11PY 0.24484 0.10705 0.41836 0.00000 0.00000
|
|
21 11PZ 0.00000 0.00000 0.00000 0.13660 -0.01498
|
|
22 12D 0 0.01982 -0.01452 -0.02254 0.00000 0.00000
|
|
23 12D+1 0.00000 0.00000 0.00000 -0.00844 0.00037
|
|
24 12D-1 0.00000 0.00000 0.00000 -0.00725 -0.02512
|
|
25 12D+2 -0.01376 -0.00733 -0.00453 0.00000 0.00000
|
|
26 12D-2 0.00857 0.00611 -0.01966 0.00000 0.00000
|
|
27 13D 0 -0.18302 0.16497 -0.04425 0.00000 0.00000
|
|
28 13D+1 0.00000 0.00000 0.00000 0.04285 -0.10628
|
|
29 13D-1 0.00000 0.00000 0.00000 0.03111 0.23302
|
|
30 13D+2 -0.10368 0.00900 0.00450 0.00000 0.00000
|
|
31 13D-2 0.17188 -0.11550 0.05395 0.00000 0.00000
|
|
32 14D 0 -0.36166 0.82843 3.37175 0.00000 0.00000
|
|
33 14D+1 0.00000 0.00000 0.00000 0.79245 2.01853
|
|
34 14D-1 0.00000 0.00000 0.00000 -0.20926 0.20457
|
|
35 14D+2 3.88065 0.17541 0.73411 0.00000 0.00000
|
|
36 14D-2 -3.99088 1.67171 0.60904 0.00000 0.00000
|
|
37 15D 0 0.95655 0.35761 1.36811 0.00000 0.00000
|
|
38 15D+1 0.00000 0.00000 0.00000 0.64254 0.86195
|
|
39 15D-1 0.00000 0.00000 0.00000 0.26602 -0.03340
|
|
40 15D+2 2.71999 0.29126 2.30956 0.00000 0.00000
|
|
41 15D-2 -0.51644 0.68964 0.18930 0.00000 0.00000
|
|
42 16F 0 0.00000 0.00000 0.00000 -0.00877 -0.00186
|
|
43 16F+1 -0.00850 -0.00991 -0.04216 0.00000 0.00000
|
|
44 16F-1 -0.00304 -0.00839 -0.05333 0.00000 0.00000
|
|
45 16F+2 0.00000 0.00000 0.00000 0.00530 0.00961
|
|
46 16F-2 0.00000 0.00000 0.00000 0.01354 0.02793
|
|
47 16F+3 0.01587 0.03570 -0.01626 0.00000 0.00000
|
|
48 16F-3 -0.04828 -0.01559 -0.01772 0.00000 0.00000
|
|
49 17F 0 0.00000 0.00000 0.00000 0.08313 0.09851
|
|
50 17F+1 0.34752 0.25752 0.97828 0.00000 0.00000
|
|
51 17F-1 0.01062 0.21234 1.00445 0.00000 0.00000
|
|
52 17F+2 0.00000 0.00000 0.00000 0.02858 -0.05007
|
|
53 17F-2 0.00000 0.00000 0.00000 -0.08537 -0.15090
|
|
54 17F+3 -0.21711 -0.41731 -0.01075 0.00000 0.00000
|
|
55 17F-3 0.81728 0.16533 0.51888 0.00000 0.00000
|
|
56 18F 0 0.00000 0.00000 0.00000 -0.05957 0.74897
|
|
57 18F+1 2.90441 0.25635 0.76935 0.00000 0.00000
|
|
58 18F-1 -0.37678 1.77550 -0.78850 0.00000 0.00000
|
|
59 18F+2 0.00000 0.00000 0.00000 0.96751 0.10854
|
|
60 18F-2 0.00000 0.00000 0.00000 0.39025 1.29164
|
|
61 18F+3 -0.34609 -0.55797 -0.11431 0.00000 0.00000
|
|
62 18F-3 0.77928 -0.01424 -0.49408 0.00000 0.00000
|
|
63 19G 0 -0.00217 -0.03548 -0.00726 0.00000 0.00000
|
|
64 19G+1 0.00000 0.00000 0.00000 0.00278 -0.02010
|
|
65 19G-1 0.00000 0.00000 0.00000 -0.01573 0.02072
|
|
66 19G+2 -0.00866 -0.02134 0.01467 0.00000 0.00000
|
|
67 19G-2 -0.01540 -0.00633 0.07471 0.00000 0.00000
|
|
68 19G+3 0.00000 0.00000 0.00000 -0.01109 0.06168
|
|
69 19G-3 0.00000 0.00000 0.00000 0.01355 0.02891
|
|
70 19G+4 -0.00125 -0.01682 0.03498 0.00000 0.00000
|
|
71 19G-4 -0.00188 -0.01809 0.00296 0.00000 0.00000
|
|
72 20G 0 0.53385 0.03899 -0.05058 0.00000 0.00000
|
|
73 20G+1 0.00000 0.00000 0.00000 0.26025 0.35947
|
|
74 20G-1 0.00000 0.00000 0.00000 0.36793 0.04465
|
|
75 20G+2 0.11690 0.01226 -0.42057 0.00000 0.00000
|
|
76 20G-2 0.53582 0.49150 0.47787 0.00000 0.00000
|
|
77 20G+3 0.00000 0.00000 0.00000 0.14690 -0.56171
|
|
78 20G-3 0.00000 0.00000 0.00000 -0.16734 -0.20154
|
|
79 20G+4 -0.06949 0.33506 -0.79729 0.00000 0.00000
|
|
80 20G-4 -0.58397 0.22441 -0.32148 0.00000 0.00000
|
|
81 21H 0 0.00000 0.00000 0.00000 0.02870 0.00759
|
|
82 21H+1 0.05460 -0.04206 0.00782 0.00000 0.00000
|
|
83 21H-1 0.05085 -0.01801 0.05562 0.00000 0.00000
|
|
84 21H+2 0.00000 0.00000 0.00000 0.03153 0.01073
|
|
85 21H-2 0.00000 0.00000 0.00000 0.01426 0.01842
|
|
86 21H+3 0.04541 0.02038 -0.07591 0.00000 0.00000
|
|
87 21H-3 -0.02286 0.01793 0.00831 0.00000 0.00000
|
|
88 21H+4 0.00000 0.00000 0.00000 0.00405 0.02497
|
|
89 21H-4 0.00000 0.00000 0.00000 -0.01789 0.01185
|
|
90 21H+5 0.04165 -0.00928 0.04073 0.00000 0.00000
|
|
91 21H-5 0.08420 -0.01400 0.01363 0.00000 0.00000
|
|
92 2 O 1S 0.00258 -0.00172 0.02792 0.00000 0.00000
|
|
93 2S 0.01536 -0.02727 -0.03116 0.00000 0.00000
|
|
94 3S 0.07482 -0.12076 0.17017 0.00000 0.00000
|
|
95 4S 0.87677 -0.75321 -2.76293 0.00000 0.00000
|
|
96 5S -7.93958 8.16889 14.27085 0.00000 0.00000
|
|
97 6S -3.73990 5.71309 11.69458 0.00000 0.00000
|
|
98 7PX -0.05686 0.04920 0.06531 0.00000 0.00000
|
|
99 7PY -0.01035 0.00716 0.03432 0.00000 0.00000
|
|
100 7PZ 0.00000 0.00000 0.00000 -0.00572 0.06035
|
|
101 8PX 0.10184 -0.23504 -0.06021 0.00000 0.00000
|
|
102 8PY -0.13947 0.14864 -0.03012 0.00000 0.00000
|
|
103 8PZ 0.00000 0.00000 0.00000 -0.02194 0.23019
|
|
104 9PX -2.28438 3.17508 2.51511 0.00000 0.00000
|
|
105 9PY 0.63033 -1.16802 0.13444 0.00000 0.00000
|
|
106 9PZ 0.00000 0.00000 0.00000 0.07911 0.15498
|
|
107 10PX -8.16768 4.48059 7.92909 0.00000 0.00000
|
|
108 10PY 3.43858 2.44541 1.94432 0.00000 0.00000
|
|
109 10PZ 0.00000 0.00000 0.00000 -0.62787 -0.65892
|
|
110 11PX -0.68667 0.43219 1.01842 0.00000 0.00000
|
|
111 11PY 0.48140 0.15726 0.49690 0.00000 0.00000
|
|
112 11PZ 0.00000 0.00000 0.00000 -0.11621 -0.22794
|
|
113 12D 0 0.01269 -0.00108 -0.02047 0.00000 0.00000
|
|
114 12D+1 0.00000 0.00000 0.00000 -0.00204 -0.00224
|
|
115 12D-1 0.00000 0.00000 0.00000 -0.00055 0.01522
|
|
116 12D+2 -0.02814 0.00961 0.01062 0.00000 0.00000
|
|
117 12D-2 -0.00125 0.01137 -0.00187 0.00000 0.00000
|
|
118 13D 0 -0.05350 0.03257 0.09210 0.00000 0.00000
|
|
119 13D+1 0.00000 0.00000 0.00000 0.01561 -0.02880
|
|
120 13D-1 0.00000 0.00000 0.00000 -0.00169 -0.04451
|
|
121 13D+2 0.11549 -0.07638 -0.02210 0.00000 0.00000
|
|
122 13D-2 -0.00349 -0.03560 -0.00580 0.00000 0.00000
|
|
123 14D 0 0.94819 -0.78591 -1.37714 0.00000 0.00000
|
|
124 14D+1 0.00000 0.00000 0.00000 -0.07810 0.12489
|
|
125 14D-1 0.00000 0.00000 0.00000 0.03115 0.33952
|
|
126 14D+2 -1.85574 1.72013 1.11507 0.00000 0.00000
|
|
127 14D-2 0.61707 -0.23809 -0.64649 0.00000 0.00000
|
|
128 15D 0 1.23770 -0.26048 -1.62757 0.00000 0.00000
|
|
129 15D+1 0.00000 0.00000 0.00000 -0.31712 -0.07859
|
|
130 15D-1 0.00000 0.00000 0.00000 -0.11379 -0.88200
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381 13F+1 0.00601 -0.01364 0.00614 0.02162 -0.00481
|
|
382 13F-1 -0.00235 0.00428 0.01554 -0.03003 0.02119
|
|
383 13F+2 -0.01306 -0.00471 -0.02110 0.06080 0.00275
|
|
384 13F-2 -0.00157 -0.02317 -0.00927 0.00118 0.04160
|
|
385 13F+3 0.02376 -0.02194 0.00026 0.03399 -0.02084
|
|
386 13F-3 0.03947 -0.01295 -0.00297 0.04703 0.03852
|
|
387 14F 0 0.22306 0.06606 -0.06388 -0.06860 -0.08543
|
|
388 14F+1 -0.07735 0.22806 0.29833 -0.17288 -0.03350
|
|
389 14F-1 0.02556 0.08617 0.02156 0.21369 -0.16432
|
|
390 14F+2 0.17406 -0.00671 -0.00313 -0.49317 -0.04390
|
|
391 14F-2 -0.12438 0.16007 -0.19711 0.07874 -0.22936
|
|
392 14F+3 -0.27381 0.19779 -0.02483 -0.22976 0.22678
|
|
393 14F-3 -0.26178 0.10071 0.14523 -0.39033 -0.31333
|
|
394 15G 0 0.00572 -0.00368 0.00219 -0.00529 -0.00426
|
|
395 15G+1 -0.00318 0.00929 0.01168 0.00321 -0.00130
|
|
396 15G-1 -0.00363 0.01069 0.00302 -0.00077 0.00959
|
|
397 15G+2 0.00323 -0.00215 -0.01122 -0.00084 -0.00057
|
|
398 15G-2 -0.00322 -0.00097 -0.01790 0.00209 0.00286
|
|
399 15G+3 -0.00529 0.00509 -0.00103 0.00368 0.00885
|
|
400 15G-3 0.00473 0.00245 0.01318 0.00172 0.00108
|
|
401 15G+4 0.00524 0.00121 0.00345 -0.00082 -0.00217
|
|
402 15G-4 -0.00088 -0.00097 -0.00269 -0.00209 -0.00457
|
|
131 132 133 134 135
|
|
V V V V V
|
|
Eigenvalues -- 4.22560 4.24171 4.25213 4.28222 4.36067
|
|
1 1 C 1S -0.11647 0.00000 0.00909 0.01755 0.00000
|
|
2 2S -0.00092 0.00000 -0.01745 -0.01791 0.00000
|
|
3 3S -1.50632 0.00000 0.05594 0.14100 0.00000
|
|
4 4S 1.07072 0.00000 -0.18742 -0.09801 0.00000
|
|
5 5S 38.17920 0.00000 -1.96371 -4.84247 0.00000
|
|
6 6S 9.28485 0.00000 -1.11470 -2.05937 0.00000
|
|
7 7PX -0.02617 0.00000 -0.02350 -0.02646 0.00000
|
|
8 7PY 0.02666 0.00000 -0.00336 0.00781 0.00000
|
|
9 7PZ 0.00000 -0.01253 0.00000 0.00000 0.02138
|
|
10 8PX -0.27173 0.00000 -1.25874 -1.30165 0.00000
|
|
11 8PY -0.27874 0.00000 -0.01439 -0.02527 0.00000
|
|
12 8PZ 0.00000 -0.16969 0.00000 0.00000 -1.43221
|
|
13 9PX -1.86713 0.00000 7.88944 11.02190 0.00000
|
|
14 9PY 6.17729 0.00000 -1.13289 -0.79197 0.00000
|
|
15 9PZ 0.00000 1.28235 0.00000 0.00000 11.12133
|
|
16 10PX -0.21161 0.00000 3.47228 6.04314 0.00000
|
|
17 10PY 6.51537 0.00000 1.43397 1.44259 0.00000
|
|
18 10PZ 0.00000 1.90230 0.00000 0.00000 4.50666
|
|
19 11PX -0.04910 0.00000 0.12626 0.27560 0.00000
|
|
20 11PY 0.38133 0.00000 0.09626 0.01596 0.00000
|
|
21 11PZ 0.00000 0.05128 0.00000 0.00000 0.75165
|
|
22 12D 0 -0.00531 0.00000 0.00155 -0.02532 0.00000
|
|
23 12D+1 0.00000 -0.01469 0.00000 0.00000 -0.02141
|
|
24 12D-1 0.00000 -0.01512 0.00000 0.00000 0.00371
|
|
25 12D+2 -0.03308 0.00000 0.00902 0.02695 0.00000
|
|
26 12D-2 0.00436 0.00000 -0.00707 -0.02503 0.00000
|
|
27 13D 0 -0.00542 0.00000 0.13073 -0.06831 0.00000
|
|
28 13D+1 0.00000 -0.16909 0.00000 0.00000 0.76198
|
|
29 13D-1 0.00000 0.16643 0.00000 0.00000 -0.33972
|
|
30 13D+2 0.06160 0.00000 -0.18981 -0.16250 0.00000
|
|
31 13D-2 -0.00712 0.00000 -0.13169 0.06998 0.00000
|
|
32 14D 0 0.76673 0.00000 -1.61667 5.21644 0.00000
|
|
33 14D+1 0.00000 4.88448 0.00000 0.00000 -5.84520
|
|
34 14D-1 0.00000 -2.41727 0.00000 0.00000 5.56485
|
|
35 14D+2 3.58698 0.00000 0.62782 -2.50522 0.00000
|
|
36 14D-2 0.08306 0.00000 3.44721 -0.17329 0.00000
|
|
37 15D 0 1.00100 0.00000 0.95345 2.09764 0.00000
|
|
38 15D+1 0.00000 1.15054 0.00000 0.00000 -0.83354
|
|
39 15D-1 0.00000 0.32090 0.00000 0.00000 1.81799
|
|
40 15D+2 1.23159 0.00000 0.29305 -0.51314 0.00000
|
|
41 15D-2 -0.02695 0.00000 0.11837 0.80221 0.00000
|
|
42 16F 0 0.00000 -0.02654 0.00000 0.00000 0.04674
|
|
43 16F+1 -0.10006 0.00000 0.01552 -0.00573 0.00000
|
|
44 16F-1 -0.02464 0.00000 0.03529 0.01563 0.00000
|
|
45 16F+2 0.00000 -0.03118 0.00000 0.00000 0.05425
|
|
46 16F-2 0.00000 -0.01479 0.00000 0.00000 0.07385
|
|
47 16F+3 0.06451 0.00000 0.04442 -0.04015 0.00000
|
|
48 16F-3 -0.04623 0.00000 -0.02032 -0.00226 0.00000
|
|
49 17F 0 0.00000 0.37467 0.00000 0.00000 -0.43277
|
|
50 17F+1 1.67501 0.00000 -0.21013 0.01684 0.00000
|
|
51 17F-1 0.56520 0.00000 -0.25142 0.08252 0.00000
|
|
52 17F+2 0.00000 0.39068 0.00000 0.00000 -0.47633
|
|
53 17F-2 0.00000 0.23754 0.00000 0.00000 -0.62128
|
|
54 17F+3 -0.92145 0.00000 -0.32536 0.67371 0.00000
|
|
55 17F-3 0.85550 0.00000 0.14039 -0.08885 0.00000
|
|
56 18F 0 0.00000 1.23372 0.00000 0.00000 0.74651
|
|
57 18F+1 0.82826 0.00000 0.35194 0.94645 0.00000
|
|
58 18F-1 0.53214 0.00000 -0.03271 0.02433 0.00000
|
|
59 18F+2 0.00000 1.11601 0.00000 0.00000 0.74996
|
|
60 18F-2 0.00000 0.51041 0.00000 0.00000 -0.40485
|
|
61 18F+3 -0.21414 0.00000 -0.06036 2.54994 0.00000
|
|
62 18F-3 0.19552 0.00000 -0.14581 -0.16382 0.00000
|
|
63 19G 0 0.03934 0.00000 0.05866 -0.00939 0.00000
|
|
64 19G+1 0.00000 0.02541 0.00000 0.00000 0.01616
|
|
65 19G-1 0.00000 -0.02049 0.00000 0.00000 0.01989
|
|
66 19G+2 -0.01048 0.00000 -0.00662 0.01486 0.00000
|
|
67 19G-2 0.07147 0.00000 0.00208 0.00178 0.00000
|
|
68 19G+3 0.00000 -0.02524 0.00000 0.00000 -0.02487
|
|
69 19G-3 0.00000 -0.03301 0.00000 0.00000 0.01769
|
|
70 19G+4 0.00387 0.00000 -0.03773 0.00829 0.00000
|
|
71 19G-4 -0.03961 0.00000 0.03357 0.00921 0.00000
|
|
72 20G 0 -0.42975 0.00000 -1.53834 -0.04735 0.00000
|
|
73 20G+1 0.00000 -0.34410 0.00000 0.00000 1.32691
|
|
74 20G-1 0.00000 0.13188 0.00000 0.00000 0.36146
|
|
75 20G+2 -0.11849 0.00000 0.74554 0.60699 0.00000
|
|
76 20G-2 0.50867 0.00000 0.12498 0.08189 0.00000
|
|
77 20G+3 0.00000 0.89793 0.00000 0.00000 -1.24197
|
|
78 20G-3 0.00000 0.41905 0.00000 0.00000 -0.05580
|
|
79 20G+4 0.22360 0.00000 0.44838 -0.52316 0.00000
|
|
80 20G-4 -0.12176 0.00000 0.32821 0.35024 0.00000
|
|
81 21H 0 0.00000 -0.06080 0.00000 0.00000 0.10103
|
|
82 21H+1 -0.02142 0.00000 -0.10418 0.09597 0.00000
|
|
83 21H-1 -0.00272 0.00000 -0.10593 0.00545 0.00000
|
|
84 21H+2 0.00000 0.16315 0.00000 0.00000 -0.22946
|
|
85 21H-2 0.00000 -0.03457 0.00000 0.00000 0.11839
|
|
86 21H+3 -0.01787 0.00000 0.04079 0.00946 0.00000
|
|
87 21H-3 0.03291 0.00000 0.12902 0.04151 0.00000
|
|
88 21H+4 0.00000 0.01890 0.00000 0.00000 0.06753
|
|
89 21H-4 0.00000 0.06508 0.00000 0.00000 -0.22218
|
|
90 21H+5 -0.00739 0.00000 -0.04229 0.06527 0.00000
|
|
91 21H-5 0.04650 0.00000 -0.02953 0.00879 0.00000
|
|
92 2 O 1S -0.02434 0.00000 0.02122 0.02407 0.00000
|
|
93 2S 0.04303 0.00000 -0.00468 -0.01261 0.00000
|
|
94 3S -0.07553 0.00000 0.16789 0.18619 0.00000
|
|
95 4S 1.84967 0.00000 -0.03780 -1.15958 0.00000
|
|
96 5S -9.98195 0.00000 -5.35008 2.40017 0.00000
|
|
97 6S -7.51642 0.00000 -2.05884 4.22304 0.00000
|
|
98 7PX -0.06165 0.00000 -0.02011 0.01339 0.00000
|
|
99 7PY 0.04785 0.00000 -0.00730 -0.00753 0.00000
|
|
100 7PZ 0.00000 -0.00743 0.00000 0.00000 -0.04138
|
|
101 8PX 0.13392 0.00000 0.14719 0.09046 0.00000
|
|
102 8PY -0.01857 0.00000 -0.11042 -0.11555 0.00000
|
|
103 8PZ 0.00000 -0.01632 0.00000 0.00000 -0.23082
|
|
104 9PX -2.53350 0.00000 -1.77388 -0.16753 0.00000
|
|
105 9PY 1.28421 0.00000 0.54878 0.20743 0.00000
|
|
106 9PZ 0.00000 0.02675 0.00000 0.00000 0.06784
|
|
107 10PX -7.63550 0.00000 -3.46389 2.95001 0.00000
|
|
108 10PY 1.98559 0.00000 2.07430 0.17031 0.00000
|
|
109 10PZ 0.00000 0.66668 0.00000 0.00000 1.01636
|
|
110 11PX -1.03799 0.00000 -0.81946 0.32896 0.00000
|
|
111 11PY 0.31259 0.00000 0.44702 0.21029 0.00000
|
|
112 11PZ 0.00000 0.06445 0.00000 0.00000 -0.03087
|
|
113 12D 0 0.00868 0.00000 -0.00929 -0.01159 0.00000
|
|
114 12D+1 0.00000 0.00507 0.00000 0.00000 -0.00873
|
|
115 12D-1 0.00000 -0.01051 0.00000 0.00000 0.00363
|
|
116 12D+2 -0.01129 0.00000 0.00737 0.01082 0.00000
|
|
117 12D-2 0.01493 0.00000 0.01357 -0.00552 0.00000
|
|
118 13D 0 -0.04540 0.00000 0.00658 0.02730 0.00000
|
|
119 13D+1 0.00000 -0.02289 0.00000 0.00000 0.03943
|
|
120 13D-1 0.00000 0.04077 0.00000 0.00000 -0.02438
|
|
121 13D+2 0.07271 0.00000 -0.00541 -0.01405 0.00000
|
|
122 13D-2 -0.06891 0.00000 -0.07026 0.00413 0.00000
|
|
123 14D 0 0.91559 0.00000 0.27114 -0.31145 0.00000
|
|
124 14D+1 0.00000 0.14836 0.00000 0.00000 -0.36849
|
|
125 14D-1 0.00000 -0.24081 0.00000 0.00000 0.20510
|
|
126 14D+2 -1.40599 0.00000 -0.51813 0.10782 0.00000
|
|
127 14D-2 1.23304 0.00000 0.89147 -0.11953 0.00000
|
|
128 15D 0 1.30803 0.00000 0.16971 -0.74667 0.00000
|
|
129 15D+1 0.00000 0.37833 0.00000 0.00000 0.34288
|
|
130 15D-1 0.00000 0.00612 0.00000 0.00000 0.70605
|
|
131 15D+2 -1.33029 0.00000 -0.05816 0.95384 0.00000
|
|
132 15D-2 0.82955 0.00000 0.19720 -0.45672 0.00000
|
|
133 16F 0 0.00000 -0.00346 0.00000 0.00000 -0.00238
|
|
134 16F+1 -0.01170 0.00000 -0.00593 -0.00532 0.00000
|
|
135 16F-1 0.00408 0.00000 -0.00092 -0.00201 0.00000
|
|
136 16F+2 0.00000 -0.00048 0.00000 0.00000 0.01278
|
|
137 16F-2 0.00000 -0.00259 0.00000 0.00000 -0.00709
|
|
138 16F+3 0.00491 0.00000 0.01700 0.01462 0.00000
|
|
139 16F-3 -0.00982 0.00000 -0.00517 0.00135 0.00000
|
|
140 17F 0 0.00000 0.01080 0.00000 0.00000 0.01345
|
|
141 17F+1 0.12701 0.00000 0.07875 0.03775 0.00000
|
|
142 17F-1 -0.04772 0.00000 -0.00682 0.00085 0.00000
|
|
143 17F+2 0.00000 -0.00280 0.00000 0.00000 -0.07643
|
|
144 17F-2 0.00000 0.00923 0.00000 0.00000 0.04886
|
|
145 17F+3 -0.08015 0.00000 -0.12153 -0.08561 0.00000
|
|
146 17F-3 0.10349 0.00000 0.06438 -0.00768 0.00000
|
|
147 18F 0 0.00000 -0.01192 0.00000 0.00000 -0.00304
|
|
148 18F+1 0.59862 0.00000 -0.09398 -0.43000 0.00000
|
|
149 18F-1 -0.27509 0.00000 -0.17727 -0.05018 0.00000
|
|
150 18F+2 0.00000 0.39915 0.00000 0.00000 0.15140
|
|
151 18F-2 0.00000 0.01801 0.00000 0.00000 0.17751
|
|
152 18F+3 -0.32880 0.00000 0.61101 0.94537 0.00000
|
|
153 18F-3 0.64737 0.00000 0.83858 -0.17489 0.00000
|
|
154 19G 0 -0.00024 0.00000 -0.00363 0.00203 0.00000
|
|
155 19G+1 0.00000 0.00214 0.00000 0.00000 -0.00208
|
|
156 19G-1 0.00000 -0.00289 0.00000 0.00000 0.00498
|
|
157 19G+2 0.00416 0.00000 0.00371 0.00556 0.00000
|
|
158 19G-2 -0.00634 0.00000 -0.00251 -0.00175 0.00000
|
|
159 19G+3 0.00000 0.00205 0.00000 0.00000 -0.00128
|
|
160 19G-3 0.00000 -0.00429 0.00000 0.00000 -0.00248
|
|
161 19G+4 0.00044 0.00000 -0.00012 -0.00675 0.00000
|
|
162 19G-4 0.00210 0.00000 -0.00440 -0.00141 0.00000
|
|
163 20G 0 -0.05905 0.00000 -0.00191 -0.01229 0.00000
|
|
164 20G+1 0.00000 -0.02663 0.00000 0.00000 0.05158
|
|
165 20G-1 0.00000 0.03551 0.00000 0.00000 -0.06306
|
|
166 20G+2 0.04422 0.00000 0.00294 -0.03242 0.00000
|
|
167 20G-2 -0.01732 0.00000 -0.02001 0.00855 0.00000
|
|
168 20G+3 0.00000 -0.01074 0.00000 0.00000 -0.00073
|
|
169 20G-3 0.00000 0.03181 0.00000 0.00000 0.04211
|
|
170 20G+4 -0.01120 0.00000 0.00444 0.05820 0.00000
|
|
171 20G-4 0.09940 0.00000 0.12100 0.03423 0.00000
|
|
172 21H 0 0.00000 -0.00192 0.00000 0.00000 -0.00673
|
|
173 21H+1 -0.00671 0.00000 0.00608 0.00623 0.00000
|
|
174 21H-1 0.00299 0.00000 0.00240 -0.00290 0.00000
|
|
175 21H+2 0.00000 -0.00660 0.00000 0.00000 0.00192
|
|
176 21H-2 0.00000 -0.00227 0.00000 0.00000 -0.00581
|
|
177 21H+3 -0.00164 0.00000 -0.00528 -0.00880 0.00000
|
|
178 21H-3 -0.00930 0.00000 0.00083 -0.00005 0.00000
|
|
179 21H+4 0.00000 -0.00316 0.00000 0.00000 0.00281
|
|
180 21H-4 0.00000 -0.00596 0.00000 0.00000 0.00412
|
|
181 21H+5 -0.00179 0.00000 0.00519 0.00256 0.00000
|
|
182 21H-5 0.00717 0.00000 0.01077 0.00706 0.00000
|
|
183 3 H 1S -0.01213 0.00000 -0.00619 0.00027 0.00000
|
|
184 2S 1.53519 0.00000 0.23796 -0.49465 0.00000
|
|
185 3S -10.85510 0.00000 4.39391 10.73908 0.00000
|
|
186 4S -10.53553 0.00000 2.37718 6.83239 0.00000
|
|
187 5S -0.46936 0.00000 -0.08978 0.12225 0.00000
|
|
188 6PX 0.00154 0.00000 0.00188 -0.00639 0.00000
|
|
189 6PY 0.00771 0.00000 -0.00151 -0.01831 0.00000
|
|
190 6PZ 0.00000 0.01580 0.00000 0.00000 -0.00405
|
|
191 7PX 0.12776 0.00000 -0.04162 -0.03979 0.00000
|
|
192 7PY -0.09986 0.00000 -0.02036 0.15780 0.00000
|
|
193 7PZ 0.00000 -0.15443 0.00000 0.00000 0.16040
|
|
194 8PX -5.03062 0.00000 2.60323 4.21573 0.00000
|
|
195 8PY 1.96233 0.00000 0.34658 -3.61476 0.00000
|
|
196 8PZ 0.00000 2.06705 0.00000 0.00000 -4.42448
|
|
197 9PX -5.70224 0.00000 0.95042 2.71406 0.00000
|
|
198 9PY 1.55352 0.00000 -0.07764 -2.37774 0.00000
|
|
199 9PZ 0.00000 0.84093 0.00000 0.00000 -2.96944
|
|
200 10D 0 -0.00631 0.00000 -0.03244 0.04185 0.00000
|
|
201 10D+1 0.00000 -0.03920 0.00000 0.00000 0.08925
|
|
202 10D-1 0.00000 -0.00992 0.00000 0.00000 -0.04246
|
|
203 10D+2 0.04137 0.00000 -0.04999 -0.03244 0.00000
|
|
204 10D-2 -0.01837 0.00000 0.00794 0.00457 0.00000
|
|
205 11D 0 0.17525 0.00000 0.11645 -0.35943 0.00000
|
|
206 11D+1 0.00000 0.29753 0.00000 0.00000 -0.73024
|
|
207 11D-1 0.00000 0.01465 0.00000 0.00000 0.32169
|
|
208 11D+2 -0.41208 0.00000 0.41507 0.34385 0.00000
|
|
209 11D-2 0.24779 0.00000 -0.03740 -0.17240 0.00000
|
|
210 12D 0 1.02883 0.00000 -0.54690 -0.46281 0.00000
|
|
211 12D+1 0.00000 1.32850 0.00000 0.00000 -3.38394
|
|
212 12D-1 0.00000 -0.46190 0.00000 0.00000 1.29147
|
|
213 12D+2 -1.52284 0.00000 0.64030 0.18463 0.00000
|
|
214 12D-2 1.34407 0.00000 0.48399 -2.25993 0.00000
|
|
215 13F 0 0.00000 0.07723 0.00000 0.00000 0.02293
|
|
216 13F+1 0.02521 0.00000 -0.02224 0.02075 0.00000
|
|
217 13F-1 -0.01724 0.00000 0.01925 0.03510 0.00000
|
|
218 13F+2 0.00000 0.02478 0.00000 0.00000 0.02758
|
|
219 13F-2 0.00000 -0.04769 0.00000 0.00000 -0.04081
|
|
220 13F+3 0.00115 0.00000 -0.01229 0.01675 0.00000
|
|
221 13F-3 0.00770 0.00000 0.01820 -0.00156 0.00000
|
|
222 14F 0 0.00000 -0.91754 0.00000 0.00000 0.58146
|
|
223 14F+1 0.09176 0.00000 -0.04249 -0.40480 0.00000
|
|
224 14F-1 0.02581 0.00000 -0.16416 -0.12004 0.00000
|
|
225 14F+2 0.00000 0.09256 0.00000 0.00000 -0.97784
|
|
226 14F-2 0.00000 0.08682 0.00000 0.00000 0.99825
|
|
227 14F+3 -0.24671 0.00000 0.38733 -0.18670 0.00000
|
|
228 14F-3 0.39535 0.00000 -0.01291 -0.41103 0.00000
|
|
229 15G 0 -0.00838 0.00000 0.01252 0.01020 0.00000
|
|
230 15G+1 0.00000 -0.02080 0.00000 0.00000 0.05574
|
|
231 15G-1 0.00000 0.01126 0.00000 0.00000 -0.02171
|
|
232 15G+2 0.01054 0.00000 -0.01392 -0.00347 0.00000
|
|
233 15G-2 -0.01026 0.00000 0.00474 0.01359 0.00000
|
|
234 15G+3 0.00000 0.00638 0.00000 0.00000 -0.02624
|
|
235 15G-3 0.00000 -0.01884 0.00000 0.00000 0.04424
|
|
236 15G+4 -0.00307 0.00000 0.01488 -0.01716 0.00000
|
|
237 15G-4 0.02733 0.00000 0.00988 -0.01747 0.00000
|
|
238 4 H 1S -0.01331 0.00000 0.00272 0.01369 0.00000
|
|
239 2S -0.59753 0.00000 -0.88407 -0.81743 0.00000
|
|
240 3S 11.77226 0.00000 5.87571 -2.11842 0.00000
|
|
241 4S 6.41677 0.00000 3.74883 -1.85270 0.00000
|
|
242 5S -0.10918 0.00000 0.12003 0.22755 0.00000
|
|
243 6PX 0.01540 0.00000 0.00934 0.00991 0.00000
|
|
244 6PY 0.00129 0.00000 -0.01092 -0.00319 0.00000
|
|
245 6PZ 0.00000 -0.00426 0.00000 0.00000 -0.00466
|
|
246 7PX 0.06214 0.00000 0.04650 -0.04206 0.00000
|
|
247 7PY -0.03868 0.00000 0.07121 0.02914 0.00000
|
|
248 7PZ 0.00000 0.03285 0.00000 0.00000 0.00104
|
|
249 8PX -5.58742 0.00000 -3.38374 0.62371 0.00000
|
|
250 8PY 1.77130 0.00000 0.05895 -0.58600 0.00000
|
|
251 8PZ 0.00000 -0.44610 0.00000 0.00000 0.07090
|
|
252 9PX -3.83781 0.00000 -2.45581 0.58879 0.00000
|
|
253 9PY 1.09159 0.00000 0.68027 -0.06955 0.00000
|
|
254 9PZ 0.00000 -0.20266 0.00000 0.00000 0.00338
|
|
255 10D 0 -0.00628 0.00000 -0.00924 -0.02783 0.00000
|
|
256 10D+1 0.00000 -0.00407 0.00000 0.00000 0.01204
|
|
257 10D-1 0.00000 -0.00900 0.00000 0.00000 -0.01450
|
|
258 10D+2 -0.05273 0.00000 -0.03542 -0.01384 0.00000
|
|
259 10D-2 0.02224 0.00000 0.00567 -0.00052 0.00000
|
|
260 11D 0 -0.22930 0.00000 -0.09064 0.16843 0.00000
|
|
261 11D+1 0.00000 0.03456 0.00000 0.00000 -0.11125
|
|
262 11D-1 0.00000 0.04347 0.00000 0.00000 0.09988
|
|
263 11D+2 0.67968 0.00000 0.43603 0.10487 0.00000
|
|
264 11D-2 -0.38216 0.00000 -0.11435 0.07183 0.00000
|
|
265 12D 0 -0.99030 0.00000 -0.62446 -0.11524 0.00000
|
|
266 12D+1 0.00000 0.24940 0.00000 0.00000 -0.15117
|
|
267 12D-1 0.00000 -0.14050 0.00000 0.00000 -0.16486
|
|
268 12D+2 1.35784 0.00000 1.24557 -0.05221 0.00000
|
|
269 12D-2 -0.82986 0.00000 -0.45035 0.07972 0.00000
|
|
270 13F 0 0.00000 0.01378 0.00000 0.00000 0.02994
|
|
271 13F+1 0.00371 0.00000 0.05805 0.03087 0.00000
|
|
272 13F-1 -0.04102 0.00000 0.00689 -0.02025 0.00000
|
|
273 13F+2 0.00000 0.00053 0.00000 0.00000 0.00506
|
|
274 13F-2 0.00000 -0.00842 0.00000 0.00000 -0.03017
|
|
275 13F+3 -0.02627 0.00000 -0.00808 -0.02242 0.00000
|
|
276 13F-3 0.02607 0.00000 -0.01536 -0.01556 0.00000
|
|
277 14F 0 0.00000 -0.06239 0.00000 0.00000 -0.37740
|
|
278 14F+1 0.45929 0.00000 -0.17947 -0.21260 0.00000
|
|
279 14F-1 0.19490 0.00000 -0.08230 0.16557 0.00000
|
|
280 14F+2 0.00000 -0.04221 0.00000 0.00000 0.12471
|
|
281 14F-2 0.00000 0.11185 0.00000 0.00000 0.18923
|
|
282 14F+3 -0.25840 0.00000 -0.39912 0.07653 0.00000
|
|
283 14F-3 0.29667 0.00000 0.46170 0.15299 0.00000
|
|
284 15G 0 0.01096 0.00000 0.00210 0.00102 0.00000
|
|
285 15G+1 0.00000 -0.00405 0.00000 0.00000 0.01323
|
|
286 15G-1 0.00000 0.00020 0.00000 0.00000 -0.00001
|
|
287 15G+2 -0.01413 0.00000 -0.00972 0.00003 0.00000
|
|
288 15G-2 0.00809 0.00000 0.00467 0.00373 0.00000
|
|
289 15G+3 0.00000 -0.00016 0.00000 0.00000 -0.01299
|
|
290 15G-3 0.00000 -0.00276 0.00000 0.00000 0.00573
|
|
291 15G+4 0.01209 0.00000 0.01188 0.00012 0.00000
|
|
292 15G-4 -0.01980 0.00000 -0.02862 -0.00919 0.00000
|
|
293 5 H 1S -0.00464 -0.00255 0.00619 0.00188 -0.00397
|
|
294 2S 0.97259 0.26698 -0.16159 0.13499 0.06088
|
|
295 3S -8.54467 -2.68181 -1.71209 -4.11644 -3.89225
|
|
296 4S -9.24332 -1.76999 -0.80318 -2.03544 -3.61359
|
|
297 5S -0.26015 0.03051 0.07183 0.08083 -0.27341
|
|
298 6PX -0.00077 -0.01079 -0.01340 0.00294 0.00590
|
|
299 6PY 0.00305 0.01026 -0.00346 0.00892 0.00922
|
|
300 6PZ -0.00200 -0.00041 0.00511 -0.00957 0.00976
|
|
301 7PX -0.03199 0.09067 0.14803 -0.03360 -0.11617
|
|
302 7PY -0.05393 -0.10248 0.03374 -0.08853 -0.02498
|
|
303 7PZ -0.07987 -0.02891 -0.06595 0.04275 -0.06438
|
|
304 8PX 1.48034 -0.78229 -1.75024 0.59105 3.16716
|
|
305 8PY 1.54520 2.14337 -0.02290 2.12429 0.02224
|
|
306 8PZ 3.32023 0.66218 1.76532 0.84127 0.91308
|
|
307 9PX 1.93188 -0.13423 -0.72675 0.07676 2.30519
|
|
308 9PY 1.67835 1.26959 0.16537 1.25336 0.12391
|
|
309 9PZ 3.73203 0.36056 0.45708 0.35422 0.77763
|
|
310 10D 0 0.02150 0.01549 0.03562 -0.00253 -0.01320
|
|
311 10D+1 0.01570 0.01461 -0.02677 0.02372 0.03452
|
|
312 10D-1 0.01494 0.00552 0.01126 0.01569 -0.01448
|
|
313 10D+2 0.01055 -0.04421 -0.00519 -0.00919 0.03249
|
|
314 10D-2 0.00989 -0.01872 0.00607 0.00423 0.00719
|
|
315 11D 0 -0.27210 -0.12304 -0.32808 -0.04322 0.10052
|
|
316 11D+1 -0.21860 -0.07482 0.18689 -0.17026 -0.30355
|
|
317 11D-1 -0.20039 -0.10256 -0.10520 -0.15907 0.12668
|
|
318 11D+2 -0.06500 0.27767 0.07290 0.06770 -0.25183
|
|
319 11D-2 -0.10515 0.09455 0.01494 -0.06153 -0.07345
|
|
320 12D 0 -0.77106 0.12742 -1.10404 0.44825 0.48791
|
|
321 12D+1 -0.80507 0.78556 0.63111 0.14975 -1.73016
|
|
322 12D-1 -0.95060 -1.21417 -0.28991 -0.99602 0.52503
|
|
323 12D+2 -0.00434 0.66222 0.65449 0.46369 -1.14214
|
|
324 12D-2 -0.20703 -0.48403 0.95167 -0.35845 -0.74506
|
|
325 13F 0 0.01808 0.01031 0.00117 0.03234 0.01285
|
|
326 13F+1 0.01130 -0.02228 0.00328 -0.00044 -0.00957
|
|
327 13F-1 0.00605 0.01212 0.00671 -0.01531 0.01938
|
|
328 13F+2 -0.00692 0.02983 0.01131 -0.02618 0.00852
|
|
329 13F-2 0.03630 0.01999 -0.01295 0.01641 -0.00154
|
|
330 13F+3 0.02089 0.01421 -0.00826 0.04638 -0.00382
|
|
331 13F-3 -0.02652 -0.00625 -0.00997 0.02299 0.00675
|
|
332 14F 0 -0.05216 -0.07402 0.39916 -0.38604 -0.33655
|
|
333 14F+1 0.20012 0.03655 0.02383 -0.01749 0.44015
|
|
334 14F-1 0.24910 0.18411 0.23688 0.24272 -0.47952
|
|
335 14F+2 0.03991 -0.55964 -0.34909 0.06165 0.44425
|
|
336 14F-2 -0.10885 -0.09230 -0.16411 0.03502 0.16585
|
|
337 14F+3 -0.18600 -0.21246 0.11639 -0.47188 0.11775
|
|
338 14F-3 0.21516 -0.02606 -0.16745 -0.17196 0.12397
|
|
339 15G 0 0.00695 0.00294 -0.01024 0.00721 0.01537
|
|
340 15G+1 -0.01160 0.01018 -0.01629 0.00738 -0.01151
|
|
341 15G-1 -0.01136 -0.00988 -0.02123 0.00162 0.01989
|
|
342 15G+2 0.00073 0.02380 0.01433 0.01015 -0.03738
|
|
343 15G-2 -0.01529 -0.00436 0.00442 -0.00578 -0.00703
|
|
344 15G+3 0.00468 0.01241 -0.00507 0.01114 -0.01194
|
|
345 15G-3 0.00015 0.00690 0.02336 0.00012 -0.02022
|
|
346 15G+4 -0.00209 -0.00039 -0.00876 0.00133 0.00137
|
|
347 15G-4 0.00225 0.00064 0.00484 0.00324 -0.00584
|
|
348 6 H 1S -0.00464 0.00255 0.00619 0.00188 0.00397
|
|
349 2S 0.97259 -0.26698 -0.16159 0.13499 -0.06088
|
|
350 3S -8.54467 2.68181 -1.71209 -4.11644 3.89225
|
|
351 4S -9.24332 1.76999 -0.80318 -2.03544 3.61359
|
|
352 5S -0.26015 -0.03051 0.07183 0.08083 0.27341
|
|
353 6PX -0.00077 0.01079 -0.01340 0.00294 -0.00590
|
|
354 6PY 0.00305 -0.01026 -0.00346 0.00892 -0.00922
|
|
355 6PZ 0.00200 -0.00041 -0.00511 0.00957 0.00976
|
|
356 7PX -0.03199 -0.09067 0.14803 -0.03360 0.11617
|
|
357 7PY -0.05393 0.10248 0.03374 -0.08853 0.02498
|
|
358 7PZ 0.07987 -0.02891 0.06595 -0.04275 -0.06438
|
|
359 8PX 1.48034 0.78229 -1.75024 0.59105 -3.16716
|
|
360 8PY 1.54520 -2.14337 -0.02290 2.12429 -0.02224
|
|
361 8PZ -3.32023 0.66218 -1.76532 -0.84127 0.91308
|
|
362 9PX 1.93188 0.13423 -0.72675 0.07676 -2.30519
|
|
363 9PY 1.67835 -1.26959 0.16537 1.25336 -0.12391
|
|
364 9PZ -3.73203 0.36056 -0.45708 -0.35422 0.77763
|
|
365 10D 0 0.02150 -0.01549 0.03562 -0.00253 0.01320
|
|
366 10D+1 -0.01570 0.01461 0.02677 -0.02372 0.03452
|
|
367 10D-1 -0.01494 0.00552 -0.01126 -0.01569 -0.01448
|
|
368 10D+2 0.01055 0.04421 -0.00519 -0.00919 -0.03249
|
|
369 10D-2 0.00989 0.01872 0.00607 0.00423 -0.00719
|
|
370 11D 0 -0.27210 0.12304 -0.32808 -0.04322 -0.10052
|
|
371 11D+1 0.21860 -0.07482 -0.18689 0.17026 -0.30355
|
|
372 11D-1 0.20039 -0.10256 0.10520 0.15907 0.12668
|
|
373 11D+2 -0.06500 -0.27767 0.07290 0.06770 0.25183
|
|
374 11D-2 -0.10515 -0.09455 0.01494 -0.06153 0.07345
|
|
375 12D 0 -0.77106 -0.12742 -1.10404 0.44825 -0.48791
|
|
376 12D+1 0.80507 0.78556 -0.63111 -0.14975 -1.73016
|
|
377 12D-1 0.95060 -1.21417 0.28991 0.99602 0.52503
|
|
378 12D+2 -0.00434 -0.66222 0.65449 0.46369 1.14214
|
|
379 12D-2 -0.20703 0.48403 0.95167 -0.35845 0.74506
|
|
380 13F 0 -0.01808 0.01031 -0.00117 -0.03234 0.01285
|
|
381 13F+1 0.01130 0.02228 0.00328 -0.00044 0.00957
|
|
382 13F-1 0.00605 -0.01212 0.00671 -0.01531 -0.01938
|
|
383 13F+2 0.00692 0.02983 -0.01131 0.02618 0.00852
|
|
384 13F-2 -0.03630 0.01999 0.01295 -0.01641 -0.00154
|
|
385 13F+3 0.02089 -0.01421 -0.00826 0.04638 0.00382
|
|
386 13F-3 -0.02652 0.00625 -0.00997 0.02299 -0.00675
|
|
387 14F 0 0.05216 -0.07402 -0.39916 0.38604 -0.33655
|
|
388 14F+1 0.20012 -0.03655 0.02383 -0.01749 -0.44015
|
|
389 14F-1 0.24910 -0.18411 0.23688 0.24272 0.47952
|
|
390 14F+2 -0.03991 -0.55964 0.34909 -0.06165 0.44425
|
|
391 14F-2 0.10885 -0.09230 0.16411 -0.03502 0.16585
|
|
392 14F+3 -0.18600 0.21246 0.11639 -0.47188 -0.11775
|
|
393 14F-3 0.21516 0.02606 -0.16745 -0.17196 -0.12397
|
|
394 15G 0 0.00695 -0.00294 -0.01024 0.00721 -0.01537
|
|
395 15G+1 0.01160 0.01018 0.01629 -0.00738 -0.01151
|
|
396 15G-1 0.01136 -0.00988 0.02123 -0.00162 0.01989
|
|
397 15G+2 0.00073 -0.02380 0.01433 0.01015 0.03738
|
|
398 15G-2 -0.01529 0.00436 0.00442 -0.00578 0.00703
|
|
399 15G+3 -0.00468 0.01241 0.00507 -0.01114 -0.01194
|
|
400 15G-3 -0.00015 0.00690 -0.02336 -0.00012 -0.02022
|
|
401 15G+4 -0.00209 0.00039 -0.00876 0.00133 -0.00137
|
|
402 15G-4 0.00225 -0.00064 0.00484 0.00324 0.00584
|
|
136 137 138 139 140
|
|
V V V V V
|
|
Eigenvalues -- 4.46116 4.48732 4.49635 4.53655 4.57549
|
|
1 1 C 1S 0.00920 -0.04874 0.00000 0.00000 0.00537
|
|
2 2S 0.01552 -0.00838 0.00000 0.00000 -0.00895
|
|
3 3S 0.27262 -0.71107 0.00000 0.00000 -0.01971
|
|
4 4S -1.46032 0.06188 0.00000 0.00000 1.48050
|
|
5 5S 1.44223 19.23130 0.00000 0.00000 -6.29729
|
|
6 6S 0.84719 6.30321 0.00000 0.00000 -0.37116
|
|
7 7PX 0.03697 0.02421 0.00000 0.00000 0.00548
|
|
8 7PY 0.01424 -0.01091 0.00000 0.00000 -0.00243
|
|
9 7PZ 0.00000 0.00000 0.03662 -0.01299 0.00000
|
|
10 8PX -0.96366 0.40131 0.00000 0.00000 0.06112
|
|
11 8PY -0.21169 0.90655 0.00000 0.00000 -1.68535
|
|
12 8PZ 0.00000 0.00000 0.39396 0.16554 0.00000
|
|
13 9PX 10.85391 -0.35735 0.00000 0.00000 0.20430
|
|
14 9PY 0.75451 -2.27420 0.00000 0.00000 9.91459
|
|
15 9PZ 0.00000 0.00000 2.47674 -3.21809 0.00000
|
|
16 10PX 3.95932 -0.60612 0.00000 0.00000 -1.31491
|
|
17 10PY -1.35270 -6.61177 0.00000 0.00000 3.55477
|
|
18 10PZ 0.00000 0.00000 -1.18181 -3.66196 0.00000
|
|
19 11PX 0.96153 0.28673 0.00000 0.00000 0.05376
|
|
20 11PY -0.04106 -0.31900 0.00000 0.00000 0.29668
|
|
21 11PZ 0.00000 0.00000 0.68021 -0.30220 0.00000
|
|
22 12D 0 -0.03263 -0.00913 0.00000 0.00000 0.01060
|
|
23 12D+1 0.00000 0.00000 -0.02152 0.02882 0.00000
|
|
24 12D-1 0.00000 0.00000 0.00173 0.02869 0.00000
|
|
25 12D+2 0.01960 -0.01631 0.00000 0.00000 0.00511
|
|
26 12D-2 0.01364 0.00816 0.00000 0.00000 -0.00587
|
|
27 13D 0 0.82652 0.18264 0.00000 0.00000 0.13330
|
|
28 13D+1 0.00000 0.00000 0.35750 -0.24345 0.00000
|
|
29 13D-1 0.00000 0.00000 -0.16275 -0.20487 0.00000
|
|
30 13D+2 -0.28769 0.21711 0.00000 0.00000 0.32999
|
|
31 13D-2 -0.50269 -0.19326 0.00000 0.00000 0.10456
|
|
32 14D 0 -5.15281 -0.73298 0.00000 0.00000 -1.93802
|
|
33 14D+1 0.00000 0.00000 -0.39453 -2.15773 0.00000
|
|
34 14D-1 0.00000 0.00000 4.32979 0.82252 0.00000
|
|
35 14D+2 -0.13194 -0.34713 0.00000 0.00000 -3.76877
|
|
36 14D-2 7.35486 3.82619 0.00000 0.00000 -0.02262
|
|
37 15D 0 -1.16065 -1.79774 0.00000 0.00000 -0.89242
|
|
38 15D+1 0.00000 0.00000 -0.49351 -1.76287 0.00000
|
|
39 15D-1 0.00000 0.00000 1.67160 -0.24194 0.00000
|
|
40 15D+2 -0.60227 -0.93321 0.00000 0.00000 -0.03022
|
|
41 15D-2 4.09163 0.58216 0.00000 0.00000 -1.27501
|
|
42 16F 0 0.00000 0.00000 -0.01583 0.02555 0.00000
|
|
43 16F+1 0.03179 -0.01739 0.00000 0.00000 0.09645
|
|
44 16F-1 0.01602 -0.04885 0.00000 0.00000 -0.01802
|
|
45 16F+2 0.00000 0.00000 0.00482 -0.01961 0.00000
|
|
46 16F-2 0.00000 0.00000 -0.03445 -0.00303 0.00000
|
|
47 16F+3 0.05069 0.02809 0.00000 0.00000 -0.01838
|
|
48 16F-3 -0.03803 0.00574 0.00000 0.00000 -0.02660
|
|
49 17F 0 0.00000 0.00000 0.07183 -0.33348 0.00000
|
|
50 17F+1 -0.49556 0.60287 0.00000 0.00000 -1.04353
|
|
51 17F-1 -0.12788 0.71018 0.00000 0.00000 0.16361
|
|
52 17F+2 0.00000 0.00000 -0.21053 0.14209 0.00000
|
|
53 17F-2 0.00000 0.00000 0.46483 -0.20621 0.00000
|
|
54 17F+3 -0.49388 -0.48122 0.00000 0.00000 0.26740
|
|
55 17F-3 0.16939 0.04582 0.00000 0.00000 0.35483
|
|
56 18F 0 0.00000 0.00000 0.66312 -0.48156 0.00000
|
|
57 18F+1 0.41052 0.36887 0.00000 0.00000 -1.21509
|
|
58 18F-1 -0.14866 0.64851 0.00000 0.00000 -0.37703
|
|
59 18F+2 0.00000 0.00000 0.53876 0.29788 0.00000
|
|
60 18F-2 0.00000 0.00000 -0.05073 -0.87402 0.00000
|
|
61 18F+3 1.27884 -0.32504 0.00000 0.00000 0.25059
|
|
62 18F-3 0.05356 0.95888 0.00000 0.00000 0.39197
|
|
63 19G 0 -0.05584 -0.00120 0.00000 0.00000 0.03313
|
|
64 19G+1 0.00000 0.00000 0.02442 -0.02701 0.00000
|
|
65 19G-1 0.00000 0.00000 0.06155 -0.02270 0.00000
|
|
66 19G+2 0.01298 0.00307 0.00000 0.00000 0.01520
|
|
67 19G-2 -0.00110 0.05918 0.00000 0.00000 0.00054
|
|
68 19G+3 0.00000 0.00000 -0.00640 0.05669 0.00000
|
|
69 19G-3 0.00000 0.00000 0.04732 -0.03691 0.00000
|
|
70 19G+4 0.02805 -0.01564 0.00000 0.00000 -0.03638
|
|
71 19G-4 0.05993 -0.04042 0.00000 0.00000 0.00044
|
|
72 20G 0 -1.29525 -0.08189 0.00000 0.00000 -1.21396
|
|
73 20G+1 0.00000 0.00000 -0.29696 0.06206 0.00000
|
|
74 20G-1 0.00000 0.00000 -0.68599 0.04339 0.00000
|
|
75 20G+2 0.35852 -0.22392 0.00000 0.00000 -1.26798
|
|
76 20G-2 0.30779 -0.34895 0.00000 0.00000 0.52142
|
|
77 20G+3 0.00000 0.00000 -0.72668 -0.89362 0.00000
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333 14F+1 0.26755 0.09673 0.43881 0.12291 0.41405
|
|
334 14F-1 0.37798 0.13390 -0.36772 -0.25150 -0.23902
|
|
335 14F+2 -0.19372 0.31752 0.18962 0.00734 0.69890
|
|
336 14F-2 -0.70716 0.16632 -0.04834 0.11981 -0.33783
|
|
337 14F+3 0.06404 -0.09903 0.01285 0.18199 0.12783
|
|
338 14F-3 -0.45479 -0.16013 0.02695 -0.13136 -0.18850
|
|
339 15G 0 -0.03806 0.00126 -0.00207 -0.00983 -0.00954
|
|
340 15G+1 -0.03867 -0.00663 -0.01646 -0.00210 -0.02564
|
|
341 15G-1 -0.03252 -0.01024 0.00673 0.00587 -0.00500
|
|
342 15G+2 0.00593 -0.00374 -0.01986 -0.00312 -0.02980
|
|
343 15G-2 0.00965 -0.00876 0.00000 0.00592 0.00695
|
|
344 15G+3 -0.00944 -0.00274 -0.00320 -0.00182 -0.02675
|
|
345 15G-3 0.02397 -0.00356 -0.00585 0.00304 0.00188
|
|
346 15G+4 -0.00979 0.00064 0.00172 0.00092 -0.01024
|
|
347 15G-4 0.00287 0.00034 -0.00152 0.00218 -0.00417
|
|
348 6 H 1S -0.00494 -0.02057 0.02639 -0.02458 0.00009
|
|
349 2S 0.11674 0.77262 -0.80283 0.88576 -0.19117
|
|
350 3S -2.25892 -3.82964 2.89799 -3.56098 1.03182
|
|
351 4S -2.40498 -2.13747 1.23555 -3.90308 0.63262
|
|
352 5S -0.20872 -0.42519 0.52138 0.00770 -0.13699
|
|
353 6PX 0.00520 0.00706 -0.00396 0.00215 -0.00026
|
|
354 6PY 0.00613 -0.00215 -0.00988 0.01999 -0.01165
|
|
355 6PZ -0.00413 -0.01095 0.01715 -0.01674 -0.01130
|
|
356 7PX 0.03858 -0.08029 0.07383 -0.04191 -0.00772
|
|
357 7PY 0.01131 -0.00288 0.04641 -0.18087 0.17094
|
|
358 7PZ 0.09426 0.13638 -0.17586 0.15700 0.08739
|
|
359 8PX -1.99289 0.75365 -1.28643 0.50451 0.46075
|
|
360 8PY -0.93974 0.54220 0.28633 1.16490 -2.74019
|
|
361 8PZ -2.94727 -1.87950 1.55759 -1.00447 -1.09503
|
|
362 9PX -1.63500 0.18073 -1.13719 0.61198 0.24924
|
|
363 9PY -0.91073 0.91579 0.38912 1.05496 -1.47006
|
|
364 9PZ -2.79560 -1.61656 1.12499 -1.35219 -0.36359
|
|
365 10D 0 0.06044 0.01890 -0.00985 -0.00310 0.01866
|
|
366 10D+1 0.02774 -0.02277 0.01778 0.01488 -0.01698
|
|
367 10D-1 0.00162 0.01376 -0.01368 -0.02760 0.04825
|
|
368 10D+2 -0.00946 -0.01078 -0.02277 0.00729 0.01449
|
|
369 10D-2 -0.04817 0.00022 0.01122 0.01794 0.00442
|
|
370 11D 0 -0.47808 -0.11424 0.07266 0.06093 -0.16615
|
|
371 11D+1 -0.20075 0.15312 -0.11878 -0.11924 0.12491
|
|
372 11D-1 -0.03570 -0.06022 0.16007 0.15931 -0.38760
|
|
373 11D+2 0.07112 0.06408 0.17461 -0.03513 -0.14282
|
|
374 11D-2 0.36745 -0.00370 -0.10035 -0.10510 0.03041
|
|
375 12D 0 -2.88485 -0.70738 0.63466 -0.10326 -1.11692
|
|
376 12D+1 -0.60886 0.34682 -1.09406 0.33906 0.85185
|
|
377 12D-1 -0.06136 0.57934 0.23169 0.60502 -1.24867
|
|
378 12D+2 0.46191 -0.10872 0.48352 0.19100 -0.98098
|
|
379 12D-2 1.35392 -0.19894 0.17272 -0.27602 0.95172
|
|
380 13F 0 0.00508 0.02408 0.00314 -0.00044 0.00773
|
|
381 13F+1 -0.00634 0.00952 0.01655 0.01336 -0.00471
|
|
382 13F-1 -0.01655 -0.00036 -0.02529 -0.01016 0.00342
|
|
383 13F+2 -0.00608 0.03036 0.00784 0.00794 0.02799
|
|
384 13F-2 -0.02900 0.01178 0.00333 -0.02823 -0.00237
|
|
385 13F+3 0.00921 0.01596 -0.00531 0.02039 0.01776
|
|
386 13F-3 0.01880 0.02173 0.00049 -0.01325 0.01802
|
|
387 14F 0 -0.87008 -0.28089 0.09345 0.11569 -0.41212
|
|
388 14F+1 0.26755 0.09673 -0.43881 -0.12291 0.41405
|
|
389 14F-1 0.37798 0.13390 0.36772 0.25150 -0.23902
|
|
390 14F+2 0.19372 -0.31752 0.18962 0.00734 -0.69890
|
|
391 14F-2 0.70716 -0.16632 -0.04834 0.11981 0.33783
|
|
392 14F+3 0.06404 -0.09903 -0.01285 -0.18199 0.12783
|
|
393 14F-3 -0.45479 -0.16013 -0.02695 0.13136 -0.18850
|
|
394 15G 0 -0.03806 0.00126 0.00207 0.00983 -0.00954
|
|
395 15G+1 0.03867 0.00663 -0.01646 -0.00210 0.02564
|
|
396 15G-1 0.03252 0.01024 0.00673 0.00587 0.00500
|
|
397 15G+2 0.00593 -0.00374 0.01986 0.00312 -0.02980
|
|
398 15G-2 0.00965 -0.00876 0.00000 -0.00592 0.00695
|
|
399 15G+3 0.00944 0.00274 -0.00320 -0.00182 0.02675
|
|
400 15G-3 -0.02397 0.00356 -0.00585 0.00304 -0.00188
|
|
401 15G+4 -0.00979 0.00064 -0.00172 -0.00092 -0.01024
|
|
402 15G-4 0.00287 0.00034 0.00152 -0.00218 -0.00417
|
|
141 142 143 144 145
|
|
V V V V V
|
|
Eigenvalues -- 4.63606 4.67809 4.69610 4.72630 4.74367
|
|
1 1 C 1S -0.04821 0.00000 -0.00291 0.00000 0.01982
|
|
2 2S -0.03027 0.00000 0.00339 0.00000 0.05021
|
|
3 3S -0.94651 0.00000 -0.09876 0.00000 0.73458
|
|
4 4S 0.84202 0.00000 1.33864 0.00000 -2.41802
|
|
5 5S 20.61603 0.00000 -5.77401 0.00000 -4.99422
|
|
6 6S 3.60579 0.00000 -2.24411 0.00000 -0.63780
|
|
7 7PX 0.03071 0.00000 0.03918 0.00000 0.03225
|
|
8 7PY -0.00399 0.00000 -0.02634 0.00000 0.01345
|
|
9 7PZ 0.00000 0.00374 0.00000 -0.01449 0.00000
|
|
10 8PX -0.52032 0.00000 1.12916 0.00000 0.87304
|
|
11 8PY 0.30450 0.00000 -0.41847 0.00000 1.23146
|
|
12 8PZ 0.00000 -0.35918 0.00000 -1.07570 0.00000
|
|
13 9PX 6.57794 0.00000 -5.29884 0.00000 2.04587
|
|
14 9PY 2.08779 0.00000 1.56995 0.00000 -9.64643
|
|
15 9PZ 0.00000 1.45943 0.00000 4.93764 0.00000
|
|
16 10PX 3.77458 0.00000 -5.57324 0.00000 1.62404
|
|
17 10PY -0.22889 0.00000 4.25255 0.00000 -6.12945
|
|
18 10PZ 0.00000 2.11450 0.00000 3.51204 0.00000
|
|
19 11PX 0.59217 0.00000 0.48840 0.00000 0.15483
|
|
20 11PY 0.03640 0.00000 0.02283 0.00000 -0.18567
|
|
21 11PZ 0.00000 0.29323 0.00000 0.27131 0.00000
|
|
22 12D 0 -0.03608 0.00000 -0.00387 0.00000 -0.04011
|
|
23 12D+1 0.00000 -0.00484 0.00000 0.01868 0.00000
|
|
24 12D-1 0.00000 0.00498 0.00000 -0.01602 0.00000
|
|
25 12D+2 -0.00027 0.00000 0.01194 0.00000 0.03194
|
|
26 12D-2 -0.03379 0.00000 0.00798 0.00000 -0.02388
|
|
27 13D 0 0.38326 0.00000 -0.12169 0.00000 0.35676
|
|
28 13D+1 0.00000 0.13048 0.00000 0.06507 0.00000
|
|
29 13D-1 0.00000 0.07545 0.00000 0.45155 0.00000
|
|
30 13D+2 -0.19525 0.00000 -0.50824 0.00000 -0.01286
|
|
31 13D-2 0.34433 0.00000 -0.18171 0.00000 0.17855
|
|
32 14D 0 1.19138 0.00000 1.24901 0.00000 1.09468
|
|
33 14D+1 0.00000 -1.15442 0.00000 -1.88066 0.00000
|
|
34 14D-1 0.00000 -1.32445 0.00000 -2.47729 0.00000
|
|
35 14D+2 1.72665 0.00000 5.66807 0.00000 -6.80489
|
|
36 14D-2 -0.16909 0.00000 1.25596 0.00000 1.59916
|
|
37 15D 0 0.84094 0.00000 -0.22061 0.00000 1.06854
|
|
38 15D+1 0.00000 0.17878 0.00000 -0.53213 0.00000
|
|
39 15D-1 0.00000 0.84836 0.00000 -0.45215 0.00000
|
|
40 15D+2 -0.29846 0.00000 2.27752 0.00000 -2.22179
|
|
41 15D-2 0.45588 0.00000 -0.55391 0.00000 0.30090
|
|
42 16F 0 0.00000 0.04519 0.00000 -0.12843 0.00000
|
|
43 16F+1 -0.04936 0.00000 -0.05824 0.00000 0.05364
|
|
44 16F-1 0.03037 0.00000 0.00911 0.00000 -0.12033
|
|
45 16F+2 0.00000 -0.12097 0.00000 -0.06519 0.00000
|
|
46 16F-2 0.00000 0.03825 0.00000 0.11223 0.00000
|
|
47 16F+3 -0.03735 0.00000 0.05224 0.00000 0.03826
|
|
48 16F-3 -0.03705 0.00000 0.10385 0.00000 0.01917
|
|
49 17F 0 0.00000 -0.60452 0.00000 1.56781 0.00000
|
|
50 17F+1 1.27580 0.00000 0.59681 0.00000 -1.09102
|
|
51 17F-1 0.13542 0.00000 -0.00049 0.00000 1.22625
|
|
52 17F+2 0.00000 1.38026 0.00000 0.83305 0.00000
|
|
53 17F-2 0.00000 -0.49520 0.00000 -1.39508 0.00000
|
|
54 17F+3 0.33928 0.00000 -0.75433 0.00000 -0.07496
|
|
55 17F-3 0.75174 0.00000 -1.02074 0.00000 -0.79543
|
|
56 18F 0 0.00000 -0.80322 0.00000 0.62698 0.00000
|
|
57 18F+1 1.23351 0.00000 0.20830 0.00000 -0.85666
|
|
58 18F-1 0.27776 0.00000 -0.29842 0.00000 0.64300
|
|
59 18F+2 0.00000 0.97705 0.00000 -0.12017 0.00000
|
|
60 18F-2 0.00000 -0.28645 0.00000 -1.52266 0.00000
|
|
61 18F+3 -0.04071 0.00000 -0.23561 0.00000 0.08503
|
|
62 18F-3 1.03473 0.00000 -0.29461 0.00000 -1.33701
|
|
63 19G 0 -0.02165 0.00000 0.00463 0.00000 -0.00811
|
|
64 19G+1 0.00000 0.01746 0.00000 0.04321 0.00000
|
|
65 19G-1 0.00000 0.00132 0.00000 -0.02968 0.00000
|
|
66 19G+2 0.03328 0.00000 0.01191 0.00000 0.04765
|
|
67 19G-2 0.09515 0.00000 0.01397 0.00000 -0.00487
|
|
68 19G+3 0.00000 -0.04778 0.00000 0.02686 0.00000
|
|
69 19G-3 0.00000 -0.00419 0.00000 -0.03374 0.00000
|
|
70 19G+4 0.00238 0.00000 -0.01493 0.00000 -0.03922
|
|
71 19G-4 0.00140 0.00000 0.05134 0.00000 0.06159
|
|
72 20G 0 -0.01773 0.00000 -0.05213 0.00000 0.42854
|
|
73 20G+1 0.00000 0.38433 0.00000 0.65109 0.00000
|
|
74 20G-1 0.00000 -0.45404 0.00000 0.81202 0.00000
|
|
75 20G+2 0.32526 0.00000 -0.52367 0.00000 -0.89192
|
|
76 20G-2 -0.20597 0.00000 -0.47691 0.00000 -0.59552
|
|
77 20G+3 0.00000 0.78084 0.00000 0.37587 0.00000
|
|
78 20G-3 0.00000 0.73042 0.00000 0.20608 0.00000
|
|
79 20G+4 -0.29982 0.00000 1.11312 0.00000 1.00864
|
|
80 20G-4 -0.15048 0.00000 -0.45423 0.00000 -0.26576
|
|
81 21H 0 0.00000 0.04685 0.00000 0.08398 0.00000
|
|
82 21H+1 -0.03778 0.00000 0.01286 0.00000 0.00160
|
|
83 21H-1 0.00484 0.00000 0.00896 0.00000 0.01273
|
|
84 21H+2 0.00000 0.02706 0.00000 0.01628 0.00000
|
|
85 21H-2 0.00000 -0.00915 0.00000 0.00898 0.00000
|
|
86 21H+3 0.06108 0.00000 0.06067 0.00000 -0.00881
|
|
87 21H-3 0.02774 0.00000 0.02557 0.00000 -0.09177
|
|
88 21H+4 0.00000 0.02268 0.00000 0.05566 0.00000
|
|
89 21H-4 0.00000 0.01894 0.00000 0.02419 0.00000
|
|
90 21H+5 0.01179 0.00000 -0.12727 0.00000 -0.03182
|
|
91 21H-5 0.05410 0.00000 0.08749 0.00000 -0.04755
|
|
92 2 O 1S 0.01674 0.00000 0.05196 0.00000 -0.01495
|
|
93 2S 0.02047 0.00000 0.00302 0.00000 0.00542
|
|
94 3S 0.28769 0.00000 0.60612 0.00000 -0.16298
|
|
95 4S -0.68755 0.00000 -3.45687 0.00000 1.97199
|
|
96 5S -6.03213 0.00000 2.67856 0.00000 -7.96140
|
|
97 6S -4.62123 0.00000 9.16935 0.00000 -10.12724
|
|
98 7PX 0.01214 0.00000 0.04712 0.00000 -0.01959
|
|
99 7PY -0.01501 0.00000 0.07991 0.00000 -0.07503
|
|
100 7PZ 0.00000 0.04683 0.00000 -0.01852 0.00000
|
|
101 8PX 0.25289 0.00000 0.15239 0.00000 0.10036
|
|
102 8PY -0.18691 0.00000 0.15648 0.00000 -0.24843
|
|
103 8PZ 0.00000 0.13640 0.00000 -0.08245 0.00000
|
|
104 9PX -2.76412 0.00000 -1.00157 0.00000 -1.94042
|
|
105 9PY 1.30982 0.00000 0.26674 0.00000 0.88778
|
|
106 9PZ 0.00000 0.36793 0.00000 0.17476 0.00000
|
|
107 10PX -0.89992 0.00000 2.70997 0.00000 -0.69331
|
|
108 10PY -2.85538 0.00000 8.80960 0.00000 -8.16871
|
|
109 10PZ 0.00000 1.63010 0.00000 -1.37486 0.00000
|
|
110 11PX -0.41346 0.00000 -0.05673 0.00000 -0.28874
|
|
111 11PY -0.28938 0.00000 1.62473 0.00000 -1.23867
|
|
112 11PZ 0.00000 0.04985 0.00000 -0.24127 0.00000
|
|
113 12D 0 0.00611 0.00000 -0.02427 0.00000 0.01514
|
|
114 12D+1 0.00000 0.02592 0.00000 -0.00356 0.00000
|
|
115 12D-1 0.00000 0.00129 0.00000 -0.01501 0.00000
|
|
116 12D+2 0.01671 0.00000 0.00238 0.00000 0.02608
|
|
117 12D-2 -0.00969 0.00000 0.02683 0.00000 0.00227
|
|
118 13D 0 -0.00829 0.00000 0.11415 0.00000 -0.07613
|
|
119 13D+1 0.00000 -0.11221 0.00000 0.00070 0.00000
|
|
120 13D-1 0.00000 -0.00272 0.00000 0.06937 0.00000
|
|
121 13D+2 -0.04521 0.00000 -0.01729 0.00000 -0.08424
|
|
122 13D-2 0.03010 0.00000 -0.12001 0.00000 0.00579
|
|
123 14D 0 0.75893 0.00000 -0.43768 0.00000 0.91587
|
|
124 14D+1 0.00000 1.22856 0.00000 -0.10559 0.00000
|
|
125 14D-1 0.00000 -0.17153 0.00000 -0.44954 0.00000
|
|
126 14D+2 -0.65833 0.00000 0.27459 0.00000 -0.05437
|
|
127 14D-2 0.24662 0.00000 1.36467 0.00000 0.28231
|
|
128 15D 0 0.17753 0.00000 -1.67559 0.00000 1.41849
|
|
129 15D+1 0.00000 0.98200 0.00000 -0.33358 0.00000
|
|
130 15D-1 0.00000 0.22470 0.00000 -0.83760 0.00000
|
|
131 15D+2 1.08525 0.00000 -1.36967 0.00000 3.06285
|
|
132 15D-2 -1.07490 0.00000 1.54517 0.00000 0.03973
|
|
133 16F 0 0.00000 0.01256 0.00000 -0.00939 0.00000
|
|
134 16F+1 -0.00805 0.00000 0.00832 0.00000 -0.00721
|
|
135 16F-1 0.00266 0.00000 0.01063 0.00000 -0.01076
|
|
136 16F+2 0.00000 -0.01677 0.00000 -0.01024 0.00000
|
|
137 16F-2 0.00000 0.01846 0.00000 -0.00487 0.00000
|
|
138 16F+3 0.01347 0.00000 -0.02699 0.00000 0.02184
|
|
139 16F-3 0.00172 0.00000 0.00116 0.00000 0.00133
|
|
140 17F 0 0.00000 -0.08729 0.00000 0.05081 0.00000
|
|
141 17F+1 0.09938 0.00000 -0.02847 0.00000 0.08593
|
|
142 17F-1 -0.04191 0.00000 -0.05203 0.00000 0.04288
|
|
143 17F+2 0.00000 0.10828 0.00000 0.05802 0.00000
|
|
144 17F-2 0.00000 -0.12600 0.00000 0.02219 0.00000
|
|
145 17F+3 -0.10055 0.00000 0.16661 0.00000 -0.13289
|
|
146 17F-3 0.05476 0.00000 0.04099 0.00000 0.01793
|
|
147 18F 0 0.00000 -0.22723 0.00000 0.19770 0.00000
|
|
148 18F+1 0.04365 0.00000 -0.35790 0.00000 0.02872
|
|
149 18F-1 0.17984 0.00000 -0.64490 0.00000 0.46039
|
|
150 18F+2 0.00000 0.78806 0.00000 -0.12009 0.00000
|
|
151 18F-2 0.00000 0.70378 0.00000 -0.38980 0.00000
|
|
152 18F+3 0.51927 0.00000 0.00518 0.00000 -0.06614
|
|
153 18F-3 -0.46602 0.00000 -0.03895 0.00000 1.07222
|
|
154 19G 0 0.00020 0.00000 -0.01004 0.00000 0.00032
|
|
155 19G+1 0.00000 0.00080 0.00000 0.00215 0.00000
|
|
156 19G-1 0.00000 -0.00446 0.00000 -0.00717 0.00000
|
|
157 19G+2 0.00531 0.00000 -0.00414 0.00000 0.00735
|
|
158 19G-2 -0.01083 0.00000 0.00162 0.00000 -0.00184
|
|
159 19G+3 0.00000 -0.00844 0.00000 0.00796 0.00000
|
|
160 19G-3 0.00000 -0.00247 0.00000 -0.00926 0.00000
|
|
161 19G+4 -0.00161 0.00000 -0.00811 0.00000 0.01227
|
|
162 19G-4 0.01926 0.00000 0.00643 0.00000 0.00882
|
|
163 20G 0 -0.04444 0.00000 0.10181 0.00000 -0.05027
|
|
164 20G+1 0.00000 -0.10956 0.00000 -0.00520 0.00000
|
|
165 20G-1 0.00000 0.05923 0.00000 0.08593 0.00000
|
|
166 20G+2 0.01928 0.00000 0.00527 0.00000 -0.02780
|
|
167 20G-2 0.06347 0.00000 -0.06131 0.00000 0.00959
|
|
168 20G+3 0.00000 0.15258 0.00000 -0.08916 0.00000
|
|
169 20G-3 0.00000 -0.03118 0.00000 0.08921 0.00000
|
|
170 20G+4 -0.04295 0.00000 0.26225 0.00000 -0.21723
|
|
171 20G-4 -0.12059 0.00000 -0.02671 0.00000 -0.05846
|
|
172 21H 0 0.00000 0.00757 0.00000 -0.00486 0.00000
|
|
173 21H+1 -0.00820 0.00000 0.00671 0.00000 -0.00050
|
|
174 21H-1 -0.00275 0.00000 0.01137 0.00000 -0.00258
|
|
175 21H+2 0.00000 -0.01463 0.00000 0.00292 0.00000
|
|
176 21H-2 0.00000 -0.00636 0.00000 0.00134 0.00000
|
|
177 21H+3 0.00393 0.00000 -0.00586 0.00000 0.00834
|
|
178 21H-3 -0.00109 0.00000 0.00366 0.00000 -0.00386
|
|
179 21H+4 0.00000 0.02003 0.00000 -0.01346 0.00000
|
|
180 21H-4 0.00000 -0.00871 0.00000 -0.00134 0.00000
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181 21H+5 -0.00803 0.00000 0.03393 0.00000 -0.01230
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184 2S -0.31029 0.00000 -0.50966 0.00000 -1.77355
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185 3S -1.82346 0.00000 -4.44625 0.00000 11.23426
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186 4S 1.84469 0.00000 -5.01967 0.00000 7.60262
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187 5S 0.04286 0.00000 0.95247 0.00000 0.05431
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188 6PX 0.01473 0.00000 0.01224 0.00000 0.03587
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189 6PY -0.01847 0.00000 0.00665 0.00000 -0.00024
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190 6PZ 0.00000 -0.00578 0.00000 -0.01913 0.00000
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191 7PX -0.06946 0.00000 -0.10704 0.00000 -0.44946
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192 7PY 0.13374 0.00000 -0.13196 0.00000 0.01002
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193 7PZ 0.00000 0.08102 0.00000 0.14360 0.00000
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194 8PX -0.81363 0.00000 -0.99962 0.00000 5.83088
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195 8PY -0.64456 0.00000 3.12844 0.00000 -0.01784
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196 8PZ 0.00000 -1.94960 0.00000 -1.24025 0.00000
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197 9PX 0.57669 0.00000 -0.89838 0.00000 4.50740
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198 9PY -0.46138 0.00000 1.78633 0.00000 -0.48524
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199 9PZ 0.00000 -1.67641 0.00000 -1.26812 0.00000
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200 10D 0 -0.02759 0.00000 -0.00407 0.00000 0.00134
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201 10D+1 0.00000 -0.00558 0.00000 -0.00812 0.00000
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202 10D-1 0.00000 -0.00043 0.00000 -0.02986 0.00000
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203 10D+2 0.01178 0.00000 -0.00315 0.00000 -0.05406
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204 10D-2 -0.01059 0.00000 -0.03044 0.00000 0.01971
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205 11D 0 0.23950 0.00000 0.13849 0.00000 -0.02857
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206 11D+1 0.00000 0.02622 0.00000 0.07406 0.00000
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207 11D-1 0.00000 0.00957 0.00000 0.17971 0.00000
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208 11D+2 -0.18743 0.00000 -0.07292 0.00000 0.41093
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209 11D-2 0.14323 0.00000 0.39957 0.00000 -0.07458
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210 12D 0 -0.19411 0.00000 -0.27926 0.00000 -1.18848
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211 12D+1 0.00000 -2.03543 0.00000 -1.27571 0.00000
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212 12D-1 0.00000 0.22289 0.00000 0.05850 0.00000
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213 12D+2 -0.24532 0.00000 1.12666 0.00000 2.37116
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214 12D-2 -0.71823 0.00000 2.10427 0.00000 -0.13772
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215 13F 0 0.00000 -0.02954 0.00000 -0.01364 0.00000
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216 13F+1 -0.00432 0.00000 0.03672 0.00000 -0.00340
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217 13F-1 0.04622 0.00000 0.00062 0.00000 0.00765
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218 13F+2 0.00000 0.01981 0.00000 0.02543 0.00000
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219 13F-2 0.00000 0.00304 0.00000 0.00677 0.00000
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220 13F+3 0.02610 0.00000 -0.00034 0.00000 -0.00758
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221 13F-3 0.01169 0.00000 -0.01333 0.00000 0.01541
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222 14F 0 0.00000 0.55867 0.00000 0.30098 0.00000
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223 14F+1 0.14395 0.00000 -0.41886 0.00000 -0.30008
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224 14F-1 -0.36123 0.00000 -0.19860 0.00000 -0.07394
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225 14F+2 0.00000 -0.57322 0.00000 -0.37797 0.00000
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226 14F-2 0.00000 0.08988 0.00000 0.04865 0.00000
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227 14F+3 -0.46135 0.00000 0.51914 0.00000 0.67999
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228 14F-3 -0.12735 0.00000 0.78882 0.00000 -0.23318
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229 15G 0 -0.00034 0.00000 0.01024 0.00000 0.01188
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230 15G+1 0.00000 0.03275 0.00000 0.01403 0.00000
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231 15G-1 0.00000 -0.00629 0.00000 -0.00570 0.00000
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232 15G+2 0.00301 0.00000 -0.01903 0.00000 -0.01689
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233 15G-2 0.00097 0.00000 -0.01394 0.00000 -0.00052
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234 15G+3 0.00000 -0.02617 0.00000 -0.00997 0.00000
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235 15G-3 0.00000 0.01375 0.00000 0.00985 0.00000
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236 15G+4 -0.01672 0.00000 0.04357 0.00000 0.02871
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237 15G-4 -0.00496 0.00000 0.02601 0.00000 -0.01220
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238 4 H 1S 0.03313 0.00000 0.02151 0.00000 0.00430
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239 2S -1.44031 0.00000 -0.59560 0.00000 -0.31759
|
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240 3S 3.50650 0.00000 0.38407 0.00000 2.54366
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241 4S 3.07251 0.00000 0.29362 0.00000 2.71870
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242 5S -0.08980 0.00000 0.18149 0.00000 -0.18656
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243 6PX -0.00545 0.00000 -0.00776 0.00000 0.00027
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244 6PY -0.00679 0.00000 0.00859 0.00000 -0.02060
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245 6PZ 0.00000 0.00590 0.00000 0.00648 0.00000
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246 7PX 0.24573 0.00000 0.14023 0.00000 0.10417
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247 7PY -0.04454 0.00000 0.02033 0.00000 0.08509
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248 7PZ 0.00000 0.02903 0.00000 -0.05037 0.00000
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249 8PX -2.94144 0.00000 -1.17499 0.00000 -2.36699
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250 8PY 1.32563 0.00000 -1.59963 0.00000 0.78261
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251 8PZ 0.00000 -1.36511 0.00000 0.17055 0.00000
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252 9PX -2.26619 0.00000 -1.17408 0.00000 -1.40552
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253 9PY 1.18585 0.00000 -0.77653 0.00000 0.90341
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254 9PZ 0.00000 -0.86820 0.00000 0.15498 0.00000
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255 10D 0 0.01937 0.00000 0.01090 0.00000 -0.01859
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256 10D+1 0.00000 -0.02353 0.00000 0.01442 0.00000
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257 10D-1 0.00000 -0.02162 0.00000 0.00044 0.00000
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258 10D+2 -0.01625 0.00000 -0.03079 0.00000 -0.02196
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259 10D-2 0.05267 0.00000 -0.04187 0.00000 0.06686
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260 11D 0 -0.15289 0.00000 0.01011 0.00000 0.03320
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261 11D+1 0.00000 0.21388 0.00000 -0.11761 0.00000
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262 11D-1 0.00000 0.12834 0.00000 -0.00650 0.00000
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263 11D+2 0.14473 0.00000 0.12707 0.00000 0.21693
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264 11D-2 -0.41157 0.00000 0.43115 0.00000 -0.56999
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265 12D 0 -1.51598 0.00000 -0.40085 0.00000 -0.92108
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266 12D+1 0.00000 1.07424 0.00000 0.10003 0.00000
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267 12D-1 0.00000 -1.22813 0.00000 0.38625 0.00000
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268 12D+2 1.16308 0.00000 1.71653 0.00000 0.70026
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269 12D-2 -1.17084 0.00000 0.64762 0.00000 -0.86400
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|
270 13F 0 0.00000 -0.00030 0.00000 -0.02192 0.00000
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271 13F+1 -0.04750 0.00000 -0.01595 0.00000 -0.00846
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|
272 13F-1 0.01966 0.00000 0.01885 0.00000 0.00327
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|
273 13F+2 0.00000 -0.02240 0.00000 0.02408 0.00000
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|
274 13F-2 0.00000 -0.08560 0.00000 0.03479 0.00000
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|
275 13F+3 -0.01559 0.00000 0.04095 0.00000 -0.01622
|
|
276 13F-3 0.02666 0.00000 -0.01379 0.00000 -0.00139
|
|
277 14F 0 0.00000 0.41360 0.00000 0.15868 0.00000
|
|
278 14F+1 0.93944 0.00000 0.28008 0.00000 0.35348
|
|
279 14F-1 -0.39982 0.00000 0.04640 0.00000 -0.18220
|
|
280 14F+2 0.00000 -0.11401 0.00000 -0.21614 0.00000
|
|
281 14F-2 0.00000 1.19608 0.00000 -0.40564 0.00000
|
|
282 14F+3 -0.03648 0.00000 -1.10366 0.00000 0.15230
|
|
283 14F-3 0.33046 0.00000 -0.19602 0.00000 0.60164
|
|
284 15G 0 0.02643 0.00000 0.00667 0.00000 0.01203
|
|
285 15G+1 0.00000 -0.03782 0.00000 -0.00117 0.00000
|
|
286 15G-1 0.00000 0.02510 0.00000 -0.00589 0.00000
|
|
287 15G+2 -0.02456 0.00000 -0.02459 0.00000 -0.00623
|
|
288 15G-2 0.02394 0.00000 -0.01176 0.00000 0.01515
|
|
289 15G+3 0.00000 0.00125 0.00000 0.00842 0.00000
|
|
290 15G-3 0.00000 -0.03869 0.00000 0.00789 0.00000
|
|
291 15G+4 -0.00300 0.00000 0.05835 0.00000 -0.01789
|
|
292 15G-4 -0.02394 0.00000 -0.00271 0.00000 -0.02136
|
|
293 5 H 1S -0.03270 -0.00708 -0.00140 -0.00348 -0.01554
|
|
294 2S 1.22857 0.27863 0.04448 -0.01551 0.53489
|
|
295 3S -7.69038 0.09486 0.92053 0.56588 1.54974
|
|
296 4S -5.65362 -1.66022 1.29953 -1.83335 0.53082
|
|
297 5S -0.22999 0.00820 -0.24874 0.07426 0.00223
|
|
298 6PX 0.01264 -0.00045 0.00943 0.01729 0.02104
|
|
299 6PY 0.01645 0.01154 -0.00434 0.01211 -0.00371
|
|
300 6PZ 0.02270 0.00744 -0.00614 0.00876 -0.00460
|
|
301 7PX -0.12569 0.03676 -0.07887 -0.12859 -0.18590
|
|
302 7PY -0.18224 -0.11229 0.01342 -0.12968 0.05442
|
|
303 7PZ -0.26426 -0.05234 0.03491 -0.00916 0.05022
|
|
304 8PX 0.79334 -1.24449 0.26982 1.08206 1.53869
|
|
305 8PY 2.33833 0.91689 0.26036 1.79757 -0.99212
|
|
306 8PZ 3.11069 -0.05883 -0.53831 -1.49111 -1.42506
|
|
307 9PX 0.62414 -0.23560 0.02223 1.19093 1.40950
|
|
308 9PY 2.07530 0.39922 0.20101 1.60350 -0.04555
|
|
309 9PZ 2.61432 0.41974 -0.49880 -0.65252 -0.77687
|
|
310 10D 0 0.01973 -0.00157 0.01232 -0.00360 -0.00812
|
|
311 10D+1 0.01353 -0.01180 -0.01543 -0.00463 -0.00848
|
|
312 10D-1 0.02823 -0.02555 0.00566 -0.01457 -0.01312
|
|
313 10D+2 0.00799 -0.00939 0.00073 -0.01730 -0.00251
|
|
314 10D-2 -0.00123 0.04305 0.03082 -0.02113 0.00014
|
|
315 11D 0 -0.12925 0.03121 -0.07701 0.06926 0.11452
|
|
316 11D+1 -0.09732 0.13999 0.08807 0.07030 0.09132
|
|
317 11D-1 -0.19335 0.14396 -0.03121 0.09964 0.17885
|
|
318 11D+2 -0.04103 0.10718 -0.00359 0.12544 -0.02015
|
|
319 11D-2 -0.01019 -0.24564 -0.19298 0.13184 0.02430
|
|
320 12D 0 -0.86778 -0.09348 0.59747 2.10184 0.98331
|
|
321 12D+1 -0.18106 0.72353 -0.11622 -0.14746 -1.14874
|
|
322 12D-1 -1.56278 -0.79357 -0.37816 -1.14206 0.58192
|
|
323 12D+2 0.71731 0.54564 -0.04343 0.04204 -0.76107
|
|
324 12D-2 -0.45332 0.17830 0.01225 -1.26728 -0.20697
|
|
325 13F 0 -0.01480 -0.00302 0.01791 0.02778 0.02585
|
|
326 13F+1 0.01474 0.02227 0.00287 0.03546 -0.01341
|
|
327 13F-1 -0.00544 0.00039 -0.01753 0.00172 -0.00758
|
|
328 13F+2 0.00800 -0.01391 -0.00399 -0.00538 0.01446
|
|
329 13F-2 -0.01168 0.00569 0.00767 -0.01132 0.02048
|
|
330 13F+3 -0.02645 0.01245 0.00283 -0.01815 0.01132
|
|
331 13F-3 0.02576 0.00246 0.02074 -0.00915 -0.01760
|
|
332 14F 0 0.20808 0.06428 -0.31796 -0.81259 -0.47861
|
|
333 14F+1 0.00102 -0.41382 -0.04549 -0.61648 0.19262
|
|
334 14F-1 0.44254 0.19412 0.17965 0.00580 -0.20431
|
|
335 14F+2 -0.28986 -0.19072 0.02122 -0.08735 0.23292
|
|
336 14F-2 0.32801 -0.03032 -0.00958 0.41611 -0.19869
|
|
337 14F+3 0.12147 -0.21785 -0.04098 0.01508 0.03003
|
|
338 14F-3 -0.23139 -0.09527 -0.19071 0.21076 0.26274
|
|
339 15G 0 0.00332 -0.00181 0.01359 0.03149 0.01543
|
|
340 15G+1 -0.00592 0.00824 0.00600 0.03945 0.00407
|
|
341 15G-1 -0.02100 -0.01394 0.00254 0.01508 0.01066
|
|
342 15G+2 0.02006 0.02337 0.00278 0.01721 -0.02258
|
|
343 15G-2 -0.01934 -0.00145 0.00040 -0.01509 0.00249
|
|
344 15G+3 0.01398 0.00897 0.00016 0.01901 -0.01487
|
|
345 15G-3 0.00483 0.00857 0.00366 -0.01752 -0.00868
|
|
346 15G+4 0.00127 0.00072 -0.00140 0.01094 -0.00214
|
|
347 15G-4 0.00221 0.00368 0.00015 -0.00181 -0.00660
|
|
348 6 H 1S -0.03270 0.00708 -0.00140 0.00348 -0.01554
|
|
349 2S 1.22857 -0.27863 0.04448 0.01551 0.53489
|
|
350 3S -7.69038 -0.09486 0.92053 -0.56588 1.54974
|
|
351 4S -5.65362 1.66022 1.29953 1.83335 0.53082
|
|
352 5S -0.22999 -0.00820 -0.24874 -0.07426 0.00223
|
|
353 6PX 0.01264 0.00045 0.00943 -0.01729 0.02104
|
|
354 6PY 0.01645 -0.01154 -0.00434 -0.01211 -0.00371
|
|
355 6PZ -0.02270 0.00744 0.00614 0.00876 0.00460
|
|
356 7PX -0.12569 -0.03676 -0.07887 0.12859 -0.18590
|
|
357 7PY -0.18224 0.11229 0.01342 0.12968 0.05442
|
|
358 7PZ 0.26426 -0.05234 -0.03491 -0.00916 -0.05022
|
|
359 8PX 0.79334 1.24449 0.26982 -1.08206 1.53869
|
|
360 8PY 2.33833 -0.91689 0.26036 -1.79757 -0.99212
|
|
361 8PZ -3.11069 -0.05883 0.53831 -1.49111 1.42506
|
|
362 9PX 0.62414 0.23560 0.02223 -1.19093 1.40950
|
|
363 9PY 2.07530 -0.39922 0.20101 -1.60350 -0.04555
|
|
364 9PZ -2.61432 0.41974 0.49880 -0.65252 0.77687
|
|
365 10D 0 0.01973 0.00157 0.01232 0.00360 -0.00812
|
|
366 10D+1 -0.01353 -0.01180 0.01543 -0.00463 0.00848
|
|
367 10D-1 -0.02823 -0.02555 -0.00566 -0.01457 0.01312
|
|
368 10D+2 0.00799 0.00939 0.00073 0.01730 -0.00251
|
|
369 10D-2 -0.00123 -0.04305 0.03082 0.02113 0.00014
|
|
370 11D 0 -0.12925 -0.03121 -0.07701 -0.06926 0.11452
|
|
371 11D+1 0.09732 0.13999 -0.08807 0.07030 -0.09132
|
|
372 11D-1 0.19335 0.14396 0.03121 0.09964 -0.17885
|
|
373 11D+2 -0.04103 -0.10718 -0.00359 -0.12544 -0.02015
|
|
374 11D-2 -0.01019 0.24564 -0.19298 -0.13184 0.02430
|
|
375 12D 0 -0.86778 0.09348 0.59747 -2.10184 0.98331
|
|
376 12D+1 0.18106 0.72353 0.11622 -0.14746 1.14874
|
|
377 12D-1 1.56278 -0.79357 0.37816 -1.14206 -0.58192
|
|
378 12D+2 0.71731 -0.54564 -0.04343 -0.04204 -0.76107
|
|
379 12D-2 -0.45332 -0.17830 0.01225 1.26728 -0.20697
|
|
380 13F 0 0.01480 -0.00302 -0.01791 0.02778 -0.02585
|
|
381 13F+1 0.01474 -0.02227 0.00287 -0.03546 -0.01341
|
|
382 13F-1 -0.00544 -0.00039 -0.01753 -0.00172 -0.00758
|
|
383 13F+2 -0.00800 -0.01391 0.00399 -0.00538 -0.01446
|
|
384 13F-2 0.01168 0.00569 -0.00767 -0.01132 -0.02048
|
|
385 13F+3 -0.02645 -0.01245 0.00283 0.01815 0.01132
|
|
386 13F-3 0.02576 -0.00246 0.02074 0.00915 -0.01760
|
|
387 14F 0 -0.20808 0.06428 0.31796 -0.81259 0.47861
|
|
388 14F+1 0.00102 0.41382 -0.04549 0.61648 0.19262
|
|
389 14F-1 0.44254 -0.19412 0.17965 -0.00580 -0.20431
|
|
390 14F+2 0.28986 -0.19072 -0.02122 -0.08735 -0.23292
|
|
391 14F-2 -0.32801 -0.03032 0.00958 0.41611 0.19869
|
|
392 14F+3 0.12147 0.21785 -0.04098 -0.01508 0.03003
|
|
393 14F-3 -0.23139 0.09527 -0.19071 -0.21076 0.26274
|
|
394 15G 0 0.00332 0.00181 0.01359 -0.03149 0.01543
|
|
395 15G+1 0.00592 0.00824 -0.00600 0.03945 -0.00407
|
|
396 15G-1 0.02100 -0.01394 -0.00254 0.01508 -0.01066
|
|
397 15G+2 0.02006 -0.02337 0.00278 -0.01721 -0.02258
|
|
398 15G-2 -0.01934 0.00145 0.00040 0.01509 0.00249
|
|
399 15G+3 -0.01398 0.00897 -0.00016 0.01901 0.01487
|
|
400 15G-3 -0.00483 0.00857 -0.00366 -0.01752 0.00868
|
|
401 15G+4 0.00127 -0.00072 -0.00140 -0.01094 -0.00214
|
|
402 15G-4 0.00221 -0.00368 0.00015 0.00181 -0.00660
|
|
146 147 148 149 150
|
|
V V V V V
|
|
Eigenvalues -- 4.76377 4.80569 4.80694 4.84445 4.87676
|
|
1 1 C 1S -0.03097 0.01269 0.00000 0.00000 0.00000
|
|
2 2S -0.08505 -0.07645 0.00000 0.00000 0.00000
|
|
3 3S -1.04260 -0.32192 0.00000 0.00000 0.00000
|
|
4 4S 1.38737 1.15919 0.00000 0.00000 0.00000
|
|
5 5S 17.58249 2.68705 0.00000 0.00000 0.00000
|
|
6 6S 1.33398 1.21030 0.00000 0.00000 0.00000
|
|
7 7PX -0.01482 -0.00225 0.00000 0.00000 0.00000
|
|
8 7PY 0.00918 0.11672 0.00000 0.00000 0.00000
|
|
9 7PZ 0.00000 0.00000 0.03838 0.00377 -0.02632
|
|
10 8PX 0.46826 0.30317 0.00000 0.00000 0.00000
|
|
11 8PY -1.09839 -0.13579 0.00000 0.00000 0.00000
|
|
12 8PZ 0.00000 0.00000 0.31894 0.12198 -0.50115
|
|
13 9PX -4.52280 -2.69178 0.00000 0.00000 0.00000
|
|
14 9PY 8.99409 7.45064 0.00000 0.00000 0.00000
|
|
15 9PZ 0.00000 0.00000 7.07316 -0.24566 -0.25241
|
|
16 10PX -2.24403 -1.21898 0.00000 0.00000 0.00000
|
|
17 10PY 4.44788 3.87187 0.00000 0.00000 0.00000
|
|
18 10PZ 0.00000 0.00000 4.25575 0.65281 0.65209
|
|
19 11PX -0.57995 -0.09559 0.00000 0.00000 0.00000
|
|
20 11PY 0.46924 0.88518 0.00000 0.00000 0.00000
|
|
21 11PZ 0.00000 0.00000 0.77366 -0.00624 -0.49190
|
|
22 12D 0 0.00039 -0.03373 0.00000 0.00000 0.00000
|
|
23 12D+1 0.00000 0.00000 -0.06097 -0.01502 0.01735
|
|
24 12D-1 0.00000 0.00000 -0.05323 0.00159 0.00528
|
|
25 12D+2 -0.00235 -0.03891 0.00000 0.00000 0.00000
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288 15G-2 0.01750 -0.00592 0.00000 0.00000 0.00000
|
|
289 15G+3 0.00000 0.00000 -0.01715 -0.00023 0.01600
|
|
290 15G-3 0.00000 0.00000 0.01808 -0.01615 -0.00777
|
|
291 15G+4 -0.02148 0.00595 0.00000 0.00000 0.00000
|
|
292 15G-4 -0.02715 0.01256 0.00000 0.00000 0.00000
|
|
293 5 H 1S 0.00382 -0.02957 -0.05099 -0.00745 0.01003
|
|
294 2S 0.07063 0.81201 1.66590 0.31291 -0.28705
|
|
295 3S -5.88570 -1.37908 -6.03813 -0.97000 -0.40562
|
|
296 4S -1.86481 -1.87160 -6.05859 -1.06076 0.16870
|
|
297 5S 0.04571 -0.26874 -0.35308 0.06154 0.38657
|
|
298 6PX 0.01104 0.01153 0.00608 0.01455 -0.02517
|
|
299 6PY -0.00813 0.03010 -0.00333 -0.00052 -0.00047
|
|
300 6PZ -0.00124 0.01002 0.05252 -0.00192 0.00574
|
|
301 7PX -0.13721 -0.11168 -0.07496 -0.12583 0.19736
|
|
302 7PY 0.08797 -0.21017 -0.00206 0.00039 0.00744
|
|
303 7PZ -0.06203 -0.10289 -0.47769 0.00801 -0.03468
|
|
304 8PX 2.66437 0.78513 0.83998 1.36107 -0.81627
|
|
305 8PY -0.96494 -0.09087 0.47859 -0.21001 -0.31915
|
|
306 8PZ 2.12977 0.43948 3.52425 -0.26722 0.44776
|
|
307 9PX 1.91418 1.01269 1.60483 1.56501 -0.14024
|
|
308 9PY -1.01966 -0.33114 1.26448 -0.52436 -1.05516
|
|
309 9PZ 0.62497 1.03848 3.24988 -0.10511 -0.11468
|
|
310 10D 0 0.03102 0.00478 -0.00717 0.03503 -0.02418
|
|
311 10D+1 0.01639 0.01531 0.02310 -0.02301 0.00966
|
|
312 10D-1 0.01331 -0.01606 -0.00209 -0.01364 0.02492
|
|
313 10D+2 0.02251 -0.00486 -0.00577 -0.03641 -0.00743
|
|
314 10D-2 0.00939 -0.01741 -0.00853 0.02174 -0.02159
|
|
315 11D 0 -0.30419 0.06275 0.04327 -0.23234 0.08604
|
|
316 11D+1 -0.20109 -0.00231 -0.04830 0.18032 -0.06167
|
|
317 11D-1 -0.10365 0.16233 0.10097 0.06411 -0.22445
|
|
318 11D+2 -0.17181 0.04040 0.04452 0.25465 0.08926
|
|
319 11D-2 -0.06367 0.12521 0.12578 -0.10927 0.10026
|
|
320 12D 0 -0.22034 -0.46517 -1.51622 0.89495 -0.31421
|
|
321 12D+1 -1.73358 -0.90271 -0.97044 -1.04745 0.36255
|
|
322 12D-1 1.10373 0.17090 -1.02187 0.45737 0.57673
|
|
323 12D+2 -1.33445 -0.57400 -0.25259 -1.15162 -0.42465
|
|
324 12D-2 0.12863 -0.04457 -0.47228 -0.43703 0.35139
|
|
325 13F 0 0.01128 -0.00969 0.02739 0.00523 0.02540
|
|
326 13F+1 -0.01620 -0.02206 0.01327 0.00460 0.00435
|
|
327 13F-1 0.00538 0.00484 -0.00806 0.01831 0.02157
|
|
328 13F+2 -0.01581 -0.01781 0.00130 -0.02239 -0.03634
|
|
329 13F-2 -0.02855 0.01646 -0.01361 -0.00959 0.00320
|
|
330 13F+3 -0.03276 -0.01599 -0.00008 0.00768 -0.01734
|
|
331 13F-3 0.00899 -0.00066 -0.03618 -0.02287 -0.02003
|
|
332 14F 0 0.03537 0.09016 0.07794 -0.21632 -0.06950
|
|
333 14F+1 0.62178 0.34701 0.06781 0.00590 -0.08632
|
|
334 14F-1 -0.17072 -0.09810 0.26098 -0.30394 -0.17543
|
|
335 14F+2 0.65998 0.31105 0.03512 0.43513 0.30283
|
|
336 14F-2 0.30189 -0.12489 0.22056 0.21002 -0.08751
|
|
337 14F+3 0.43060 0.18831 0.00070 -0.02824 0.18249
|
|
338 14F-3 0.05822 0.02681 0.37121 0.35441 0.19129
|
|
339 15G 0 -0.00003 0.00139 -0.01138 0.01255 -0.01293
|
|
340 15G+1 -0.01996 -0.01725 -0.01055 0.00934 0.00108
|
|
341 15G-1 0.00692 -0.00127 -0.01587 0.01793 -0.00072
|
|
342 15G+2 -0.03719 -0.01653 0.00070 -0.02354 -0.00683
|
|
343 15G-2 -0.00503 -0.00528 -0.01566 -0.00466 0.00611
|
|
344 15G+3 -0.01444 -0.00951 0.00672 -0.00846 -0.00670
|
|
345 15G-3 -0.01900 -0.00423 -0.01526 -0.02286 -0.00251
|
|
346 15G+4 -0.00240 0.00095 0.00612 0.00496 -0.00010
|
|
347 15G-4 -0.00747 -0.00234 -0.00139 -0.00846 -0.00148
|
|
348 6 H 1S 0.00382 -0.02957 0.05099 0.00745 -0.01003
|
|
349 2S 0.07063 0.81201 -1.66590 -0.31291 0.28705
|
|
350 3S -5.88570 -1.37908 6.03813 0.97000 0.40562
|
|
351 4S -1.86481 -1.87160 6.05859 1.06076 -0.16870
|
|
352 5S 0.04571 -0.26874 0.35308 -0.06154 -0.38657
|
|
353 6PX 0.01104 0.01153 -0.00608 -0.01455 0.02517
|
|
354 6PY -0.00813 0.03010 0.00333 0.00052 0.00047
|
|
355 6PZ 0.00124 -0.01002 0.05252 -0.00192 0.00574
|
|
356 7PX -0.13721 -0.11168 0.07496 0.12583 -0.19736
|
|
357 7PY 0.08797 -0.21017 0.00206 -0.00039 -0.00744
|
|
358 7PZ 0.06203 0.10289 -0.47769 0.00801 -0.03468
|
|
359 8PX 2.66437 0.78513 -0.83998 -1.36107 0.81627
|
|
360 8PY -0.96494 -0.09087 -0.47859 0.21001 0.31915
|
|
361 8PZ -2.12977 -0.43948 3.52425 -0.26722 0.44776
|
|
362 9PX 1.91418 1.01269 -1.60483 -1.56501 0.14024
|
|
363 9PY -1.01966 -0.33114 -1.26448 0.52436 1.05516
|
|
364 9PZ -0.62497 -1.03848 3.24988 -0.10511 -0.11468
|
|
365 10D 0 0.03102 0.00478 0.00717 -0.03503 0.02418
|
|
366 10D+1 -0.01639 -0.01531 0.02310 -0.02301 0.00966
|
|
367 10D-1 -0.01331 0.01606 -0.00209 -0.01364 0.02492
|
|
368 10D+2 0.02251 -0.00486 0.00577 0.03641 0.00743
|
|
369 10D-2 0.00939 -0.01741 0.00853 -0.02174 0.02159
|
|
370 11D 0 -0.30419 0.06275 -0.04327 0.23234 -0.08604
|
|
371 11D+1 0.20109 0.00231 -0.04830 0.18032 -0.06167
|
|
372 11D-1 0.10365 -0.16233 0.10097 0.06411 -0.22445
|
|
373 11D+2 -0.17181 0.04040 -0.04452 -0.25465 -0.08926
|
|
374 11D-2 -0.06367 0.12521 -0.12578 0.10927 -0.10026
|
|
375 12D 0 -0.22034 -0.46517 1.51622 -0.89495 0.31421
|
|
376 12D+1 1.73358 0.90271 -0.97044 -1.04745 0.36255
|
|
377 12D-1 -1.10373 -0.17090 -1.02187 0.45737 0.57673
|
|
378 12D+2 -1.33445 -0.57400 0.25259 1.15162 0.42465
|
|
379 12D-2 0.12863 -0.04457 0.47228 0.43703 -0.35139
|
|
380 13F 0 -0.01128 0.00969 0.02739 0.00523 0.02540
|
|
381 13F+1 -0.01620 -0.02206 -0.01327 -0.00460 -0.00435
|
|
382 13F-1 0.00538 0.00484 0.00806 -0.01831 -0.02157
|
|
383 13F+2 0.01581 0.01781 0.00130 -0.02239 -0.03634
|
|
384 13F-2 0.02855 -0.01646 -0.01361 -0.00959 0.00320
|
|
385 13F+3 -0.03276 -0.01599 0.00008 -0.00768 0.01734
|
|
386 13F-3 0.00899 -0.00066 0.03618 0.02287 0.02003
|
|
387 14F 0 -0.03537 -0.09016 0.07794 -0.21632 -0.06950
|
|
388 14F+1 0.62178 0.34701 -0.06781 -0.00590 0.08632
|
|
389 14F-1 -0.17072 -0.09810 -0.26098 0.30394 0.17543
|
|
390 14F+2 -0.65998 -0.31105 0.03512 0.43513 0.30283
|
|
391 14F-2 -0.30189 0.12489 0.22056 0.21002 -0.08751
|
|
392 14F+3 0.43060 0.18831 -0.00070 0.02824 -0.18249
|
|
393 14F-3 0.05822 0.02681 -0.37121 -0.35441 -0.19129
|
|
394 15G 0 -0.00003 0.00139 0.01138 -0.01255 0.01293
|
|
395 15G+1 0.01996 0.01725 -0.01055 0.00934 0.00108
|
|
396 15G-1 -0.00692 0.00127 -0.01587 0.01793 -0.00072
|
|
397 15G+2 -0.03719 -0.01653 -0.00070 0.02354 0.00683
|
|
398 15G-2 -0.00503 -0.00528 0.01566 0.00466 -0.00611
|
|
399 15G+3 0.01444 0.00951 0.00672 -0.00846 -0.00670
|
|
400 15G-3 0.01900 0.00423 -0.01526 -0.02286 -0.00251
|
|
401 15G+4 -0.00240 0.00095 -0.00612 -0.00496 0.00010
|
|
402 15G-4 -0.00747 -0.00234 0.00139 0.00846 0.00148
|
|
151 152 153 154 155
|
|
V V V V V
|
|
Eigenvalues -- 4.88795 4.91908 4.92477 4.94595 4.95874
|
|
1 1 C 1S -0.00563 -0.00927 0.00000 -0.00499 0.00000
|
|
2 2S -0.02957 0.01627 0.00000 0.01169 0.00000
|
|
3 3S -0.28677 0.02849 0.00000 -0.09107 0.00000
|
|
4 4S 1.09069 -2.78856 0.00000 1.77555 0.00000
|
|
5 5S -0.84581 12.75706 0.00000 -7.71636 0.00000
|
|
6 6S -0.72640 2.20148 0.00000 -1.75134 0.00000
|
|
7 7PX -0.00345 0.02113 0.00000 -0.00630 0.00000
|
|
8 7PY -0.03269 -0.02608 0.00000 -0.07201 0.00000
|
|
9 7PZ 0.00000 0.00000 -0.01533 0.00000 -0.02393
|
|
10 8PX -0.12874 0.52892 0.00000 -0.31266 0.00000
|
|
11 8PY -1.54806 0.35286 0.00000 -0.86403 0.00000
|
|
12 8PZ 0.00000 0.00000 -0.63800 0.00000 -1.02841
|
|
13 9PX 2.16461 -8.70486 0.00000 10.21496 0.00000
|
|
14 9PY 7.87320 -2.50929 0.00000 5.57256 0.00000
|
|
15 9PZ 0.00000 0.00000 12.78262 0.00000 16.89698
|
|
16 10PX 2.57976 -5.62781 0.00000 5.91846 0.00000
|
|
17 10PY 7.05281 -1.55378 0.00000 4.79910 0.00000
|
|
18 10PZ 0.00000 0.00000 6.00583 0.00000 8.86214
|
|
19 11PX 0.31271 -0.10547 0.00000 -0.20876 0.00000
|
|
20 11PY -0.04063 -0.36716 0.00000 -0.08794 0.00000
|
|
21 11PZ 0.00000 0.00000 0.36145 0.00000 0.18056
|
|
22 12D 0 0.00673 0.02746 0.00000 -0.04162 0.00000
|
|
23 12D+1 0.00000 0.00000 -0.04253 0.00000 -0.04914
|
|
24 12D-1 0.00000 0.00000 -0.03470 0.00000 -0.05620
|
|
25 12D+2 0.04439 -0.01377 0.00000 0.04142 0.00000
|
|
26 12D-2 0.00108 -0.00706 0.00000 -0.06207 0.00000
|
|
27 13D 0 -0.02768 -0.08770 0.00000 0.20988 0.00000
|
|
28 13D+1 0.00000 0.00000 0.32679 0.00000 0.26441
|
|
29 13D-1 0.00000 0.00000 0.18300 0.00000 0.31858
|
|
30 13D+2 -0.54632 0.03163 0.00000 -0.52090 0.00000
|
|
31 13D-2 0.21408 0.23019 0.00000 0.65230 0.00000
|
|
32 14D 0 1.14078 -3.92460 0.00000 6.51863 0.00000
|
|
33 14D+1 0.00000 0.00000 4.02463 0.00000 5.98898
|
|
34 14D-1 0.00000 0.00000 4.10485 0.00000 7.13942
|
|
35 14D+2 1.49856 1.32947 0.00000 1.21568 0.00000
|
|
36 14D-2 -0.28232 -4.62681 0.00000 1.58510 0.00000
|
|
37 15D 0 0.34321 -0.99225 0.00000 2.17795 0.00000
|
|
38 15D+1 0.00000 0.00000 1.40214 0.00000 0.97050
|
|
39 15D-1 0.00000 0.00000 1.13986 0.00000 3.14837
|
|
40 15D+2 0.63767 0.14938 0.00000 -0.16392 0.00000
|
|
41 15D-2 0.87318 -2.72064 0.00000 0.20389 0.00000
|
|
42 16F 0 0.00000 0.00000 -0.06142 0.00000 0.01834
|
|
43 16F+1 -0.00594 -0.00267 0.00000 -0.02922 0.00000
|
|
44 16F-1 0.02858 -0.02548 0.00000 0.01164 0.00000
|
|
45 16F+2 0.00000 0.00000 -0.06926 0.00000 0.00305
|
|
46 16F-2 0.00000 0.00000 0.02044 0.00000 -0.02303
|
|
47 16F+3 -0.00912 0.01918 0.00000 0.01549 0.00000
|
|
48 16F-3 0.01595 -0.05259 0.00000 0.06449 0.00000
|
|
49 17F 0 0.00000 0.00000 0.86518 0.00000 -0.17921
|
|
50 17F+1 0.08848 0.12735 0.00000 0.48591 0.00000
|
|
51 17F-1 -0.10756 -0.08296 0.00000 0.40106 0.00000
|
|
52 17F+2 0.00000 0.00000 0.73031 0.00000 0.12261
|
|
53 17F-2 0.00000 0.00000 0.47031 0.00000 1.08321
|
|
54 17F+3 0.14343 -0.33607 0.00000 0.23362 0.00000
|
|
55 17F-3 0.09359 0.79054 0.00000 -0.89279 0.00000
|
|
56 18F 0 0.00000 0.00000 0.82716 0.00000 0.60530
|
|
57 18F+1 -0.19542 0.78893 0.00000 -0.21861 0.00000
|
|
58 18F-1 0.04777 0.22631 0.00000 0.29914 0.00000
|
|
59 18F+2 0.00000 0.00000 1.61813 0.00000 -0.00166
|
|
60 18F-2 0.00000 0.00000 0.23949 0.00000 0.68118
|
|
61 18F+3 -0.80648 -1.22171 0.00000 0.20854 0.00000
|
|
62 18F-3 0.03064 1.15729 0.00000 0.12784 0.00000
|
|
63 19G 0 -0.01575 0.07107 0.00000 0.00494 0.00000
|
|
64 19G+1 0.00000 0.00000 -0.05416 0.00000 0.03560
|
|
65 19G-1 0.00000 0.00000 0.05623 0.00000 -0.04248
|
|
66 19G+2 0.09141 0.01407 0.00000 -0.01303 0.00000
|
|
67 19G-2 0.00709 -0.00085 0.00000 0.00477 0.00000
|
|
68 19G+3 0.00000 0.00000 -0.03493 0.00000 -0.05972
|
|
69 19G-3 0.00000 0.00000 -0.02233 0.00000 0.03826
|
|
70 19G+4 -0.01845 0.00566 0.00000 -0.02478 0.00000
|
|
71 19G-4 -0.00784 -0.00697 0.00000 0.03828 0.00000
|
|
72 20G 0 0.24812 -0.67807 0.00000 -0.21540 0.00000
|
|
73 20G+1 0.00000 0.00000 1.83304 0.00000 0.34375
|
|
74 20G-1 0.00000 0.00000 -0.12907 0.00000 1.18492
|
|
75 20G+2 -1.41519 -0.28208 0.00000 0.48870 0.00000
|
|
76 20G-2 0.45852 -0.01083 0.00000 0.08095 0.00000
|
|
77 20G+3 0.00000 0.00000 0.33002 0.00000 0.53225
|
|
78 20G-3 0.00000 0.00000 0.52441 0.00000 0.28368
|
|
79 20G+4 -0.48587 0.49561 0.00000 0.21328 0.00000
|
|
80 20G-4 -0.09196 -0.46776 0.00000 -0.00039 0.00000
|
|
81 21H 0 0.00000 0.00000 0.02274 0.00000 -0.08352
|
|
82 21H+1 -0.06480 -0.01537 0.00000 0.06978 0.00000
|
|
83 21H-1 0.08771 -0.04248 0.00000 0.01167 0.00000
|
|
84 21H+2 0.00000 0.00000 0.03775 0.00000 -0.01013
|
|
85 21H-2 0.00000 0.00000 0.10081 0.00000 0.09802
|
|
86 21H+3 -0.01202 0.04026 0.00000 0.04949 0.00000
|
|
87 21H-3 -0.02458 -0.06149 0.00000 0.05137 0.00000
|
|
88 21H+4 0.00000 0.00000 -0.02736 0.00000 0.03081
|
|
89 21H-4 0.00000 0.00000 -0.06712 0.00000 0.02395
|
|
90 21H+5 0.03895 0.01556 0.00000 -0.00752 0.00000
|
|
91 21H-5 0.02881 0.05036 0.00000 0.05771 0.00000
|
|
92 2 O 1S -0.01700 -0.05742 0.00000 -0.00237 0.00000
|
|
93 2S 0.01529 -0.00829 0.00000 -0.03373 0.00000
|
|
94 3S -0.08632 -0.70428 0.00000 -0.21744 0.00000
|
|
95 4S -0.13133 3.44384 0.00000 0.36987 0.00000
|
|
96 5S 4.44274 1.26730 0.00000 5.53737 0.00000
|
|
97 6S 6.33647 -2.90780 0.00000 6.06481 0.00000
|
|
98 7PX -0.00703 -0.03006 0.00000 -0.03693 0.00000
|
|
99 7PY 0.07087 -0.02190 0.00000 0.03053 0.00000
|
|
100 7PZ 0.00000 0.00000 0.01984 0.00000 -0.02138
|
|
101 8PX -0.05383 -0.27252 0.00000 -0.28066 0.00000
|
|
102 8PY 0.11187 -0.25924 0.00000 0.32034 0.00000
|
|
103 8PZ 0.00000 0.00000 0.32736 0.00000 -0.14108
|
|
104 9PX 1.07911 2.94163 0.00000 3.13275 0.00000
|
|
105 9PY -0.08938 0.41736 0.00000 -2.48944 0.00000
|
|
106 9PZ 0.00000 0.00000 -1.05331 0.00000 0.39163
|
|
107 10PX -1.70817 -0.63759 0.00000 -4.80052 0.00000
|
|
108 10PY 6.11412 -4.84441 0.00000 8.86778 0.00000
|
|
109 10PZ 0.00000 0.00000 0.78351 0.00000 0.92367
|
|
110 11PX 0.43393 0.47451 0.00000 0.39597 0.00000
|
|
111 11PY 0.50231 -0.84222 0.00000 0.38063 0.00000
|
|
112 11PZ 0.00000 0.00000 -0.18305 0.00000 0.12712
|
|
113 12D 0 -0.01712 0.01078 0.00000 0.00605 0.00000
|
|
114 12D+1 0.00000 0.00000 -0.00210 0.00000 0.00606
|
|
115 12D-1 0.00000 0.00000 0.01494 0.00000 -0.00699
|
|
116 12D+2 -0.02523 0.01126 0.00000 -0.05333 0.00000
|
|
117 12D-2 0.00975 0.00730 0.00000 0.01139 0.00000
|
|
118 13D 0 0.06662 -0.08237 0.00000 -0.03721 0.00000
|
|
119 13D+1 0.00000 0.00000 0.03271 0.00000 -0.02989
|
|
120 13D-1 0.00000 0.00000 -0.03268 0.00000 0.05900
|
|
121 13D+2 0.13994 -0.01401 0.00000 0.21344 0.00000
|
|
122 13D-2 -0.03107 -0.08826 0.00000 -0.03113 0.00000
|
|
123 14D 0 -0.83393 -0.26851 0.00000 -0.37176 0.00000
|
|
124 14D+1 0.00000 0.00000 -0.38488 0.00000 0.42318
|
|
125 14D-1 0.00000 0.00000 0.39211 0.00000 -0.30780
|
|
126 14D+2 -0.65023 1.13891 0.00000 -0.72748 0.00000
|
|
127 14D-2 0.11493 -0.00361 0.00000 -0.50034 0.00000
|
|
128 15D 0 -0.34731 1.18871 0.00000 -0.52940 0.00000
|
|
129 15D+1 0.00000 0.00000 -0.48977 0.00000 -0.15146
|
|
130 15D-1 0.00000 0.00000 1.22947 0.00000 0.20795
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381 13F+1 0.03903 -0.00638 0.04271 -0.00378 0.01531
|
|
382 13F-1 -0.01034 -0.01005 -0.00656 0.00810 0.05211
|
|
383 13F+2 -0.01115 -0.00305 -0.02754 0.01792 -0.00980
|
|
384 13F-2 0.00088 -0.00026 -0.01539 0.00879 0.03301
|
|
385 13F+3 0.00872 -0.02954 -0.00520 0.00291 0.04292
|
|
386 13F-3 -0.00543 0.04147 -0.00102 -0.01653 -0.00310
|
|
387 14F 0 -0.27508 0.39348 -0.14735 0.11873 -0.00219
|
|
388 14F+1 -0.26981 0.04711 -0.60711 0.13013 -0.48081
|
|
389 14F-1 0.08591 0.06201 -0.14288 0.14386 -0.94024
|
|
390 14F+2 -0.08954 0.05139 0.10217 -0.05950 0.17794
|
|
391 14F-2 -0.05702 0.17069 0.55647 -0.32649 -0.01617
|
|
392 14F+3 0.01968 0.34223 0.25230 -0.10846 -0.45192
|
|
393 14F-3 0.15087 -0.47839 -0.04591 0.17427 -0.04874
|
|
394 15G 0 -0.00529 0.01288 -0.01234 0.01682 -0.00694
|
|
395 15G+1 -0.00472 0.00033 -0.00575 0.00085 -0.01092
|
|
396 15G-1 0.00989 0.00198 0.00362 0.00171 -0.02641
|
|
397 15G+2 -0.00309 0.00294 0.00274 0.00475 0.00023
|
|
398 15G-2 -0.00223 0.00796 0.02385 -0.01411 0.02106
|
|
399 15G+3 0.00406 0.00497 0.01844 -0.00606 -0.01363
|
|
400 15G-3 0.00351 -0.01029 -0.00512 0.00345 -0.00287
|
|
401 15G+4 0.00171 -0.00686 -0.00829 -0.00169 0.00882
|
|
402 15G-4 -0.00610 0.00128 -0.00663 0.00000 0.00494
|
|
156 157 158 159 160
|
|
V V V V V
|
|
Eigenvalues -- 5.01067 5.08033 5.12977 5.15480 5.19144
|
|
1 1 C 1S -0.00399 0.00000 0.00000 -0.01610 -0.01045
|
|
2 2S -0.01387 0.00000 0.00000 0.00397 -0.01559
|
|
3 3S -0.11507 0.00000 0.00000 -0.17252 -0.07590
|
|
4 4S -1.07924 0.00000 0.00000 -3.28660 -4.34435
|
|
5 5S 7.91955 0.00000 0.00000 19.53475 18.26756
|
|
6 6S 1.30454 0.00000 0.00000 2.97127 4.64726
|
|
7 7PX -0.02285 0.00000 0.00000 0.03844 -0.01775
|
|
8 7PY 0.01092 0.00000 0.00000 0.00189 0.06101
|
|
9 7PZ 0.00000 -0.01378 0.05745 0.00000 0.00000
|
|
10 8PX -1.11506 0.00000 0.00000 0.05992 0.66183
|
|
11 8PY -0.11738 0.00000 0.00000 -0.06862 -0.23975
|
|
12 8PZ 0.00000 -0.59860 0.01856 0.00000 0.00000
|
|
13 9PX 20.37463 0.00000 0.00000 -0.04416 -1.06483
|
|
14 9PY 1.95826 0.00000 0.00000 2.21863 3.35920
|
|
15 9PZ 0.00000 10.69898 -1.18683 0.00000 0.00000
|
|
16 10PX 7.63412 0.00000 0.00000 0.57912 0.40859
|
|
17 10PY 1.48657 0.00000 0.00000 0.46892 -1.55976
|
|
18 10PZ 0.00000 4.60894 -1.02780 0.00000 0.00000
|
|
19 11PX 0.39084 0.00000 0.00000 0.22149 0.27163
|
|
20 11PY -0.03418 0.00000 0.00000 -0.13522 -0.10787
|
|
21 11PZ 0.00000 -0.06993 0.59948 0.00000 0.00000
|
|
22 12D 0 -0.06086 0.00000 0.00000 -0.01322 -0.01661
|
|
23 12D+1 0.00000 -0.04008 0.00811 0.00000 0.00000
|
|
24 12D-1 0.00000 -0.02218 0.05793 0.00000 0.00000
|
|
25 12D+2 0.03280 0.00000 0.00000 -0.02628 0.01987
|
|
26 12D-2 -0.05927 0.00000 0.00000 -0.00468 0.01678
|
|
27 13D 0 0.52575 0.00000 0.00000 -0.05915 0.25227
|
|
28 13D+1 0.00000 0.33692 -0.19933 0.00000 0.00000
|
|
29 13D-1 0.00000 0.16175 -0.98539 0.00000 0.00000
|
|
30 13D+2 -0.30079 0.00000 0.00000 0.35618 -0.18573
|
|
31 13D-2 0.44968 0.00000 0.00000 -0.30106 0.00714
|
|
32 14D 0 4.81679 0.00000 0.00000 0.18982 -0.38460
|
|
33 14D+1 0.00000 3.59627 -2.14647 0.00000 0.00000
|
|
34 14D-1 0.00000 1.39343 3.51188 0.00000 0.00000
|
|
35 14D+2 -3.66751 0.00000 0.00000 0.15916 -1.02095
|
|
36 14D-2 4.65570 0.00000 0.00000 3.23557 -0.10106
|
|
37 15D 0 0.79792 0.00000 0.00000 -0.06074 -0.30247
|
|
38 15D+1 0.00000 1.60031 -1.18547 0.00000 0.00000
|
|
39 15D-1 0.00000 -0.50510 2.86065 0.00000 0.00000
|
|
40 15D+2 -0.64997 0.00000 0.00000 -0.58536 -0.74069
|
|
41 15D-2 1.91045 0.00000 0.00000 3.31570 -1.30390
|
|
42 16F 0 0.00000 -0.05596 -0.02064 0.00000 0.00000
|
|
43 16F+1 -0.01134 0.00000 0.00000 -0.01833 -0.05069
|
|
44 16F-1 0.00543 0.00000 0.00000 -0.05563 -0.02710
|
|
45 16F+2 0.00000 0.00211 0.01004 0.00000 0.00000
|
|
46 16F-2 0.00000 -0.00711 0.01316 0.00000 0.00000
|
|
47 16F+3 -0.02512 0.00000 0.00000 0.06931 -0.08986
|
|
48 16F-3 -0.01715 0.00000 0.00000 -0.02379 -0.11358
|
|
49 17F 0 0.00000 0.80730 0.05310 0.00000 0.00000
|
|
50 17F+1 0.23957 0.00000 0.00000 0.59405 0.66947
|
|
51 17F-1 0.76364 0.00000 0.00000 0.70904 0.60075
|
|
52 17F+2 0.00000 0.01560 -0.26014 0.00000 0.00000
|
|
53 17F-2 0.00000 0.47715 -0.36939 0.00000 0.00000
|
|
54 17F+3 0.58266 0.00000 0.00000 -1.03229 1.01938
|
|
55 17F-3 -0.25681 0.00000 0.00000 0.34917 1.24832
|
|
56 18F 0 0.00000 -0.65589 0.80119 0.00000 0.00000
|
|
57 18F+1 0.74483 0.00000 0.00000 1.90943 1.52443
|
|
58 18F-1 1.31268 0.00000 0.00000 1.04006 0.92418
|
|
59 18F+2 0.00000 -0.69617 0.84947 0.00000 0.00000
|
|
60 18F-2 0.00000 1.75079 0.02671 0.00000 0.00000
|
|
61 18F+3 0.12673 0.00000 0.00000 0.44195 0.18238
|
|
62 18F-3 -0.22530 0.00000 0.00000 1.59532 0.87862
|
|
63 19G 0 -0.01635 0.00000 0.00000 -0.06814 -0.00741
|
|
64 19G+1 0.00000 0.03959 0.03342 0.00000 0.00000
|
|
65 19G-1 0.00000 0.00926 -0.00012 0.00000 0.00000
|
|
66 19G+2 0.01813 0.00000 0.00000 0.00864 -0.02767
|
|
67 19G-2 0.00353 0.00000 0.00000 -0.00194 0.00983
|
|
68 19G+3 0.00000 0.05204 -0.02433 0.00000 0.00000
|
|
69 19G-3 0.00000 -0.02921 0.00714 0.00000 0.00000
|
|
70 19G+4 0.01106 0.00000 0.00000 0.02557 -0.00053
|
|
71 19G-4 -0.01540 0.00000 0.00000 0.03829 0.03223
|
|
72 20G 0 -0.77261 0.00000 0.00000 0.85177 0.04511
|
|
73 20G+1 0.00000 0.70770 -0.24134 0.00000 0.00000
|
|
74 20G-1 0.00000 0.62423 0.40881 0.00000 0.00000
|
|
75 20G+2 0.99910 0.00000 0.00000 -0.40941 0.41361
|
|
76 20G-2 0.72172 0.00000 0.00000 0.72544 0.64048
|
|
77 20G+3 0.00000 -0.56166 0.09663 0.00000 0.00000
|
|
78 20G-3 0.00000 0.41907 -0.10485 0.00000 0.00000
|
|
79 20G+4 -0.91895 0.00000 0.00000 0.04656 -0.31174
|
|
80 20G-4 0.86254 0.00000 0.00000 -0.32347 -1.17168
|
|
81 21H 0 0.00000 0.05091 -0.04577 0.00000 0.00000
|
|
82 21H+1 -0.00114 0.00000 0.00000 0.00502 -0.02944
|
|
83 21H-1 -0.06361 0.00000 0.00000 0.00913 -0.02253
|
|
84 21H+2 0.00000 0.01996 -0.12033 0.00000 0.00000
|
|
85 21H-2 0.00000 0.05193 0.07288 0.00000 0.00000
|
|
86 21H+3 -0.01392 0.00000 0.00000 -0.05983 -0.04585
|
|
87 21H-3 0.10316 0.00000 0.00000 0.00880 -0.03576
|
|
88 21H+4 0.00000 0.03999 -0.04338 0.00000 0.00000
|
|
89 21H-4 0.00000 -0.01465 0.01703 0.00000 0.00000
|
|
90 21H+5 0.05443 0.00000 0.00000 -0.05468 0.04327
|
|
91 21H-5 -0.02002 0.00000 0.00000 -0.05156 0.00838
|
|
92 2 O 1S -0.00639 0.00000 0.00000 -0.01312 -0.02466
|
|
93 2S 0.01672 0.00000 0.00000 -0.02473 0.02243
|
|
94 3S 0.01993 0.00000 0.00000 -0.29612 -0.19887
|
|
95 4S 0.01519 0.00000 0.00000 1.59093 2.15865
|
|
96 5S -0.40507 0.00000 0.00000 -1.80244 -8.47322
|
|
97 6S -0.50279 0.00000 0.00000 -4.64414 -7.74151
|
|
98 7PX 0.00511 0.00000 0.00000 -0.00969 0.01574
|
|
99 7PY 0.00789 0.00000 0.00000 -0.04823 -0.06205
|
|
100 7PZ 0.00000 -0.01785 0.07112 0.00000 0.00000
|
|
101 8PX 0.03006 0.00000 0.00000 -0.16208 0.27018
|
|
102 8PY -0.11828 0.00000 0.00000 -0.19591 -0.23415
|
|
103 8PZ 0.00000 -0.31790 0.66846 0.00000 0.00000
|
|
104 9PX -0.28307 0.00000 0.00000 1.23573 -1.65372
|
|
105 9PY 0.87071 0.00000 0.00000 0.10273 0.89930
|
|
106 9PZ 0.00000 1.17209 -1.60186 0.00000 0.00000
|
|
107 10PX 0.48097 0.00000 0.00000 0.82436 -2.73710
|
|
108 10PY -1.59378 0.00000 0.00000 -0.46787 -1.99764
|
|
109 10PZ 0.00000 -1.00666 3.48965 0.00000 0.00000
|
|
110 11PX 0.18466 0.00000 0.00000 0.22523 -0.55660
|
|
111 11PY -0.21770 0.00000 0.00000 -0.67166 -0.15800
|
|
112 11PZ 0.00000 0.10586 -0.04479 0.00000 0.00000
|
|
113 12D 0 -0.00058 0.00000 0.00000 0.01629 0.00641
|
|
114 12D+1 0.00000 0.00649 0.01086 0.00000 0.00000
|
|
115 12D-1 0.00000 -0.02266 0.00115 0.00000 0.00000
|
|
116 12D+2 0.01237 0.00000 0.00000 0.00517 0.01212
|
|
117 12D-2 -0.01391 0.00000 0.00000 0.01545 0.02487
|
|
118 13D 0 0.00859 0.00000 0.00000 -0.09755 -0.02699
|
|
119 13D+1 0.00000 -0.04310 -0.04203 0.00000 0.00000
|
|
120 13D-1 0.00000 0.06053 0.00908 0.00000 0.00000
|
|
121 13D+2 -0.05905 0.00000 0.00000 -0.07477 -0.10628
|
|
122 13D-2 0.02759 0.00000 0.00000 -0.07724 -0.01498
|
|
123 14D 0 0.02432 0.00000 0.00000 0.23427 0.48104
|
|
124 14D+1 0.00000 0.63671 0.30025 0.00000 0.00000
|
|
125 14D-1 0.00000 -0.69732 -0.08537 0.00000 0.00000
|
|
126 14D+2 0.24184 0.00000 0.00000 0.75989 -0.17557
|
|
127 14D-2 -0.08321 0.00000 0.00000 0.63922 1.21517
|
|
128 15D 0 0.62630 0.00000 0.00000 0.63347 1.16633
|
|
129 15D+1 0.00000 1.01332 -0.32211 0.00000 0.00000
|
|
130 15D-1 0.00000 -1.12220 2.26488 0.00000 0.00000
|
|
131 15D+2 0.57736 0.00000 0.00000 0.54728 -0.94157
|
|
132 15D-2 -0.55520 0.00000 0.00000 2.00608 2.15768
|
|
133 16F 0 0.00000 0.01308 0.00690 0.00000 0.00000
|
|
134 16F+1 -0.00182 0.00000 0.00000 0.00116 0.00027
|
|
135 16F-1 0.00965 0.00000 0.00000 0.00111 -0.00055
|
|
136 16F+2 0.00000 -0.00589 -0.00865 0.00000 0.00000
|
|
137 16F-2 0.00000 0.00313 0.00102 0.00000 0.00000
|
|
138 16F+3 -0.01027 0.00000 0.00000 -0.01400 -0.01401
|
|
139 16F-3 -0.00612 0.00000 0.00000 -0.02018 -0.00064
|
|
140 17F 0 0.00000 -0.10007 -0.02070 0.00000 0.00000
|
|
141 17F+1 0.02534 0.00000 0.00000 -0.02264 0.04134
|
|
142 17F-1 -0.06619 0.00000 0.00000 -0.03721 -0.03850
|
|
143 17F+2 0.00000 0.03154 0.04079 0.00000 0.00000
|
|
144 17F-2 0.00000 -0.00671 0.01243 0.00000 0.00000
|
|
145 17F+3 0.03149 0.00000 0.00000 0.13771 0.09797
|
|
146 17F-3 0.04810 0.00000 0.00000 0.12501 0.01222
|
|
147 18F 0 0.00000 0.21610 -0.49706 0.00000 0.00000
|
|
148 18F+1 0.19598 0.00000 0.00000 0.19680 -0.35216
|
|
149 18F-1 0.32140 0.00000 0.00000 -0.23485 0.46216
|
|
150 18F+2 0.00000 0.70877 -0.66015 0.00000 0.00000
|
|
151 18F-2 0.00000 0.11940 -0.07362 0.00000 0.00000
|
|
152 18F+3 0.50427 0.00000 0.00000 0.03183 -1.87822
|
|
153 18F-3 -0.24277 0.00000 0.00000 0.25359 0.61473
|
|
154 19G 0 0.00428 0.00000 0.00000 0.00507 -0.00679
|
|
155 19G+1 0.00000 0.00168 0.01099 0.00000 0.00000
|
|
156 19G-1 0.00000 0.00355 0.01878 0.00000 0.00000
|
|
157 19G+2 -0.00316 0.00000 0.00000 0.00315 0.00263
|
|
158 19G-2 0.00206 0.00000 0.00000 0.01409 -0.00474
|
|
159 19G+3 0.00000 -0.00878 -0.00404 0.00000 0.00000
|
|
160 19G-3 0.00000 -0.01029 0.00661 0.00000 0.00000
|
|
161 19G+4 -0.00528 0.00000 0.00000 -0.00215 0.01559
|
|
162 19G-4 -0.00437 0.00000 0.00000 0.00678 0.00978
|
|
163 20G 0 -0.03509 0.00000 0.00000 -0.05353 0.05541
|
|
164 20G+1 0.00000 -0.06743 -0.13419 0.00000 0.00000
|
|
165 20G-1 0.00000 -0.00822 -0.13496 0.00000 0.00000
|
|
166 20G+2 0.03129 0.00000 0.00000 -0.05555 -0.02026
|
|
167 20G-2 -0.03136 0.00000 0.00000 -0.14979 0.04234
|
|
168 20G+3 0.00000 0.10476 0.05878 0.00000 0.00000
|
|
169 20G-3 0.00000 0.04545 -0.08671 0.00000 0.00000
|
|
170 20G+4 0.07394 0.00000 0.00000 0.08909 -0.16974
|
|
171 20G-4 0.05782 0.00000 0.00000 -0.05074 -0.02567
|
|
172 21H 0 0.00000 -0.00279 0.02180 0.00000 0.00000
|
|
173 21H+1 -0.00176 0.00000 0.00000 -0.00210 0.01436
|
|
174 21H-1 -0.00383 0.00000 0.00000 -0.00113 -0.01279
|
|
175 21H+2 0.00000 -0.00698 -0.00072 0.00000 0.00000
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|
176 21H-2 0.00000 0.00135 0.01181 0.00000 0.00000
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|
177 21H+3 -0.00570 0.00000 0.00000 0.00272 0.00988
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|
178 21H-3 -0.00071 0.00000 0.00000 -0.00421 0.00588
|
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179 21H+4 0.00000 -0.00261 0.01067 0.00000 0.00000
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|
180 21H-4 0.00000 0.00079 -0.01485 0.00000 0.00000
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|
181 21H+5 -0.00430 0.00000 0.00000 0.00496 -0.00604
|
|
182 21H-5 0.00118 0.00000 0.00000 -0.00440 0.00238
|
|
183 3 H 1S 0.01824 0.00000 0.00000 0.01783 0.02387
|
|
184 2S -0.37843 0.00000 0.00000 -0.60288 -0.51417
|
|
185 3S 13.87804 0.00000 0.00000 -3.12821 -4.11725
|
|
186 4S 8.97281 0.00000 0.00000 -0.78612 -1.03325
|
|
187 5S -0.01676 0.00000 0.00000 0.09892 -0.07944
|
|
188 6PX 0.03344 0.00000 0.00000 -0.02196 0.01830
|
|
189 6PY 0.01309 0.00000 0.00000 0.00941 -0.02820
|
|
190 6PZ 0.00000 0.00032 0.00965 0.00000 0.00000
|
|
191 7PX -0.36026 0.00000 0.00000 0.18615 -0.09759
|
|
192 7PY 0.00152 0.00000 0.00000 -0.09470 0.27204
|
|
193 7PZ 0.00000 0.02304 -0.07218 0.00000 0.00000
|
|
194 8PX 7.55935 0.00000 0.00000 -1.52052 -1.83889
|
|
195 8PY -2.90181 0.00000 0.00000 0.89527 -1.43429
|
|
196 8PZ 0.00000 -0.05363 -0.45796 0.00000 0.00000
|
|
197 9PX 5.34078 0.00000 0.00000 -0.37190 -0.47555
|
|
198 9PY -1.47173 0.00000 0.00000 1.65625 -1.56045
|
|
199 9PZ 0.00000 0.93839 -1.68040 0.00000 0.00000
|
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200 10D 0 0.07044 0.00000 0.00000 0.01586 -0.00879
|
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201 10D+1 0.00000 0.03713 -0.01179 0.00000 0.00000
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202 10D-1 0.00000 0.03085 -0.04992 0.00000 0.00000
|
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203 10D+2 0.02013 0.00000 0.00000 0.01231 0.02651
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204 10D-2 0.05003 0.00000 0.00000 0.01646 -0.02197
|
|
205 11D 0 -0.54285 0.00000 0.00000 -0.07733 0.17146
|
|
206 11D+1 0.00000 -0.35190 0.13896 0.00000 0.00000
|
|
207 11D-1 0.00000 -0.17956 0.32431 0.00000 0.00000
|
|
208 11D+2 -0.05018 0.00000 0.00000 -0.14923 -0.36700
|
|
209 11D-2 -0.49207 0.00000 0.00000 -0.10710 0.22641
|
|
210 12D 0 -1.47147 0.00000 0.00000 0.92057 -0.33604
|
|
211 12D+1 0.00000 0.63129 -1.08068 0.00000 0.00000
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212 12D-1 0.00000 0.55528 -0.19450 0.00000 0.00000
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213 12D+2 2.43964 0.00000 0.00000 0.58431 -0.77144
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|
214 12D-2 -2.05167 0.00000 0.00000 1.09350 -1.86601
|
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215 13F 0 0.00000 -0.00764 -0.01192 0.00000 0.00000
|
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216 13F+1 0.03733 0.00000 0.00000 -0.02606 0.02632
|
|
217 13F-1 -0.00626 0.00000 0.00000 0.04195 -0.01169
|
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218 13F+2 0.00000 -0.04379 0.02781 0.00000 0.00000
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219 13F-2 0.00000 0.00199 -0.00590 0.00000 0.00000
|
|
220 13F+3 -0.01163 0.00000 0.00000 -0.03707 -0.00465
|
|
221 13F-3 0.03184 0.00000 0.00000 -0.00288 0.01593
|
|
222 14F 0 0.00000 0.15340 0.17302 0.00000 0.00000
|
|
223 14F+1 -0.74493 0.00000 0.00000 0.41331 -0.21996
|
|
224 14F-1 0.25401 0.00000 0.00000 -0.51796 0.26916
|
|
225 14F+2 0.00000 0.38618 -0.32642 0.00000 0.00000
|
|
226 14F-2 0.00000 0.08930 0.07179 0.00000 0.00000
|
|
227 14F+3 0.24785 0.00000 0.00000 0.52588 -0.50684
|
|
228 14F-3 -0.92050 0.00000 0.00000 0.23905 -0.44933
|
|
229 15G 0 0.01107 0.00000 0.00000 -0.01175 0.00585
|
|
230 15G+1 0.00000 -0.00764 0.00705 0.00000 0.00000
|
|
231 15G-1 0.00000 0.00004 0.00132 0.00000 0.00000
|
|
232 15G+2 -0.01546 0.00000 0.00000 0.00762 0.00198
|
|
233 15G-2 0.01879 0.00000 0.00000 -0.00851 0.01819
|
|
234 15G+3 0.00000 0.00896 -0.01455 0.00000 0.00000
|
|
235 15G-3 0.00000 0.00878 0.00006 0.00000 0.00000
|
|
236 15G+4 0.00665 0.00000 0.00000 0.02660 -0.03423
|
|
237 15G-4 -0.03444 0.00000 0.00000 0.01234 -0.01765
|
|
238 4 H 1S 0.00320 0.00000 0.00000 -0.02203 0.00463
|
|
239 2S -0.12194 0.00000 0.00000 0.20638 -0.04293
|
|
240 3S -0.46923 0.00000 0.00000 0.42025 7.38591
|
|
241 4S -0.39032 0.00000 0.00000 1.41173 1.20333
|
|
242 5S -0.12997 0.00000 0.00000 -0.45868 -0.12724
|
|
243 6PX 0.00554 0.00000 0.00000 -0.01531 -0.02187
|
|
244 6PY 0.03276 0.00000 0.00000 -0.02397 0.03293
|
|
245 6PZ 0.00000 0.01882 0.00136 0.00000 0.00000
|
|
246 7PX -0.00372 0.00000 0.00000 0.08201 0.28560
|
|
247 7PY -0.21891 0.00000 0.00000 0.23731 -0.31118
|
|
248 7PZ 0.00000 -0.09404 0.02283 0.00000 0.00000
|
|
249 8PX -0.05478 0.00000 0.00000 0.02296 -3.32243
|
|
250 8PY 0.04419 0.00000 0.00000 -1.43008 1.83306
|
|
251 8PZ 0.00000 -0.78484 -0.09152 0.00000 0.00000
|
|
252 9PX 0.19835 0.00000 0.00000 -0.04094 -1.28338
|
|
253 9PY -0.12340 0.00000 0.00000 -0.18226 -1.27736
|
|
254 9PZ 0.00000 -1.02832 0.44191 0.00000 0.00000
|
|
255 10D 0 -0.05754 0.00000 0.00000 -0.06923 0.03985
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|
256 10D+1 0.00000 -0.01381 -0.10727 0.00000 0.00000
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257 10D-1 0.00000 -0.09196 -0.05577 0.00000 0.00000
|
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258 10D+2 -0.03686 0.00000 0.00000 0.00861 0.04060
|
|
259 10D-2 0.03084 0.00000 0.00000 0.05059 0.05064
|
|
260 11D 0 0.35194 0.00000 0.00000 0.41855 -0.33965
|
|
261 11D+1 0.00000 0.09058 0.79482 0.00000 0.00000
|
|
262 11D-1 0.00000 0.57726 0.31881 0.00000 0.00000
|
|
263 11D+2 0.28908 0.00000 0.00000 -0.03124 -0.28142
|
|
264 11D-2 -0.15351 0.00000 0.00000 -0.33240 -0.53425
|
|
265 12D 0 -0.51859 0.00000 0.00000 -0.19007 0.47702
|
|
266 12D+1 0.00000 1.10507 -0.65661 0.00000 0.00000
|
|
267 12D-1 0.00000 -0.89098 -0.16928 0.00000 0.00000
|
|
268 12D+2 0.02758 0.00000 0.00000 -0.13005 1.81759
|
|
269 12D-2 0.45845 0.00000 0.00000 1.87100 -0.06317
|
|
270 13F 0 0.00000 -0.02013 0.01655 0.00000 0.00000
|
|
271 13F+1 -0.01636 0.00000 0.00000 -0.00131 0.05953
|
|
272 13F-1 -0.00038 0.00000 0.00000 0.00221 -0.03469
|
|
273 13F+2 0.00000 0.02139 -0.02295 0.00000 0.00000
|
|
274 13F-2 0.00000 -0.02639 0.02176 0.00000 0.00000
|
|
275 13F+3 0.01652 0.00000 0.00000 -0.00605 0.06597
|
|
276 13F-3 0.02062 0.00000 0.00000 0.04093 0.00143
|
|
277 14F 0 0.00000 0.43752 -0.01602 0.00000 0.00000
|
|
278 14F+1 0.30256 0.00000 0.00000 -0.01335 -0.43975
|
|
279 14F-1 -0.01393 0.00000 0.00000 0.11823 0.24436
|
|
280 14F+2 0.00000 -0.38385 0.07407 0.00000 0.00000
|
|
281 14F-2 0.00000 0.50863 -0.07557 0.00000 0.00000
|
|
282 14F+3 -0.38935 0.00000 0.00000 -0.24666 -0.76947
|
|
283 14F-3 -0.26521 0.00000 0.00000 -0.91783 0.43545
|
|
284 15G 0 0.00811 0.00000 0.00000 0.00017 -0.00481
|
|
285 15G+1 0.00000 -0.02365 -0.00195 0.00000 0.00000
|
|
286 15G-1 0.00000 0.00957 0.00315 0.00000 0.00000
|
|
287 15G+2 -0.01047 0.00000 0.00000 -0.00624 -0.00358
|
|
288 15G-2 0.00243 0.00000 0.00000 -0.01631 -0.00761
|
|
289 15G+3 0.00000 0.00553 -0.00150 0.00000 0.00000
|
|
290 15G-3 0.00000 -0.02682 -0.00594 0.00000 0.00000
|
|
291 15G+4 0.01858 0.00000 0.00000 0.03466 0.02010
|
|
292 15G-4 0.00477 0.00000 0.00000 0.03904 -0.01804
|
|
293 5 H 1S -0.01390 -0.00745 0.01873 0.00890 0.00661
|
|
294 2S 0.38007 0.15530 -0.45166 -0.06640 -0.13907
|
|
295 3S -9.94850 -7.45935 0.22714 -6.10340 -4.26560
|
|
296 4S -6.07430 -4.54958 1.99838 -2.77142 -2.19248
|
|
297 5S -0.00970 0.21730 -0.54348 -0.04539 -0.21356
|
|
298 6PX 0.01172 -0.00456 -0.02198 -0.00438 -0.00202
|
|
299 6PY 0.00306 -0.01236 -0.02565 0.00986 0.01576
|
|
300 6PZ 0.01122 0.02106 -0.02444 -0.00452 0.00172
|
|
301 7PX -0.07735 -0.02358 0.14310 -0.02945 -0.00497
|
|
302 7PY -0.07026 0.04115 0.20641 -0.07934 -0.12708
|
|
303 7PZ -0.17796 -0.18636 0.19939 -0.02190 -0.06536
|
|
304 8PX 1.28247 1.85990 0.37276 1.17371 0.77824
|
|
305 8PY 1.99709 1.52370 -0.76319 0.63323 0.74121
|
|
306 8PZ 4.60679 3.13640 -0.71371 1.94463 1.53645
|
|
307 9PX 0.96969 1.02288 0.43257 0.00437 0.65107
|
|
308 9PY 0.98904 1.58782 -1.58137 -0.54076 0.54443
|
|
309 9PZ 3.36661 2.02335 -1.40913 1.48821 0.64537
|
|
310 10D 0 0.03987 -0.01820 0.00300 0.00792 0.03030
|
|
311 10D+1 0.00389 0.03308 0.06313 0.04042 0.00008
|
|
312 10D-1 0.01246 0.04538 -0.00838 0.02615 0.00542
|
|
313 10D+2 -0.04939 -0.00289 -0.02509 0.02007 0.03089
|
|
314 10D-2 0.01824 -0.02993 -0.01710 -0.01559 0.00533
|
|
315 11D 0 -0.36228 0.10046 -0.09972 -0.07143 -0.27390
|
|
316 11D+1 -0.04751 -0.28888 -0.50469 -0.42680 -0.05407
|
|
317 11D-1 -0.17588 -0.33380 -0.00028 -0.25267 -0.08085
|
|
318 11D+2 0.35116 -0.01057 0.15063 -0.18033 -0.18549
|
|
319 11D-2 -0.12906 0.15318 0.06213 0.04070 -0.06056
|
|
320 12D 0 -1.60854 -0.28238 0.71497 -0.82509 -0.03088
|
|
321 12D+1 -0.80694 -1.04907 0.37394 0.09666 -0.49727
|
|
322 12D-1 -1.20410 -0.94651 0.60661 0.56432 -0.05855
|
|
323 12D+2 0.18383 0.30082 -1.18560 -0.22978 0.14596
|
|
324 12D-2 -0.24250 -1.17380 0.18391 -0.45565 0.11751
|
|
325 13F 0 -0.01863 0.03371 0.02153 -0.04584 0.00613
|
|
326 13F+1 -0.01876 -0.00464 0.02423 0.02488 -0.01449
|
|
327 13F-1 0.00228 -0.01152 -0.02335 0.00324 0.01149
|
|
328 13F+2 0.01900 0.01834 -0.00117 -0.01071 -0.00691
|
|
329 13F-2 -0.02865 -0.03692 -0.00703 -0.00033 0.00970
|
|
330 13F+3 0.00910 0.04052 -0.02220 0.02826 -0.01519
|
|
331 13F-3 0.00304 0.00207 -0.02162 -0.00482 -0.01081
|
|
332 14F 0 0.45707 -0.48596 -0.25815 0.53595 0.02358
|
|
333 14F+1 0.40740 0.19235 -0.22636 -0.04155 0.29542
|
|
334 14F-1 0.37823 0.23997 0.12886 -0.05703 -0.03376
|
|
335 14F+2 -0.36577 -0.15000 0.27169 0.29961 0.05993
|
|
336 14F-2 0.41059 0.68790 0.00679 0.16507 -0.02830
|
|
337 14F+3 -0.16638 -0.51023 0.35959 -0.28249 0.09535
|
|
338 14F-3 -0.08389 0.12197 0.27803 0.16611 0.07496
|
|
339 15G 0 -0.00076 0.00967 0.00212 -0.01579 0.00198
|
|
340 15G+1 -0.01482 0.00277 0.01292 -0.00730 -0.00663
|
|
341 15G-1 -0.01941 0.00587 0.00156 0.00568 -0.00020
|
|
342 15G+2 0.00605 0.00038 -0.00669 -0.00928 -0.00013
|
|
343 15G-2 -0.01557 -0.01952 0.00872 -0.00032 -0.00304
|
|
344 15G+3 0.00466 0.01460 -0.02028 0.00248 0.00103
|
|
345 15G-3 -0.00263 -0.01408 -0.00579 -0.00807 0.00233
|
|
346 15G+4 -0.00137 0.01036 -0.00407 0.00738 -0.00077
|
|
347 15G-4 0.00496 -0.00297 -0.00748 -0.00495 -0.00005
|
|
348 6 H 1S -0.01390 0.00745 -0.01873 0.00890 0.00661
|
|
349 2S 0.38007 -0.15530 0.45166 -0.06640 -0.13907
|
|
350 3S -9.94850 7.45935 -0.22714 -6.10340 -4.26560
|
|
351 4S -6.07430 4.54958 -1.99838 -2.77142 -2.19248
|
|
352 5S -0.00970 -0.21730 0.54348 -0.04539 -0.21356
|
|
353 6PX 0.01172 0.00456 0.02198 -0.00438 -0.00202
|
|
354 6PY 0.00306 0.01236 0.02565 0.00986 0.01576
|
|
355 6PZ -0.01122 0.02106 -0.02444 0.00452 -0.00172
|
|
356 7PX -0.07735 0.02358 -0.14310 -0.02945 -0.00497
|
|
357 7PY -0.07026 -0.04115 -0.20641 -0.07934 -0.12708
|
|
358 7PZ 0.17796 -0.18636 0.19939 0.02190 0.06536
|
|
359 8PX 1.28247 -1.85990 -0.37276 1.17371 0.77824
|
|
360 8PY 1.99709 -1.52370 0.76319 0.63323 0.74121
|
|
361 8PZ -4.60679 3.13640 -0.71371 -1.94463 -1.53645
|
|
362 9PX 0.96969 -1.02288 -0.43257 0.00437 0.65107
|
|
363 9PY 0.98904 -1.58782 1.58137 -0.54076 0.54443
|
|
364 9PZ -3.36661 2.02335 -1.40913 -1.48821 -0.64537
|
|
365 10D 0 0.03987 0.01820 -0.00300 0.00792 0.03030
|
|
366 10D+1 -0.00389 0.03308 0.06313 -0.04042 -0.00008
|
|
367 10D-1 -0.01246 0.04538 -0.00838 -0.02615 -0.00542
|
|
368 10D+2 -0.04939 0.00289 0.02509 0.02007 0.03089
|
|
369 10D-2 0.01824 0.02993 0.01710 -0.01559 0.00533
|
|
370 11D 0 -0.36228 -0.10046 0.09972 -0.07143 -0.27390
|
|
371 11D+1 0.04751 -0.28888 -0.50469 0.42680 0.05407
|
|
372 11D-1 0.17588 -0.33380 -0.00028 0.25267 0.08085
|
|
373 11D+2 0.35116 0.01057 -0.15063 -0.18033 -0.18549
|
|
374 11D-2 -0.12906 -0.15318 -0.06213 0.04070 -0.06056
|
|
375 12D 0 -1.60854 0.28238 -0.71497 -0.82509 -0.03088
|
|
376 12D+1 0.80694 -1.04907 0.37394 -0.09666 0.49727
|
|
377 12D-1 1.20410 -0.94651 0.60661 -0.56432 0.05855
|
|
378 12D+2 0.18383 -0.30082 1.18560 -0.22978 0.14596
|
|
379 12D-2 -0.24250 1.17380 -0.18391 -0.45565 0.11751
|
|
380 13F 0 0.01863 0.03371 0.02153 0.04584 -0.00613
|
|
381 13F+1 -0.01876 0.00464 -0.02423 0.02488 -0.01449
|
|
382 13F-1 0.00228 0.01152 0.02335 0.00324 0.01149
|
|
383 13F+2 -0.01900 0.01834 -0.00117 0.01071 0.00691
|
|
384 13F-2 0.02865 -0.03692 -0.00703 0.00033 -0.00970
|
|
385 13F+3 0.00910 -0.04052 0.02220 0.02826 -0.01519
|
|
386 13F-3 0.00304 -0.00207 0.02162 -0.00482 -0.01081
|
|
387 14F 0 -0.45707 -0.48596 -0.25815 -0.53595 -0.02358
|
|
388 14F+1 0.40740 -0.19235 0.22636 -0.04155 0.29542
|
|
389 14F-1 0.37823 -0.23997 -0.12886 -0.05703 -0.03376
|
|
390 14F+2 0.36577 -0.15000 0.27169 -0.29961 -0.05993
|
|
391 14F-2 -0.41059 0.68790 0.00679 -0.16507 0.02830
|
|
392 14F+3 -0.16638 0.51023 -0.35959 -0.28249 0.09535
|
|
393 14F-3 -0.08389 -0.12197 -0.27803 0.16611 0.07496
|
|
394 15G 0 -0.00076 -0.00967 -0.00212 -0.01579 0.00198
|
|
395 15G+1 0.01482 0.00277 0.01292 0.00730 0.00663
|
|
396 15G-1 0.01941 0.00587 0.00156 -0.00568 0.00020
|
|
397 15G+2 0.00605 -0.00038 0.00669 -0.00928 -0.00013
|
|
398 15G-2 -0.01557 0.01952 -0.00872 -0.00032 -0.00304
|
|
399 15G+3 -0.00466 0.01460 -0.02028 -0.00248 -0.00103
|
|
400 15G-3 0.00263 -0.01408 -0.00579 0.00807 -0.00233
|
|
401 15G+4 -0.00137 -0.01036 0.00407 0.00738 -0.00077
|
|
402 15G-4 0.00496 0.00297 0.00748 -0.00495 -0.00005
|
|
161 162 163 164 165
|
|
V V V V V
|
|
Eigenvalues -- 5.26384 5.28269 5.32543 5.41371 5.42869
|
|
1 1 C 1S -0.01430 -0.01091 0.00000 0.00000 0.00000
|
|
2 2S 0.03142 0.04942 0.00000 0.00000 0.00000
|
|
3 3S 0.13022 0.34167 0.00000 0.00000 0.00000
|
|
4 4S -5.37714 -6.73275 0.00000 0.00000 0.00000
|
|
5 5S 19.19960 21.10744 0.00000 0.00000 0.00000
|
|
6 6S 3.10652 1.58994 0.00000 0.00000 0.00000
|
|
7 7PX 0.05925 -0.09224 0.00000 0.00000 0.00000
|
|
8 7PY -0.02075 0.00337 0.00000 0.00000 0.00000
|
|
9 7PZ 0.00000 0.00000 -0.12202 0.02561 -0.07998
|
|
10 8PX 0.06900 -0.44966 0.00000 0.00000 0.00000
|
|
11 8PY -0.32709 -0.38188 0.00000 0.00000 0.00000
|
|
12 8PZ 0.00000 0.00000 -1.15457 -1.11335 -0.79761
|
|
13 9PX 1.31789 -1.42080 0.00000 0.00000 0.00000
|
|
14 9PY 2.90636 0.89407 0.00000 0.00000 0.00000
|
|
15 9PZ 0.00000 0.00000 4.92978 10.77615 1.77550
|
|
16 10PX -1.24739 -0.40475 0.00000 0.00000 0.00000
|
|
17 10PY -1.18160 1.89124 0.00000 0.00000 0.00000
|
|
18 10PZ 0.00000 0.00000 1.20261 1.13770 3.23576
|
|
19 11PX 0.33636 -0.43035 0.00000 0.00000 0.00000
|
|
20 11PY -0.07914 0.08711 0.00000 0.00000 0.00000
|
|
21 11PZ 0.00000 0.00000 -0.21338 0.25800 -0.05619
|
|
22 12D 0 -0.02188 0.04316 0.00000 0.00000 0.00000
|
|
23 12D+1 0.00000 0.00000 0.01411 -0.00246 0.04760
|
|
24 12D-1 0.00000 0.00000 -0.01319 -0.01048 -0.02933
|
|
25 12D+2 -0.00129 -0.00550 0.00000 0.00000 0.00000
|
|
26 12D-2 0.02465 -0.02454 0.00000 0.00000 0.00000
|
|
27 13D 0 0.19004 -0.37269 0.00000 0.00000 0.00000
|
|
28 13D+1 0.00000 0.00000 0.06540 -0.00732 -0.43753
|
|
29 13D-1 0.00000 0.00000 0.36177 -0.07720 0.21378
|
|
30 13D+2 -0.04672 -0.17832 0.00000 0.00000 0.00000
|
|
31 13D-2 -0.38401 0.45690 0.00000 0.00000 0.00000
|
|
32 14D 0 0.41024 0.82072 0.00000 0.00000 0.00000
|
|
33 14D+1 0.00000 0.00000 1.14082 2.35403 0.85104
|
|
34 14D-1 0.00000 0.00000 -0.46529 2.74335 0.85077
|
|
35 14D+2 2.21940 0.35919 0.00000 0.00000 0.00000
|
|
36 14D-2 0.60148 -0.43711 0.00000 0.00000 0.00000
|
|
37 15D 0 -0.84191 0.18392 0.00000 0.00000 0.00000
|
|
38 15D+1 0.00000 0.00000 -0.67869 -1.29163 0.18060
|
|
39 15D-1 0.00000 0.00000 -0.08398 1.16858 0.46565
|
|
40 15D+2 0.45400 0.45717 0.00000 0.00000 0.00000
|
|
41 15D-2 -0.50217 0.29991 0.00000 0.00000 0.00000
|
|
42 16F 0 0.00000 0.00000 -0.02097 0.02192 0.06384
|
|
43 16F+1 -0.06964 -0.05763 0.00000 0.00000 0.00000
|
|
44 16F-1 -0.04886 -0.08129 0.00000 0.00000 0.00000
|
|
45 16F+2 0.00000 0.00000 0.00646 -0.07397 0.00704
|
|
46 16F-2 0.00000 0.00000 -0.01572 -0.00568 -0.03508
|
|
47 16F+3 0.01647 0.06284 0.00000 0.00000 0.00000
|
|
48 16F-3 -0.06879 -0.02563 0.00000 0.00000 0.00000
|
|
49 17F 0 0.00000 0.00000 0.06038 -0.23418 -0.79014
|
|
50 17F+1 1.14787 0.57513 0.00000 0.00000 0.00000
|
|
51 17F-1 0.48602 0.92336 0.00000 0.00000 0.00000
|
|
52 17F+2 0.00000 0.00000 -0.21402 0.80811 -0.26142
|
|
53 17F-2 0.00000 0.00000 0.31603 0.16631 0.29228
|
|
54 17F+3 -0.21761 -0.91096 0.00000 0.00000 0.00000
|
|
55 17F-3 0.90333 0.31625 0.00000 0.00000 0.00000
|
|
56 18F 0 0.00000 0.00000 -0.31750 0.66252 -1.05538
|
|
57 18F+1 0.98668 1.20499 0.00000 0.00000 0.00000
|
|
58 18F-1 2.24836 0.30532 0.00000 0.00000 0.00000
|
|
59 18F+2 0.00000 0.00000 -0.81705 1.10807 -0.74466
|
|
60 18F-2 0.00000 0.00000 -0.33316 1.76090 -0.74576
|
|
61 18F+3 -0.28461 -1.63987 0.00000 0.00000 0.00000
|
|
62 18F-3 0.96681 1.74152 0.00000 0.00000 0.00000
|
|
63 19G 0 0.00326 0.00153 0.00000 0.00000 0.00000
|
|
64 19G+1 0.00000 0.00000 -0.06133 0.03592 -0.01166
|
|
65 19G-1 0.00000 0.00000 -0.05209 0.03509 -0.01128
|
|
66 19G+2 0.02034 -0.07026 0.00000 0.00000 0.00000
|
|
67 19G-2 -0.00431 -0.00870 0.00000 0.00000 0.00000
|
|
68 19G+3 0.00000 0.00000 -0.00517 -0.00352 0.00410
|
|
69 19G-3 0.00000 0.00000 0.00192 0.00808 -0.05787
|
|
70 19G+4 -0.06930 0.00246 0.00000 0.00000 0.00000
|
|
71 19G-4 -0.02247 -0.03406 0.00000 0.00000 0.00000
|
|
72 20G 0 -0.27801 0.30020 0.00000 0.00000 0.00000
|
|
73 20G+1 0.00000 0.00000 0.81079 0.79315 -0.15323
|
|
74 20G-1 0.00000 0.00000 0.80286 -0.36104 -0.50474
|
|
75 20G+2 0.17724 0.09246 0.00000 0.00000 0.00000
|
|
76 20G-2 0.92306 0.71371 0.00000 0.00000 0.00000
|
|
77 20G+3 0.00000 0.00000 0.18995 -0.21543 -0.42017
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335 14F+2 -0.10997 0.34754 -0.04070 -0.13285 0.11146
|
|
336 14F-2 -0.14060 -0.20676 -0.14770 0.30281 -0.18941
|
|
337 14F+3 0.23207 0.08252 0.13267 -0.41786 -0.09831
|
|
338 14F-3 0.09178 0.04628 -0.42278 0.21817 -0.14015
|
|
339 15G 0 0.00064 -0.00068 0.00952 -0.00538 -0.01829
|
|
340 15G+1 0.00628 0.00455 -0.00358 -0.00002 -0.00845
|
|
341 15G-1 -0.01594 0.01237 -0.00305 -0.00089 -0.00053
|
|
342 15G+2 0.01127 -0.00917 -0.00082 0.00842 -0.00384
|
|
343 15G-2 0.00159 0.00700 -0.00219 -0.00679 0.00669
|
|
344 15G+3 -0.00281 -0.00732 -0.00209 0.00995 -0.00268
|
|
345 15G-3 0.00777 -0.00748 0.00231 -0.00584 0.00415
|
|
346 15G+4 -0.00258 -0.00030 -0.00158 0.00384 -0.00067
|
|
347 15G-4 0.00043 -0.00163 -0.00112 -0.00168 -0.00135
|
|
348 6 H 1S 0.02397 0.02895 -0.00549 0.01304 -0.00972
|
|
349 2S -0.57034 -0.30570 0.17839 0.11090 -0.02260
|
|
350 3S -5.22121 -4.48849 1.61630 6.33124 1.31465
|
|
351 4S -1.14548 -2.04889 1.41916 1.26517 1.87360
|
|
352 5S -0.26947 0.28577 -0.27531 0.36163 -0.29803
|
|
353 6PX 0.01118 -0.00655 -0.02157 0.01107 -0.01135
|
|
354 6PY -0.00189 0.00190 -0.00860 -0.00409 0.01892
|
|
355 6PZ 0.00047 -0.02420 0.01698 -0.00904 0.01541
|
|
356 7PX -0.08929 0.00575 0.17704 -0.08266 0.03913
|
|
357 7PY -0.02445 -0.04172 0.08835 0.07696 -0.16376
|
|
358 7PZ 0.07475 0.20055 -0.10113 0.00982 -0.14068
|
|
359 8PX 0.75294 0.89239 -1.19467 -0.91336 0.25139
|
|
360 8PY 0.96202 0.54459 -0.87627 -1.80467 0.48655
|
|
361 8PZ -2.05262 -1.30130 0.61699 2.73753 1.13321
|
|
362 9PX -0.17497 0.51592 -0.69507 -0.96674 -0.33191
|
|
363 9PY 0.57691 -0.42030 -0.08743 -0.33302 0.37490
|
|
364 9PZ -0.45940 -0.40110 0.80313 1.18390 0.48871
|
|
365 10D 0 0.04404 -0.03625 0.05621 -0.01159 -0.02237
|
|
366 10D+1 -0.04049 -0.01662 -0.00595 0.05463 -0.05613
|
|
367 10D-1 0.02237 -0.02949 -0.00171 0.00409 -0.01076
|
|
368 10D+2 -0.06142 -0.00115 0.03661 0.08399 0.03286
|
|
369 10D-2 0.02631 -0.01178 0.01901 -0.00264 -0.04211
|
|
370 11D 0 -0.44044 0.18903 -0.43406 0.16390 0.23640
|
|
371 11D+1 0.37874 0.23887 0.00669 -0.42647 0.37296
|
|
372 11D-1 -0.03281 0.35619 -0.04380 -0.10876 -0.01134
|
|
373 11D+2 0.40991 0.02466 -0.24049 -0.55731 -0.26974
|
|
374 11D-2 -0.22054 -0.00840 -0.06062 0.04989 0.28847
|
|
375 12D 0 0.06332 0.05839 0.07804 0.61911 0.48041
|
|
376 12D+1 -0.59600 -0.05054 -0.62723 -0.07568 -0.18047
|
|
377 12D-1 0.93326 -1.07902 -0.31166 -0.77127 0.63687
|
|
378 12D+2 -0.44653 -0.34976 0.09390 0.22425 0.11154
|
|
379 12D-2 0.48123 -0.17947 -0.01276 0.95799 -0.60217
|
|
380 13F 0 -0.02374 0.01874 -0.00080 -0.00229 -0.00079
|
|
381 13F+1 0.03604 0.01341 0.00675 -0.01780 -0.00039
|
|
382 13F-1 -0.02665 0.05560 -0.00871 -0.00815 -0.04389
|
|
383 13F+2 0.00045 0.02431 0.00228 -0.00454 -0.01582
|
|
384 13F-2 -0.01777 -0.03423 0.02576 -0.01021 0.00813
|
|
385 13F+3 -0.01927 -0.00931 0.01452 -0.02892 -0.00907
|
|
386 13F-3 -0.01454 0.00125 -0.04268 0.01776 -0.01040
|
|
387 14F 0 0.10813 -0.07715 -0.25375 0.11546 0.38358
|
|
388 14F+1 -0.28308 -0.06964 -0.09792 0.11268 -0.03970
|
|
389 14F-1 0.54343 -0.58083 0.04234 -0.09233 0.42800
|
|
390 14F+2 0.10997 -0.34754 -0.04070 -0.13285 0.11146
|
|
391 14F-2 0.14060 0.20676 -0.14770 0.30281 -0.18941
|
|
392 14F+3 0.23207 0.08252 -0.13267 0.41786 0.09831
|
|
393 14F-3 0.09178 0.04628 0.42278 -0.21817 0.14015
|
|
394 15G 0 0.00064 -0.00068 -0.00952 0.00538 0.01829
|
|
395 15G+1 -0.00628 -0.00455 -0.00358 -0.00002 -0.00845
|
|
396 15G-1 0.01594 -0.01237 -0.00305 -0.00089 -0.00053
|
|
397 15G+2 0.01127 -0.00917 0.00082 -0.00842 0.00384
|
|
398 15G-2 0.00159 0.00700 0.00219 0.00679 -0.00669
|
|
399 15G+3 0.00281 0.00732 -0.00209 0.00995 -0.00268
|
|
400 15G-3 -0.00777 0.00748 0.00231 -0.00584 0.00415
|
|
401 15G+4 -0.00258 -0.00030 0.00158 -0.00384 0.00067
|
|
402 15G-4 0.00043 -0.00163 0.00112 0.00168 0.00135
|
|
166 167 168 169 170
|
|
V V V V V
|
|
Eigenvalues -- 5.43380 5.48182 5.49805 5.51413 5.56372
|
|
1 1 C 1S -0.00577 0.00220 -0.00462 0.00000 0.02104
|
|
2 2S 0.04089 -0.06226 0.05412 0.00000 -0.07359
|
|
3 3S 0.21703 -0.44116 0.35504 0.00000 -0.07992
|
|
4 4S -0.66410 3.18415 -3.45410 0.00000 0.46153
|
|
5 5S -4.07879 -1.99399 6.71789 0.00000 0.12150
|
|
6 6S -3.38871 0.76264 1.07295 0.00000 0.26673
|
|
7 7PX 0.10428 -0.06115 0.04517 0.00000 0.08388
|
|
8 7PY 0.02791 -0.01086 0.00138 0.00000 -0.09737
|
|
9 7PZ 0.00000 0.00000 0.00000 0.09911 0.00000
|
|
10 8PX 0.91496 -0.32749 -0.32841 0.00000 0.67549
|
|
11 8PY -0.32766 0.18650 0.14710 0.00000 -0.33934
|
|
12 8PZ 0.00000 0.00000 0.00000 0.18742 0.00000
|
|
13 9PX -3.37843 0.81048 4.63992 0.00000 -3.09607
|
|
14 9PY 0.31966 -2.00779 -0.62804 0.00000 0.25117
|
|
15 9PZ 0.00000 0.00000 0.00000 2.29273 0.00000
|
|
16 10PX -3.38787 0.71391 7.57084 0.00000 -0.77006
|
|
17 10PY 5.92945 2.71903 -0.76604 0.00000 -1.93501
|
|
18 10PZ 0.00000 0.00000 0.00000 4.00054 0.00000
|
|
19 11PX -0.01195 -0.13186 0.46075 0.00000 0.26295
|
|
20 11PY 0.46679 0.23576 -0.09465 0.00000 -0.20644
|
|
21 11PZ 0.00000 0.00000 0.00000 0.33639 0.00000
|
|
22 12D 0 0.04830 -0.01359 0.01137 0.00000 0.01174
|
|
23 12D+1 0.00000 0.00000 0.00000 0.05752 0.00000
|
|
24 12D-1 0.00000 0.00000 0.00000 -0.07285 0.00000
|
|
25 12D+2 0.05236 -0.02395 -0.00109 0.00000 -0.03412
|
|
26 12D-2 -0.00774 0.01393 -0.02269 0.00000 -0.02646
|
|
27 13D 0 -0.71542 0.16172 -0.48584 0.00000 0.04865
|
|
28 13D+1 0.00000 0.00000 0.00000 -0.88718 0.00000
|
|
29 13D-1 0.00000 0.00000 0.00000 0.75531 0.00000
|
|
30 13D+2 -0.77447 0.23796 0.17812 0.00000 0.75406
|
|
31 13D-2 -0.01964 -0.08813 0.14829 0.00000 0.39323
|
|
32 14D 0 -1.09780 1.02709 2.13809 0.00000 -1.21310
|
|
33 14D+1 0.00000 0.00000 0.00000 0.56363 0.00000
|
|
34 14D-1 0.00000 0.00000 0.00000 -1.59537 0.00000
|
|
35 14D+2 2.60409 -0.84063 -2.11136 0.00000 1.51545
|
|
36 14D-2 0.53436 0.50083 -0.16562 0.00000 -0.19008
|
|
37 15D 0 0.61501 1.10426 1.77622 0.00000 -0.60875
|
|
38 15D+1 0.00000 0.00000 0.00000 0.73537 0.00000
|
|
39 15D-1 0.00000 0.00000 0.00000 0.14527 0.00000
|
|
40 15D+2 1.74250 1.07797 -1.41170 0.00000 -0.51721
|
|
41 15D-2 1.56246 -0.12043 -0.13697 0.00000 0.26704
|
|
42 16F 0 0.00000 0.00000 0.00000 -0.03114 0.00000
|
|
43 16F+1 0.00337 0.07161 -0.03378 0.00000 -0.02498
|
|
44 16F-1 0.03577 -0.01649 0.00323 0.00000 0.06770
|
|
45 16F+2 0.00000 0.00000 0.00000 -0.01536 0.00000
|
|
46 16F-2 0.00000 0.00000 0.00000 0.07229 0.00000
|
|
47 16F+3 -0.00839 -0.03747 0.00652 0.00000 -0.03151
|
|
48 16F-3 -0.03009 0.00412 -0.07679 0.00000 0.02212
|
|
49 17F 0 0.00000 0.00000 0.00000 0.35096 0.00000
|
|
50 17F+1 -0.50167 -0.43396 0.29019 0.00000 0.50370
|
|
51 17F-1 -0.50698 0.27800 -0.01183 0.00000 -0.78311
|
|
52 17F+2 0.00000 0.00000 0.00000 0.21796 0.00000
|
|
53 17F-2 0.00000 0.00000 0.00000 -0.75807 0.00000
|
|
54 17F+3 0.15632 0.30686 0.20618 0.00000 0.22490
|
|
55 17F-3 0.36248 -0.10859 0.64617 0.00000 -0.14093
|
|
56 18F 0 0.00000 0.00000 0.00000 -0.53402 0.00000
|
|
57 18F+1 -0.02877 -1.91465 -0.18475 0.00000 -0.69383
|
|
58 18F-1 0.22510 0.11078 0.96616 0.00000 0.25723
|
|
59 18F+2 0.00000 0.00000 0.00000 -1.21348 0.00000
|
|
60 18F-2 0.00000 0.00000 0.00000 0.71855 0.00000
|
|
61 18F+3 1.33113 0.06178 -2.37786 0.00000 0.27241
|
|
62 18F-3 -0.08881 0.68521 -0.26130 0.00000 0.11417
|
|
63 19G 0 -0.03168 0.03111 -0.03624 0.00000 0.00572
|
|
64 19G+1 0.00000 0.00000 0.00000 0.06336 0.00000
|
|
65 19G-1 0.00000 0.00000 0.00000 0.03611 0.00000
|
|
66 19G+2 -0.01176 0.03324 0.05224 0.00000 0.03572
|
|
67 19G-2 0.04941 -0.03092 0.03083 0.00000 -0.02080
|
|
68 19G+3 0.00000 0.00000 0.00000 -0.04406 0.00000
|
|
69 19G-3 0.00000 0.00000 0.00000 0.03479 0.00000
|
|
70 19G+4 -0.00954 0.05151 -0.04797 0.00000 0.01541
|
|
71 19G-4 0.02863 0.01987 0.01461 0.00000 0.05479
|
|
72 20G 0 -0.01777 -0.08460 0.15350 0.00000 -0.20284
|
|
73 20G+1 0.00000 0.00000 0.00000 0.25829 0.00000
|
|
74 20G-1 0.00000 0.00000 0.00000 -0.03606 0.00000
|
|
75 20G+2 0.23002 -0.34218 0.10821 0.00000 0.01782
|
|
76 20G-2 -0.46747 -0.03378 0.06039 0.00000 -0.20201
|
|
77 20G+3 0.00000 0.00000 0.00000 0.46854 0.00000
|
|
78 20G-3 0.00000 0.00000 0.00000 -0.49912 0.00000
|
|
79 20G+4 -0.14044 -0.42504 0.22416 0.00000 0.00033
|
|
80 20G-4 -0.40551 -0.17386 -0.08689 0.00000 -0.54489
|
|
81 21H 0 0.00000 0.00000 0.00000 -0.03335 0.00000
|
|
82 21H+1 -0.00861 0.01944 0.11610 0.00000 -0.00023
|
|
83 21H-1 0.03798 0.03790 -0.02494 0.00000 -0.02424
|
|
84 21H+2 0.00000 0.00000 0.00000 0.09218 0.00000
|
|
85 21H-2 0.00000 0.00000 0.00000 0.02689 0.00000
|
|
86 21H+3 0.01353 -0.00957 -0.04015 0.00000 0.00097
|
|
87 21H-3 0.07812 0.01421 0.01921 0.00000 -0.00568
|
|
88 21H+4 0.00000 0.00000 0.00000 0.03762 0.00000
|
|
89 21H-4 0.00000 0.00000 0.00000 -0.00947 0.00000
|
|
90 21H+5 -0.05287 -0.01259 0.04124 0.00000 -0.01524
|
|
91 21H-5 0.05653 0.03443 -0.00758 0.00000 -0.01279
|
|
92 2 O 1S -0.00340 -0.00255 -0.01266 0.00000 0.00264
|
|
93 2S 0.02177 0.00363 -0.00703 0.00000 0.02428
|
|
94 3S 0.08418 0.00364 -0.20867 0.00000 0.17055
|
|
95 4S -0.43004 -0.03914 1.14945 0.00000 -0.41924
|
|
96 5S 0.43210 0.20794 -0.13591 0.00000 -4.33940
|
|
97 6S 1.38508 1.45744 -1.49832 0.00000 -4.08263
|
|
98 7PX 0.00097 0.00332 -0.01477 0.00000 0.03733
|
|
99 7PY 0.04051 0.00812 -0.00424 0.00000 -0.01612
|
|
100 7PZ 0.00000 0.00000 0.00000 0.01140 0.00000
|
|
101 8PX 0.10776 -0.00842 -0.10890 0.00000 0.28145
|
|
102 8PY 0.12328 -0.12716 -0.01981 0.00000 0.10711
|
|
103 8PZ 0.00000 0.00000 0.00000 0.03459 0.00000
|
|
104 9PX -0.75236 -0.18463 1.12712 0.00000 -1.87812
|
|
105 9PY -0.07443 0.85520 -0.04754 0.00000 -0.52841
|
|
106 9PZ 0.00000 0.00000 0.00000 0.08451 0.00000
|
|
107 10PX 0.41671 -0.09325 -2.17158 0.00000 -1.82891
|
|
108 10PY 2.26185 0.47722 -1.99291 0.00000 0.45894
|
|
109 10PZ 0.00000 0.00000 0.00000 -2.00790 0.00000
|
|
110 11PX -0.45539 0.09233 -0.20125 0.00000 -0.73122
|
|
111 11PY 0.51733 0.14713 -0.43657 0.00000 0.34346
|
|
112 11PZ 0.00000 0.00000 0.00000 -0.20395 0.00000
|
|
113 12D 0 -0.00438 -0.00503 0.00914 0.00000 -0.01632
|
|
114 12D+1 0.00000 0.00000 0.00000 -0.00089 0.00000
|
|
115 12D-1 0.00000 0.00000 0.00000 0.00474 0.00000
|
|
116 12D+2 -0.01738 0.00368 0.01009 0.00000 -0.01212
|
|
117 12D-2 0.00736 0.00395 0.00561 0.00000 -0.00609
|
|
118 13D 0 0.04261 0.02892 -0.04817 0.00000 0.06390
|
|
119 13D+1 0.00000 0.00000 0.00000 0.01118 0.00000
|
|
120 13D-1 0.00000 0.00000 0.00000 -0.04553 0.00000
|
|
121 13D+2 0.10118 -0.00102 -0.01340 0.00000 -0.01389
|
|
122 13D-2 0.01280 -0.01177 -0.05466 0.00000 0.08770
|
|
123 14D 0 -0.11982 -0.12900 0.12760 0.00000 -0.09930
|
|
124 14D+1 0.00000 0.00000 0.00000 -0.11898 0.00000
|
|
125 14D-1 0.00000 0.00000 0.00000 0.16231 0.00000
|
|
126 14D+2 -0.84952 0.00188 0.73905 0.00000 -1.14027
|
|
127 14D-2 0.08895 0.42266 0.14470 0.00000 -0.35737
|
|
128 15D 0 0.49850 0.35628 0.31799 0.00000 -0.03041
|
|
129 15D+1 0.00000 0.00000 0.00000 0.17495 0.00000
|
|
130 15D-1 0.00000 0.00000 0.00000 -1.22793 0.00000
|
|
131 15D+2 -0.53966 0.74973 0.58812 0.00000 -1.43327
|
|
132 15D-2 1.46237 0.63242 -1.49263 0.00000 0.51961
|
|
133 16F 0 0.00000 0.00000 0.00000 -0.00110 0.00000
|
|
134 16F+1 -0.00765 0.00228 0.00006 0.00000 -0.00446
|
|
135 16F-1 0.01906 0.00175 -0.01051 0.00000 -0.02108
|
|
136 16F+2 0.00000 0.00000 0.00000 0.00248 0.00000
|
|
137 16F-2 0.00000 0.00000 0.00000 -0.00135 0.00000
|
|
138 16F+3 -0.00568 -0.00700 0.00662 0.00000 0.00591
|
|
139 16F-3 0.02167 0.00014 -0.00304 0.00000 0.01441
|
|
140 17F 0 0.00000 0.00000 0.00000 0.01524 0.00000
|
|
141 17F+1 0.05740 0.00444 -0.03674 0.00000 0.09393
|
|
142 17F-1 -0.11903 -0.01031 0.08021 0.00000 0.14104
|
|
143 17F+2 0.00000 0.00000 0.00000 -0.00838 0.00000
|
|
144 17F-2 0.00000 0.00000 0.00000 0.00688 0.00000
|
|
145 17F+3 0.06140 0.04455 -0.02423 0.00000 -0.07327
|
|
146 17F-3 -0.11989 0.02037 -0.04383 0.00000 -0.03025
|
|
147 18F 0 0.00000 0.00000 0.00000 0.32174 0.00000
|
|
148 18F+1 -0.22664 -0.00422 0.08952 0.00000 -0.16773
|
|
149 18F-1 0.40680 0.12678 0.03669 0.00000 -0.07014
|
|
150 18F+2 0.00000 0.00000 0.00000 0.43391 0.00000
|
|
151 18F-2 0.00000 0.00000 0.00000 0.41951 0.00000
|
|
152 18F+3 -0.99868 -0.23061 0.74972 0.00000 -1.19833
|
|
153 18F-3 0.05954 0.55634 0.31166 0.00000 -0.26983
|
|
154 19G 0 0.00264 -0.00409 -0.00095 0.00000 0.00864
|
|
155 19G+1 0.00000 0.00000 0.00000 0.00043 0.00000
|
|
156 19G-1 0.00000 0.00000 0.00000 -0.00650 0.00000
|
|
157 19G+2 -0.01164 0.00450 0.00749 0.00000 0.00184
|
|
158 19G-2 -0.01403 0.00632 -0.00581 0.00000 -0.00923
|
|
159 19G+3 0.00000 0.00000 0.00000 0.00148 0.00000
|
|
160 19G-3 0.00000 0.00000 0.00000 -0.00144 0.00000
|
|
161 19G+4 -0.00539 0.00499 0.00661 0.00000 -0.00240
|
|
162 19G-4 0.01119 -0.00195 -0.00612 0.00000 0.01024
|
|
163 20G 0 -0.00135 0.03980 -0.00553 0.00000 -0.07555
|
|
164 20G+1 0.00000 0.00000 0.00000 0.01398 0.00000
|
|
165 20G-1 0.00000 0.00000 0.00000 0.04344 0.00000
|
|
166 20G+2 0.14443 -0.03780 -0.08747 0.00000 -0.00646
|
|
167 20G-2 0.11437 -0.06552 0.04116 0.00000 0.12779
|
|
168 20G+3 0.00000 0.00000 0.00000 -0.02308 0.00000
|
|
169 20G-3 0.00000 0.00000 0.00000 0.02610 0.00000
|
|
170 20G+4 0.05555 0.00432 -0.03067 0.00000 -0.11927
|
|
171 20G-4 -0.09341 0.04001 0.05198 0.00000 -0.12230
|
|
172 21H 0 0.00000 0.00000 0.00000 -0.00387 0.00000
|
|
173 21H+1 0.00271 0.00456 -0.00555 0.00000 0.01226
|
|
174 21H-1 -0.00239 -0.00085 0.00185 0.00000 -0.00407
|
|
175 21H+2 0.00000 0.00000 0.00000 -0.00446 0.00000
|
|
176 21H-2 0.00000 0.00000 0.00000 -0.00704 0.00000
|
|
177 21H+3 0.00412 0.00136 -0.00167 0.00000 0.00248
|
|
178 21H-3 0.00451 0.00094 -0.00940 0.00000 0.01549
|
|
179 21H+4 0.00000 0.00000 0.00000 -0.00018 0.00000
|
|
180 21H-4 0.00000 0.00000 0.00000 0.00127 0.00000
|
|
181 21H+5 0.00215 0.00379 0.00490 0.00000 -0.01297
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182 21H-5 0.00630 0.00112 0.00101 0.00000 -0.00481
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183 3 H 1S 0.00127 -0.00766 0.01297 0.00000 -0.00264
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184 2S 0.27827 0.07675 -0.61111 0.00000 0.08629
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185 3S -2.61471 2.51683 3.81967 0.00000 -1.93489
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186 4S -2.37698 -0.39702 5.63228 0.00000 -1.88027
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187 5S 0.34239 -0.23276 -0.12555 0.00000 0.25987
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188 6PX -0.00741 0.01667 0.00701 0.00000 -0.04687
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189 6PY -0.00167 0.01185 0.02463 0.00000 0.00636
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190 6PZ 0.00000 0.00000 0.00000 0.01279 0.00000
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191 7PX 0.04319 -0.14653 -0.08406 0.00000 0.37303
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192 7PY 0.01807 -0.05733 -0.15321 0.00000 -0.04546
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193 7PZ 0.00000 0.00000 0.00000 -0.10491 0.00000
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194 8PX -1.13840 0.97939 1.60551 0.00000 -1.69996
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195 8PY 0.11860 -0.66281 -0.07598 0.00000 0.45624
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196 8PZ 0.00000 0.00000 0.00000 0.55180 0.00000
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197 9PX -0.90262 -0.20291 1.51068 0.00000 -1.15811
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198 9PY 0.09571 -0.19457 -1.26296 0.00000 1.07121
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199 9PZ 0.00000 0.00000 0.00000 -0.77015 0.00000
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200 10D 0 0.00034 -0.12553 -0.07417 0.00000 0.02865
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201 10D+1 0.00000 0.00000 0.00000 -0.05145 0.00000
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202 10D-1 0.00000 0.00000 0.00000 -0.01009 0.00000
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203 10D+2 -0.03223 -0.04547 -0.06231 0.00000 -0.03338
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204 10D-2 -0.00554 0.05396 0.05021 0.00000 0.02235
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205 11D 0 0.06088 0.79487 0.47167 0.00000 -0.22035
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206 11D+1 0.00000 0.00000 0.00000 0.48894 0.00000
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207 11D-1 0.00000 0.00000 0.00000 0.03721 0.00000
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208 11D+2 0.17574 0.35488 0.45816 0.00000 0.18312
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209 11D-2 0.12835 -0.47076 -0.36298 0.00000 -0.22507
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210 12D 0 -0.50126 -1.26789 -1.39647 0.00000 0.21338
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211 12D+1 0.00000 0.00000 0.00000 -1.05420 0.00000
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212 12D-1 0.00000 0.00000 0.00000 0.19497 0.00000
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213 12D+2 -0.36699 -0.82968 -0.71750 0.00000 -0.43872
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214 12D-2 -0.20188 0.67354 -0.50539 0.00000 1.04871
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|
215 13F 0 0.00000 0.00000 0.00000 -0.08968 0.00000
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|
216 13F+1 0.04805 0.02056 0.05061 0.00000 0.03354
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|
217 13F-1 -0.01442 0.00547 -0.00405 0.00000 0.01501
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218 13F+2 0.00000 0.00000 0.00000 0.05296 0.00000
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219 13F-2 0.00000 0.00000 0.00000 -0.03635 0.00000
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220 13F+3 0.00421 0.01865 0.05563 0.00000 -0.05152
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|
221 13F-3 0.01852 -0.06811 0.00824 0.00000 -0.03112
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222 14F 0 0.00000 0.00000 0.00000 0.84747 0.00000
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223 14F+1 -0.58376 -0.25341 -0.69033 0.00000 -0.30949
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|
224 14F-1 0.15915 -0.01026 0.16408 0.00000 -0.14359
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225 14F+2 0.00000 0.00000 0.00000 -0.48331 0.00000
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|
226 14F-2 0.00000 0.00000 0.00000 0.28413 0.00000
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|
227 14F+3 -0.05709 -0.24577 -0.70399 0.00000 0.39202
|
|
228 14F-3 -0.09278 0.67291 -0.28554 0.00000 0.38318
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|
229 15G 0 0.01405 -0.00410 0.01057 0.00000 -0.00409
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|
230 15G+1 0.00000 0.00000 0.00000 0.00566 0.00000
|
|
231 15G-1 0.00000 0.00000 0.00000 0.00147 0.00000
|
|
232 15G+2 -0.01266 -0.00340 0.00264 0.00000 0.00448
|
|
233 15G-2 0.00453 0.00107 0.01845 0.00000 -0.00188
|
|
234 15G+3 0.00000 0.00000 0.00000 -0.00762 0.00000
|
|
235 15G-3 0.00000 0.00000 0.00000 0.00262 0.00000
|
|
236 15G+4 -0.00487 -0.00308 -0.01820 0.00000 -0.00363
|
|
237 15G-4 0.00269 0.01478 -0.00198 0.00000 0.00678
|
|
238 4 H 1S -0.00234 -0.00793 0.00369 0.00000 0.01220
|
|
239 2S -0.17229 0.11030 0.13388 0.00000 -0.28203
|
|
240 3S 1.78090 0.80221 -0.57794 0.00000 3.40853
|
|
241 4S 4.20941 -0.35209 -2.15140 0.00000 4.73175
|
|
242 5S 0.09581 0.00571 -0.02972 0.00000 -0.21686
|
|
243 6PX -0.01120 -0.00827 0.03660 0.00000 -0.04315
|
|
244 6PY -0.02824 0.00431 0.00976 0.00000 0.04384
|
|
245 6PZ 0.00000 0.00000 0.00000 0.00399 0.00000
|
|
246 7PX 0.10636 0.08999 -0.34915 0.00000 0.44738
|
|
247 7PY 0.18593 -0.01700 -0.03392 0.00000 -0.45658
|
|
248 7PZ 0.00000 0.00000 0.00000 -0.03644 0.00000
|
|
249 8PX -0.74417 -0.66526 0.87307 0.00000 -1.93088
|
|
250 8PY 0.48893 -0.29510 -0.53327 0.00000 2.19732
|
|
251 8PZ 0.00000 0.00000 0.00000 0.22941 0.00000
|
|
252 9PX -1.59184 0.00443 0.99014 0.00000 -2.34396
|
|
253 9PY 1.75290 -0.64276 -1.04037 0.00000 1.42542
|
|
254 9PZ 0.00000 0.00000 0.00000 0.05404 0.00000
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255 10D 0 -0.08046 0.01311 0.05134 0.00000 -0.05237
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256 10D+1 0.00000 0.00000 0.00000 0.01472 0.00000
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257 10D-1 0.00000 0.00000 0.00000 0.03466 0.00000
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258 10D+2 -0.03452 0.00014 0.02378 0.00000 -0.02462
|
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259 10D-2 0.03088 0.01454 -0.04641 0.00000 0.04929
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|
260 11D 0 0.52452 -0.10125 -0.35611 0.00000 0.39594
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261 11D+1 0.00000 0.00000 0.00000 -0.10552 0.00000
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|
262 11D-1 0.00000 0.00000 0.00000 -0.24081 0.00000
|
|
263 11D+2 0.19055 0.00356 -0.13473 0.00000 0.07011
|
|
264 11D-2 -0.26489 -0.11657 0.31417 0.00000 -0.34475
|
|
265 12D 0 -0.65970 0.18045 0.73053 0.00000 -0.73062
|
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266 12D+1 0.00000 0.00000 0.00000 -0.22949 0.00000
|
|
267 12D-1 0.00000 0.00000 0.00000 0.05237 0.00000
|
|
268 12D+2 -0.24594 0.61622 0.01630 0.00000 0.34152
|
|
269 12D-2 -0.72240 0.58530 0.65339 0.00000 -1.89656
|
|
270 13F 0 0.00000 0.00000 0.00000 0.00193 0.00000
|
|
271 13F+1 0.00884 0.00732 -0.00220 0.00000 0.01899
|
|
272 13F-1 0.02090 -0.01593 -0.00721 0.00000 -0.00775
|
|
273 13F+2 0.00000 0.00000 0.00000 -0.01242 0.00000
|
|
274 13F-2 0.00000 0.00000 0.00000 -0.01564 0.00000
|
|
275 13F+3 -0.00424 0.02350 0.00431 0.00000 0.00939
|
|
276 13F-3 -0.00111 -0.00121 0.00906 0.00000 -0.02611
|
|
277 14F 0 0.00000 0.00000 0.00000 -0.06333 0.00000
|
|
278 14F+1 -0.05396 -0.05190 -0.15797 0.00000 -0.01447
|
|
279 14F-1 -0.27799 0.24264 0.17007 0.00000 -0.14444
|
|
280 14F+2 0.00000 0.00000 0.00000 0.24106 0.00000
|
|
281 14F-2 0.00000 0.00000 0.00000 0.11778 0.00000
|
|
282 14F+3 0.19130 -0.45886 -0.05593 0.00000 0.28340
|
|
283 14F-3 0.21643 -0.00093 -0.29672 0.00000 0.90406
|
|
284 15G 0 0.00193 0.00057 -0.01071 0.00000 0.00800
|
|
285 15G+1 0.00000 0.00000 0.00000 0.00430 0.00000
|
|
286 15G-1 0.00000 0.00000 0.00000 -0.00426 0.00000
|
|
287 15G+2 -0.00102 -0.00006 0.00691 0.00000 -0.00235
|
|
288 15G-2 0.00297 -0.00657 -0.00902 0.00000 0.01803
|
|
289 15G+3 0.00000 0.00000 0.00000 -0.00462 0.00000
|
|
290 15G-3 0.00000 0.00000 0.00000 0.00278 0.00000
|
|
291 15G+4 -0.01338 0.01720 0.00320 0.00000 -0.03375
|
|
292 15G-4 -0.00496 -0.00082 0.00750 0.00000 -0.02797
|
|
293 5 H 1S 0.00001 -0.00394 0.00365 -0.00986 -0.00061
|
|
294 2S 0.06989 0.19420 0.22636 0.35147 0.02234
|
|
295 3S 1.04635 0.60230 -3.93389 -1.41821 1.74651
|
|
296 4S 1.94390 -1.89340 -2.66948 -2.00310 0.21483
|
|
297 5S -0.03435 0.07015 0.04752 -0.08656 -0.04580
|
|
298 6PX -0.01662 0.00099 0.02234 0.00219 0.01689
|
|
299 6PY -0.00536 0.01843 -0.01724 -0.02130 -0.00879
|
|
300 6PZ -0.03100 0.00683 -0.00856 -0.00576 0.02195
|
|
301 7PX 0.16060 -0.02113 -0.18574 -0.02980 -0.10816
|
|
302 7PY 0.03346 -0.11141 0.09783 0.11165 0.05671
|
|
303 7PZ 0.25655 -0.04119 0.03954 0.04797 -0.16139
|
|
304 8PX -0.90395 0.30684 1.04085 0.25359 -0.35285
|
|
305 8PY -0.30240 -0.31512 0.35888 0.33353 -0.30312
|
|
306 8PZ -0.99777 0.01484 0.83966 -0.08850 -0.33106
|
|
307 9PX -0.69582 0.59773 -0.02300 0.60604 -0.59610
|
|
308 9PY -1.51801 0.38528 0.47393 0.45791 0.45960
|
|
309 9PZ -0.52887 0.40792 0.49570 0.06049 0.09820
|
|
310 10D 0 -0.00569 -0.02076 -0.01517 0.00565 -0.01943
|
|
311 10D+1 0.03509 0.05814 0.01662 -0.00737 -0.00869
|
|
312 10D-1 0.01043 -0.05337 0.06340 0.06729 -0.01578
|
|
313 10D+2 -0.06087 -0.06706 0.04173 0.00278 -0.00079
|
|
314 10D-2 0.01411 -0.06237 -0.02780 0.01175 -0.00358
|
|
315 11D 0 0.08878 0.13854 0.09742 -0.03540 0.17641
|
|
316 11D+1 -0.24683 -0.37994 -0.21514 0.09740 0.08290
|
|
317 11D-1 -0.13340 0.42610 -0.50964 -0.50229 0.19284
|
|
318 11D+2 0.44617 0.43722 -0.28894 0.04287 -0.03930
|
|
319 11D-2 -0.12600 0.45469 0.12106 -0.08969 0.05635
|
|
320 12D 0 -0.34617 -0.10927 -0.18367 0.85478 -0.17252
|
|
321 12D+1 1.01842 0.34373 0.31012 -0.58600 0.37029
|
|
322 12D-1 0.45784 -0.56334 0.52748 0.13090 -0.60325
|
|
323 12D+2 -0.74335 -0.99115 0.89854 0.43167 0.53994
|
|
324 12D-2 0.65329 -0.94917 -0.37595 -0.13157 0.17612
|
|
325 13F 0 -0.04688 0.00401 -0.04023 0.04243 -0.00028
|
|
326 13F+1 -0.00640 0.03659 -0.00334 -0.04665 0.00722
|
|
327 13F-1 -0.01671 -0.02404 0.02252 0.02303 -0.02130
|
|
328 13F+2 -0.02569 0.00028 0.05466 -0.02271 0.04620
|
|
329 13F-2 0.02709 -0.03485 0.01858 0.00571 0.00421
|
|
330 13F+3 -0.03331 0.00151 0.02133 0.01760 0.00249
|
|
331 13F-3 -0.01413 -0.02615 0.00971 0.00161 0.01671
|
|
332 14F 0 0.48783 -0.05778 0.32846 -0.70651 -0.00188
|
|
333 14F+1 -0.10699 -0.36235 0.07198 0.43555 -0.07505
|
|
334 14F-1 0.19001 0.21894 -0.23347 -0.14009 0.20722
|
|
335 14F+2 0.13243 0.08862 -0.62560 0.04006 -0.56089
|
|
336 14F-2 -0.33267 0.40008 -0.03091 0.06169 -0.09230
|
|
337 14F+3 0.31766 -0.00585 -0.30409 -0.29167 -0.03804
|
|
338 14F-3 0.10496 0.33713 -0.05419 -0.08407 -0.23800
|
|
339 15G 0 -0.01335 0.00244 -0.00540 0.01587 0.00375
|
|
340 15G+1 0.00940 0.00514 0.00520 0.00851 -0.00457
|
|
341 15G-1 -0.00363 -0.00324 0.00778 0.00766 -0.00137
|
|
342 15G+2 0.00636 -0.00132 0.00610 0.00562 0.00581
|
|
343 15G-2 0.00633 -0.00599 -0.00023 -0.00666 -0.00289
|
|
344 15G+3 -0.00367 0.00564 0.00827 0.01011 0.00972
|
|
345 15G-3 0.00144 -0.00919 0.00359 0.00653 0.00721
|
|
346 15G+4 -0.00332 -0.00059 0.00120 -0.00556 -0.00263
|
|
347 15G-4 -0.00077 -0.00686 0.00559 0.00444 0.00542
|
|
348 6 H 1S 0.00001 -0.00394 0.00365 0.00986 -0.00061
|
|
349 2S 0.06989 0.19420 0.22636 -0.35147 0.02234
|
|
350 3S 1.04635 0.60230 -3.93389 1.41821 1.74651
|
|
351 4S 1.94390 -1.89340 -2.66948 2.00310 0.21483
|
|
352 5S -0.03435 0.07015 0.04752 0.08656 -0.04580
|
|
353 6PX -0.01662 0.00099 0.02234 -0.00219 0.01689
|
|
354 6PY -0.00536 0.01843 -0.01724 0.02130 -0.00879
|
|
355 6PZ 0.03100 -0.00683 0.00856 -0.00576 -0.02195
|
|
356 7PX 0.16060 -0.02113 -0.18574 0.02980 -0.10816
|
|
357 7PY 0.03346 -0.11141 0.09783 -0.11165 0.05671
|
|
358 7PZ -0.25655 0.04119 -0.03954 0.04797 0.16139
|
|
359 8PX -0.90395 0.30684 1.04085 -0.25359 -0.35285
|
|
360 8PY -0.30240 -0.31512 0.35888 -0.33353 -0.30312
|
|
361 8PZ 0.99777 -0.01484 -0.83966 -0.08850 0.33106
|
|
362 9PX -0.69582 0.59773 -0.02300 -0.60604 -0.59610
|
|
363 9PY -1.51801 0.38528 0.47393 -0.45791 0.45960
|
|
364 9PZ 0.52887 -0.40792 -0.49570 0.06049 -0.09820
|
|
365 10D 0 -0.00569 -0.02076 -0.01517 -0.00565 -0.01943
|
|
366 10D+1 -0.03509 -0.05814 -0.01662 -0.00737 0.00869
|
|
367 10D-1 -0.01043 0.05337 -0.06340 0.06729 0.01578
|
|
368 10D+2 -0.06087 -0.06706 0.04173 -0.00278 -0.00079
|
|
369 10D-2 0.01411 -0.06237 -0.02780 -0.01175 -0.00358
|
|
370 11D 0 0.08878 0.13854 0.09742 0.03540 0.17641
|
|
371 11D+1 0.24683 0.37994 0.21514 0.09740 -0.08290
|
|
372 11D-1 0.13340 -0.42610 0.50964 -0.50229 -0.19284
|
|
373 11D+2 0.44617 0.43722 -0.28894 -0.04287 -0.03930
|
|
374 11D-2 -0.12600 0.45469 0.12106 0.08969 0.05635
|
|
375 12D 0 -0.34617 -0.10927 -0.18367 -0.85478 -0.17252
|
|
376 12D+1 -1.01842 -0.34373 -0.31012 -0.58600 -0.37029
|
|
377 12D-1 -0.45784 0.56334 -0.52748 0.13090 0.60325
|
|
378 12D+2 -0.74335 -0.99115 0.89854 -0.43167 0.53994
|
|
379 12D-2 0.65329 -0.94917 -0.37595 0.13157 0.17612
|
|
380 13F 0 0.04688 -0.00401 0.04023 0.04243 0.00028
|
|
381 13F+1 -0.00640 0.03659 -0.00334 0.04665 0.00722
|
|
382 13F-1 -0.01671 -0.02404 0.02252 -0.02303 -0.02130
|
|
383 13F+2 0.02569 -0.00028 -0.05466 -0.02271 -0.04620
|
|
384 13F-2 -0.02709 0.03485 -0.01858 0.00571 -0.00421
|
|
385 13F+3 -0.03331 0.00151 0.02133 -0.01760 0.00249
|
|
386 13F-3 -0.01413 -0.02615 0.00971 -0.00161 0.01671
|
|
387 14F 0 -0.48783 0.05778 -0.32846 -0.70651 0.00188
|
|
388 14F+1 -0.10699 -0.36235 0.07198 -0.43555 -0.07505
|
|
389 14F-1 0.19001 0.21894 -0.23347 0.14009 0.20722
|
|
390 14F+2 -0.13243 -0.08862 0.62560 0.04006 0.56089
|
|
391 14F-2 0.33267 -0.40008 0.03091 0.06169 0.09230
|
|
392 14F+3 0.31766 -0.00585 -0.30409 0.29167 -0.03804
|
|
393 14F-3 0.10496 0.33713 -0.05419 0.08407 -0.23800
|
|
394 15G 0 -0.01335 0.00244 -0.00540 -0.01587 0.00375
|
|
395 15G+1 -0.00940 -0.00514 -0.00520 0.00851 0.00457
|
|
396 15G-1 0.00363 0.00324 -0.00778 0.00766 0.00137
|
|
397 15G+2 0.00636 -0.00132 0.00610 -0.00562 0.00581
|
|
398 15G-2 0.00633 -0.00599 -0.00023 0.00666 -0.00289
|
|
399 15G+3 0.00367 -0.00564 -0.00827 0.01011 -0.00972
|
|
400 15G-3 -0.00144 0.00919 -0.00359 0.00653 -0.00721
|
|
401 15G+4 -0.00332 -0.00059 0.00120 0.00556 -0.00263
|
|
402 15G-4 -0.00077 -0.00686 0.00559 -0.00444 0.00542
|
|
171 172 173 174 175
|
|
V V V V V
|
|
Eigenvalues -- 5.58055 5.63298 5.67741 5.73669 5.79279
|
|
1 1 C 1S 0.00000 0.00152 0.00000 -0.00073 0.00000
|
|
2 2S 0.00000 -0.08912 0.00000 0.15426 0.00000
|
|
3 3S 0.00000 -0.70690 0.00000 1.21002 0.00000
|
|
4 4S 0.00000 6.20475 0.00000 -10.52787 0.00000
|
|
5 5S 0.00000 -11.77808 0.00000 18.89948 0.00000
|
|
6 6S 0.00000 0.75829 0.00000 0.11129 0.00000
|
|
7 7PX 0.00000 -0.06913 0.00000 -0.06411 0.00000
|
|
8 7PY 0.00000 0.05457 0.00000 -0.04879 0.00000
|
|
9 7PZ 0.02470 0.00000 -0.03998 0.00000 -0.14307
|
|
10 8PX 0.00000 -1.69971 0.00000 -1.20348 0.00000
|
|
11 8PY 0.00000 0.28457 0.00000 -0.43965 0.00000
|
|
12 8PZ -0.03323 0.00000 -1.31911 0.00000 -3.30910
|
|
13 9PX 0.00000 11.58143 0.00000 6.58122 0.00000
|
|
14 9PY 0.00000 1.00218 0.00000 0.52591 0.00000
|
|
15 9PZ 0.80907 0.00000 8.22620 0.00000 23.89924
|
|
16 10PX 0.00000 7.08638 0.00000 3.45578 0.00000
|
|
17 10PY 0.00000 -0.85096 0.00000 0.33019 0.00000
|
|
18 10PZ 2.74498 0.00000 3.85616 0.00000 11.25120
|
|
19 11PX 0.00000 -0.00047 0.00000 -0.12447 0.00000
|
|
20 11PY 0.00000 0.09480 0.00000 -0.10130 0.00000
|
|
21 11PZ 0.07310 0.00000 0.12149 0.00000 -0.09051
|
|
22 12D 0 0.00000 0.05138 0.00000 0.01056 0.00000
|
|
23 12D+1 -0.03536 0.00000 -0.01803 0.00000 0.03670
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|
|
287 15G+2 0.00000 0.01434 0.00000 -0.00956 0.00000
|
|
288 15G-2 0.00000 -0.00447 0.00000 -0.00178 0.00000
|
|
289 15G+3 0.00581 0.00000 0.01107 0.00000 -0.00306
|
|
290 15G-3 0.00914 0.00000 -0.00940 0.00000 0.00347
|
|
291 15G+4 0.00000 0.00546 0.00000 0.01587 0.00000
|
|
292 15G-4 0.00000 -0.00009 0.00000 0.00546 0.00000
|
|
293 5 H 1S 0.00441 -0.01363 -0.00231 0.00966 -0.00073
|
|
294 2S 0.04866 0.11264 0.12040 0.33308 0.30852
|
|
295 3S -0.69297 -2.23525 -6.51195 -8.17082 -21.47283
|
|
296 4S -1.95348 -2.64154 -3.21691 -1.79150 -9.84288
|
|
297 5S 0.15063 -0.01458 0.03807 0.22785 0.48862
|
|
298 6PX -0.02615 -0.01295 0.02404 -0.01044 0.00570
|
|
299 6PY -0.01628 0.00951 -0.01060 -0.00310 0.00178
|
|
300 6PZ 0.02049 0.01187 -0.00757 0.00482 0.02321
|
|
301 7PX 0.20205 0.04083 -0.20052 0.04578 -0.13015
|
|
302 7PY 0.10961 -0.07783 0.05265 -0.01496 -0.08154
|
|
303 7PZ -0.15445 -0.11184 0.00381 -0.06352 -0.39953
|
|
304 8PX -0.48909 1.29704 2.13640 1.09200 4.12972
|
|
305 8PY -0.24994 0.76310 0.87897 1.41251 3.42761
|
|
306 8PZ 0.60480 1.21423 2.40793 2.03587 8.98114
|
|
307 9PX -0.27941 0.19086 0.75153 0.05316 2.04932
|
|
308 9PY 0.85917 0.65934 0.69880 0.11150 1.52786
|
|
309 9PZ 0.30273 1.49003 1.25737 0.45194 3.81023
|
|
310 10D 0 0.04865 -0.01835 -0.01327 -0.01051 0.06288
|
|
311 10D+1 -0.03078 0.02292 0.02301 0.04648 0.00686
|
|
312 10D-1 -0.04895 -0.04110 0.03162 -0.01766 0.02812
|
|
313 10D+2 0.02363 -0.00195 0.05261 -0.08213 0.04193
|
|
314 10D-2 0.10528 0.08333 -0.04152 0.02140 0.01742
|
|
315 11D 0 -0.35061 0.21268 -0.02058 -0.03690 -0.75820
|
|
316 11D+1 0.15968 -0.21477 -0.29275 -0.49063 -0.42046
|
|
317 11D-1 0.32982 0.27394 -0.30611 -0.04624 -0.51688
|
|
318 11D+2 -0.20143 -0.01762 -0.37760 0.55181 -0.30301
|
|
319 11D-2 -0.71461 -0.60850 0.21624 -0.24156 -0.27446
|
|
320 12D 0 0.56348 -0.84534 -0.43380 0.32205 -1.00048
|
|
321 12D+1 -0.08378 -0.55709 -0.15043 0.51967 -1.14219
|
|
322 12D-1 -0.74668 -0.87482 -0.24728 0.49106 -0.90418
|
|
323 12D+2 0.96598 -0.09247 0.84545 0.02343 -0.33790
|
|
324 12D-2 0.73319 0.35396 -0.48383 0.16057 -0.49817
|
|
325 13F 0 0.04740 -0.04861 -0.00632 0.00265 0.03385
|
|
326 13F+1 0.00019 -0.01525 0.03090 0.02091 0.06395
|
|
327 13F-1 -0.01929 -0.03618 0.00826 0.07748 0.04859
|
|
328 13F+2 0.03421 0.02135 0.05186 0.02489 -0.00263
|
|
329 13F-2 -0.00564 0.03896 0.01666 0.03689 0.04141
|
|
330 13F+3 0.02265 -0.00821 0.03356 -0.00492 -0.00857
|
|
331 13F-3 0.02910 0.00448 0.02545 0.02876 -0.03025
|
|
332 14F 0 -0.52033 0.38174 0.13909 -0.06564 -0.08082
|
|
333 14F+1 0.02863 0.27924 -0.17178 -0.17940 -0.20094
|
|
334 14F-1 0.24072 0.39216 0.01946 -0.77601 -0.05290
|
|
335 14F+2 -0.46932 -0.09794 -0.58088 -0.25374 0.14141
|
|
336 14F-2 0.08641 -0.22619 -0.05066 -0.26474 -0.14285
|
|
337 14F+3 -0.29168 0.04969 -0.44255 -0.05513 0.11980
|
|
338 14F-3 -0.36598 0.06519 -0.29591 -0.27930 0.37813
|
|
339 15G 0 0.00677 0.00221 -0.00514 -0.00543 -0.00911
|
|
340 15G+1 0.00310 -0.00169 -0.00168 0.01036 0.00464
|
|
341 15G-1 0.00486 -0.00152 -0.00175 0.00976 -0.00407
|
|
342 15G+2 0.00882 -0.00811 0.00962 -0.00348 -0.00124
|
|
343 15G-2 -0.00624 -0.00661 0.00034 0.00959 0.00368
|
|
344 15G+3 0.00682 0.00516 0.00338 0.00044 -0.00625
|
|
345 15G-3 0.00511 -0.00405 0.00567 0.00612 0.00307
|
|
346 15G+4 0.00150 -0.00095 -0.00107 0.00443 -0.00820
|
|
347 15G-4 0.00495 -0.00307 0.00694 0.00244 0.00053
|
|
348 6 H 1S -0.00441 -0.01363 0.00231 0.00966 0.00073
|
|
349 2S -0.04866 0.11264 -0.12040 0.33308 -0.30852
|
|
350 3S 0.69297 -2.23525 6.51195 -8.17082 21.47283
|
|
351 4S 1.95348 -2.64154 3.21691 -1.79150 9.84288
|
|
352 5S -0.15063 -0.01458 -0.03807 0.22785 -0.48862
|
|
353 6PX 0.02615 -0.01295 -0.02404 -0.01044 -0.00570
|
|
354 6PY 0.01628 0.00951 0.01060 -0.00310 -0.00178
|
|
355 6PZ 0.02049 -0.01187 -0.00757 -0.00482 0.02321
|
|
356 7PX -0.20205 0.04083 0.20052 0.04578 0.13015
|
|
357 7PY -0.10961 -0.07783 -0.05265 -0.01496 0.08154
|
|
358 7PZ -0.15445 0.11184 0.00381 0.06352 -0.39953
|
|
359 8PX 0.48909 1.29704 -2.13640 1.09200 -4.12972
|
|
360 8PY 0.24994 0.76310 -0.87897 1.41251 -3.42761
|
|
361 8PZ 0.60480 -1.21423 2.40793 -2.03587 8.98114
|
|
362 9PX 0.27941 0.19086 -0.75153 0.05316 -2.04932
|
|
363 9PY -0.85917 0.65934 -0.69880 0.11150 -1.52786
|
|
364 9PZ 0.30273 -1.49003 1.25737 -0.45194 3.81023
|
|
365 10D 0 -0.04865 -0.01835 0.01327 -0.01051 -0.06288
|
|
366 10D+1 -0.03078 -0.02292 0.02301 -0.04648 0.00686
|
|
367 10D-1 -0.04895 0.04110 0.03162 0.01766 0.02812
|
|
368 10D+2 -0.02363 -0.00195 -0.05261 -0.08213 -0.04193
|
|
369 10D-2 -0.10528 0.08333 0.04152 0.02140 -0.01742
|
|
370 11D 0 0.35061 0.21268 0.02058 -0.03690 0.75820
|
|
371 11D+1 0.15968 0.21477 -0.29275 0.49063 -0.42046
|
|
372 11D-1 0.32982 -0.27394 -0.30611 0.04624 -0.51688
|
|
373 11D+2 0.20143 -0.01762 0.37760 0.55181 0.30301
|
|
374 11D-2 0.71461 -0.60850 -0.21624 -0.24156 0.27446
|
|
375 12D 0 -0.56348 -0.84534 0.43380 0.32205 1.00048
|
|
376 12D+1 -0.08378 0.55709 -0.15043 -0.51967 -1.14219
|
|
377 12D-1 -0.74668 0.87482 -0.24728 -0.49106 -0.90418
|
|
378 12D+2 -0.96598 -0.09247 -0.84545 0.02343 0.33790
|
|
379 12D-2 -0.73319 0.35396 0.48383 0.16057 0.49817
|
|
380 13F 0 0.04740 0.04861 -0.00632 -0.00265 0.03385
|
|
381 13F+1 -0.00019 -0.01525 -0.03090 0.02091 -0.06395
|
|
382 13F-1 0.01929 -0.03618 -0.00826 0.07748 -0.04859
|
|
383 13F+2 0.03421 -0.02135 0.05186 -0.02489 -0.00263
|
|
384 13F-2 -0.00564 -0.03896 0.01666 -0.03689 0.04141
|
|
385 13F+3 -0.02265 -0.00821 -0.03356 -0.00492 0.00857
|
|
386 13F-3 -0.02910 0.00448 -0.02545 0.02876 0.03025
|
|
387 14F 0 -0.52033 -0.38174 0.13909 0.06564 -0.08082
|
|
388 14F+1 -0.02863 0.27924 0.17178 -0.17940 0.20094
|
|
389 14F-1 -0.24072 0.39216 -0.01946 -0.77601 0.05290
|
|
390 14F+2 -0.46932 0.09794 -0.58088 0.25374 0.14141
|
|
391 14F-2 0.08641 0.22619 -0.05066 0.26474 -0.14285
|
|
392 14F+3 0.29168 0.04969 0.44255 -0.05513 -0.11980
|
|
393 14F-3 0.36598 0.06519 0.29591 -0.27930 -0.37813
|
|
394 15G 0 -0.00677 0.00221 0.00514 -0.00543 0.00911
|
|
395 15G+1 0.00310 0.00169 -0.00168 -0.01036 0.00464
|
|
396 15G-1 0.00486 0.00152 -0.00175 -0.00976 -0.00407
|
|
397 15G+2 -0.00882 -0.00811 -0.00962 -0.00348 0.00124
|
|
398 15G-2 0.00624 -0.00661 -0.00034 0.00959 -0.00368
|
|
399 15G+3 0.00682 -0.00516 0.00338 -0.00044 -0.00625
|
|
400 15G-3 0.00511 0.00405 0.00567 -0.00612 0.00307
|
|
401 15G+4 -0.00150 -0.00095 0.00107 0.00443 0.00820
|
|
402 15G-4 -0.00495 -0.00307 -0.00694 0.00244 -0.00053
|
|
176 177 178 179 180
|
|
V V V V V
|
|
Eigenvalues -- 5.82186 5.87907 5.95667 5.95806 5.98027
|
|
1 1 C 1S -0.00827 0.02488 0.01577 0.00000 0.00000
|
|
2 2S 0.08667 -0.03940 -0.09008 0.00000 0.00000
|
|
3 3S 0.51948 0.37823 -0.22944 0.00000 0.00000
|
|
4 4S -4.62963 -3.00822 -1.04011 0.00000 0.00000
|
|
5 5S 8.60986 2.43316 8.43429 0.00000 0.00000
|
|
6 6S -0.31044 -0.77032 1.45795 0.00000 0.00000
|
|
7 7PX -0.04331 -0.08858 0.03937 0.00000 0.00000
|
|
8 7PY -0.01173 -0.09309 0.00244 0.00000 0.00000
|
|
9 7PZ 0.00000 0.00000 0.00000 -0.01146 0.05256
|
|
10 8PX -0.43646 -2.97327 -0.14912 0.00000 0.00000
|
|
11 8PY -0.16705 -0.39173 -0.26329 0.00000 0.00000
|
|
12 8PZ 0.00000 0.00000 0.00000 -0.40845 1.18222
|
|
13 9PX 6.62084 20.65668 4.64440 0.00000 0.00000
|
|
14 9PY -0.13305 0.98864 2.52125 0.00000 0.00000
|
|
15 9PZ 0.00000 0.00000 0.00000 0.52478 -1.95458
|
|
16 10PX 2.00340 8.21012 1.04682 0.00000 0.00000
|
|
17 10PY -0.19014 0.37684 1.18847 0.00000 0.00000
|
|
18 10PZ 0.00000 0.00000 0.00000 2.09459 -3.06846
|
|
19 11PX 0.03605 -0.02324 0.26739 0.00000 0.00000
|
|
20 11PY -0.03185 -0.15743 0.05336 0.00000 0.00000
|
|
21 11PZ 0.00000 0.00000 0.00000 -0.12138 0.10893
|
|
22 12D 0 0.00971 0.02753 -0.01911 0.00000 0.00000
|
|
23 12D+1 0.00000 0.00000 0.00000 0.01393 -0.02511
|
|
24 12D-1 0.00000 0.00000 0.00000 0.01900 -0.07741
|
|
25 12D+2 0.00746 0.02731 0.01136 0.00000 0.00000
|
|
26 12D-2 -0.04611 0.04716 -0.01088 0.00000 0.00000
|
|
27 13D 0 -0.30606 -0.54660 -0.08211 0.00000 0.00000
|
|
28 13D+1 0.00000 0.00000 0.00000 -0.23313 0.37837
|
|
29 13D-1 0.00000 0.00000 0.00000 -0.22694 0.92881
|
|
30 13D+2 -0.05673 0.24331 0.00269 0.00000 0.00000
|
|
31 13D-2 0.32211 -1.12593 0.12618 0.00000 0.00000
|
|
32 14D 0 1.77517 9.61346 1.44984 0.00000 0.00000
|
|
33 14D+1 0.00000 0.00000 0.00000 2.01980 -3.60021
|
|
34 14D-1 0.00000 0.00000 0.00000 0.80837 -3.58064
|
|
35 14D+2 -1.50489 -4.62682 -1.39355 0.00000 0.00000
|
|
36 14D-2 1.77945 9.34598 1.84785 0.00000 0.00000
|
|
37 15D 0 0.46121 1.81914 1.14368 0.00000 0.00000
|
|
38 15D+1 0.00000 0.00000 0.00000 1.18271 -1.36031
|
|
39 15D-1 0.00000 0.00000 0.00000 -0.03088 -0.45407
|
|
40 15D+2 -0.28708 -1.98953 -0.38004 0.00000 0.00000
|
|
41 15D-2 0.95086 2.94971 0.66416 0.00000 0.00000
|
|
42 16F 0 0.00000 0.00000 0.00000 0.06231 0.05907
|
|
43 16F+1 -0.04694 -0.01744 -0.01255 0.00000 0.00000
|
|
44 16F-1 -0.07867 -0.11587 0.01498 0.00000 0.00000
|
|
45 16F+2 0.00000 0.00000 0.00000 -0.02386 -0.04099
|
|
46 16F-2 0.00000 0.00000 0.00000 -0.02107 0.05649
|
|
47 16F+3 0.01965 -0.06956 -0.01259 0.00000 0.00000
|
|
48 16F-3 0.01671 0.07883 0.03870 0.00000 0.00000
|
|
49 17F 0 0.00000 0.00000 0.00000 -0.75799 -0.67052
|
|
50 17F+1 0.30308 -0.11398 0.57206 0.00000 0.00000
|
|
51 17F-1 0.98242 1.62347 0.39417 0.00000 0.00000
|
|
52 17F+2 0.00000 0.00000 0.00000 0.35224 0.55993
|
|
53 17F-2 0.00000 0.00000 0.00000 0.05505 -0.19637
|
|
54 17F+3 0.11075 1.16147 0.43174 0.00000 0.00000
|
|
55 17F-3 -0.58331 -1.15116 -0.54177 0.00000 0.00000
|
|
56 18F 0 0.00000 0.00000 0.00000 1.52104 1.20503
|
|
57 18F+1 1.02741 -0.15840 1.35297 0.00000 0.00000
|
|
58 18F-1 1.64793 2.40069 0.96946 0.00000 0.00000
|
|
59 18F+2 0.00000 0.00000 0.00000 -0.41141 -0.96466
|
|
60 18F-2 0.00000 0.00000 0.00000 -0.79078 0.49779
|
|
61 18F+3 0.44166 1.35751 1.66224 0.00000 0.00000
|
|
62 18F-3 -0.31159 -0.80261 -0.40254 0.00000 0.00000
|
|
63 19G 0 -0.02112 -0.02056 -0.00391 0.00000 0.00000
|
|
64 19G+1 0.00000 0.00000 0.00000 -0.00084 0.02726
|
|
65 19G-1 0.00000 0.00000 0.00000 0.01433 -0.09456
|
|
66 19G+2 0.03635 0.01692 0.01107 0.00000 0.00000
|
|
67 19G-2 -0.00130 0.01833 0.00556 0.00000 0.00000
|
|
68 19G+3 0.00000 0.00000 0.00000 -0.02648 0.03094
|
|
69 19G-3 0.00000 0.00000 0.00000 0.06275 -0.02079
|
|
70 19G+4 0.01717 -0.03918 -0.02906 0.00000 0.00000
|
|
71 19G-4 -0.07589 0.02977 0.00856 0.00000 0.00000
|
|
72 20G 0 0.01047 -0.39840 -0.37238 0.00000 0.00000
|
|
73 20G+1 0.00000 0.00000 0.00000 0.11548 -0.14107
|
|
74 20G-1 0.00000 0.00000 0.00000 -0.79689 0.94081
|
|
75 20G+2 -0.58318 0.77173 -0.01185 0.00000 0.00000
|
|
76 20G-2 0.44658 -0.22770 0.40582 0.00000 0.00000
|
|
77 20G+3 0.00000 0.00000 0.00000 0.48432 -0.70999
|
|
78 20G-3 0.00000 0.00000 0.00000 -0.34007 0.89579
|
|
79 20G+4 -0.09689 0.22859 -0.25290 0.00000 0.00000
|
|
80 20G-4 1.45914 0.64235 0.08655 0.00000 0.00000
|
|
81 21H 0 0.00000 0.00000 0.00000 0.01854 0.11930
|
|
82 21H+1 -0.04217 0.06267 -0.04393 0.00000 0.00000
|
|
83 21H-1 0.00444 0.01061 -0.00002 0.00000 0.00000
|
|
84 21H+2 0.00000 0.00000 0.00000 0.06485 -0.03671
|
|
85 21H-2 0.00000 0.00000 0.00000 0.04334 -0.04549
|
|
86 21H+3 0.01528 -0.03040 -0.00192 0.00000 0.00000
|
|
87 21H-3 -0.01649 0.11508 -0.00494 0.00000 0.00000
|
|
88 21H+4 0.00000 0.00000 0.00000 -0.07061 -0.01952
|
|
89 21H-4 0.00000 0.00000 0.00000 0.02792 -0.01659
|
|
90 21H+5 -0.02072 -0.05548 0.04216 0.00000 0.00000
|
|
91 21H-5 -0.00207 -0.02658 -0.04613 0.00000 0.00000
|
|
92 2 O 1S -0.04068 0.01211 0.02454 0.00000 0.00000
|
|
93 2S 0.06048 -0.01678 -0.03842 0.00000 0.00000
|
|
94 3S -0.17713 0.07607 0.08504 0.00000 0.00000
|
|
95 4S 1.60218 -1.09393 -0.81407 0.00000 0.00000
|
|
96 5S -3.74377 3.60829 2.85627 0.00000 0.00000
|
|
97 6S -3.44366 0.56469 1.26194 0.00000 0.00000
|
|
98 7PX 0.04104 -0.00253 -0.12865 0.00000 0.00000
|
|
99 7PY 0.00574 -0.03601 0.06119 0.00000 0.00000
|
|
100 7PZ 0.00000 0.00000 0.00000 -0.03573 0.00229
|
|
101 8PX 0.36086 -0.20900 -0.65640 0.00000 0.00000
|
|
102 8PY -0.04556 -0.10031 0.27874 0.00000 0.00000
|
|
103 8PZ 0.00000 0.00000 0.00000 -0.42221 0.07054
|
|
104 9PX -0.88796 1.02140 1.00435 0.00000 0.00000
|
|
105 9PY 0.51629 -0.40830 -0.28590 0.00000 0.00000
|
|
106 9PZ 0.00000 0.00000 0.00000 0.83493 -0.04636
|
|
107 10PX -0.98474 4.32089 2.48241 0.00000 0.00000
|
|
108 10PY -2.82866 -0.91804 -1.15516 0.00000 0.00000
|
|
109 10PZ 0.00000 0.00000 0.00000 -1.53759 -0.77604
|
|
110 11PX -0.46612 0.27923 0.34080 0.00000 0.00000
|
|
111 11PY -0.17249 -0.04885 -0.19574 0.00000 0.00000
|
|
112 11PZ 0.00000 0.00000 0.00000 0.07545 -0.07316
|
|
113 12D 0 -0.00193 -0.00401 0.00457 0.00000 0.00000
|
|
114 12D+1 0.00000 0.00000 0.00000 0.00856 0.00934
|
|
115 12D-1 0.00000 0.00000 0.00000 0.01007 -0.02702
|
|
116 12D+2 0.01228 -0.00801 -0.01838 0.00000 0.00000
|
|
117 12D-2 -0.01180 -0.00325 0.00924 0.00000 0.00000
|
|
118 13D 0 0.08593 -0.00623 -0.07485 0.00000 0.00000
|
|
119 13D+1 0.00000 0.00000 0.00000 -0.01695 -0.02395
|
|
120 13D-1 0.00000 0.00000 0.00000 -0.05222 0.10037
|
|
121 13D+2 -0.08006 -0.02511 0.18514 0.00000 0.00000
|
|
122 13D-2 0.12173 0.02888 -0.04309 0.00000 0.00000
|
|
123 14D 0 0.07703 -0.45319 0.05775 0.00000 0.00000
|
|
124 14D+1 0.00000 0.00000 0.00000 -0.09866 0.43114
|
|
125 14D-1 0.00000 0.00000 0.00000 0.43699 -0.85226
|
|
126 14D+2 0.10583 0.28281 -0.48731 0.00000 0.00000
|
|
127 14D-2 -0.27559 -0.57950 0.29315 0.00000 0.00000
|
|
128 15D 0 0.69401 -0.31038 -0.06128 0.00000 0.00000
|
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379 12D-2 0.53421 -0.31300 0.21400 0.05425 0.95837
|
|
380 13F 0 0.00538 0.00021 -0.00827 -0.01612 -0.06312
|
|
381 13F+1 0.02248 0.06656 -0.01637 -0.00591 0.01500
|
|
382 13F-1 -0.03453 0.01535 -0.01098 -0.01701 0.02789
|
|
383 13F+2 0.02397 -0.00804 0.00065 0.00799 0.00263
|
|
384 13F-2 -0.03623 -0.03773 -0.02467 0.03253 -0.05726
|
|
385 13F+3 -0.00822 -0.01327 -0.00464 -0.01618 -0.01258
|
|
386 13F-3 0.02869 -0.00959 0.02289 -0.02002 0.03829
|
|
387 14F 0 -0.07350 -0.02331 0.03446 0.40382 0.82760
|
|
388 14F+1 -0.17699 -0.56167 0.30856 0.06892 -0.03110
|
|
389 14F-1 0.42202 0.01325 0.25366 0.08089 -0.30160
|
|
390 14F+2 -0.36660 0.12410 -0.06754 -0.28665 -0.04043
|
|
391 14F-2 0.31370 0.19777 0.20604 -0.39232 0.63417
|
|
392 14F+3 0.17294 0.08535 0.06809 0.24698 0.19978
|
|
393 14F-3 -0.20332 0.14446 -0.25216 0.28166 -0.49758
|
|
394 15G 0 -0.00111 -0.00415 0.00422 0.00962 0.00705
|
|
395 15G+1 -0.00299 -0.00728 0.00343 -0.00617 -0.00346
|
|
396 15G-1 -0.00403 -0.00607 0.00307 -0.00298 -0.01513
|
|
397 15G+2 0.00396 -0.00039 -0.00063 -0.00962 -0.00411
|
|
398 15G-2 0.00342 -0.00082 -0.00495 -0.00386 0.00646
|
|
399 15G+3 0.00899 0.00286 0.00177 0.00301 0.00443
|
|
400 15G-3 0.00692 -0.00153 0.00187 0.00857 -0.00554
|
|
401 15G+4 -0.00296 0.00103 -0.00058 0.01011 -0.00890
|
|
402 15G-4 -0.00823 0.00206 -0.00108 -0.00367 0.00086
|
|
181 182 183 184 185
|
|
V V V V V
|
|
Eigenvalues -- 6.06575 6.09527 6.16016 6.16615 6.34881
|
|
1 1 C 1S -0.03856 -0.00059 0.00000 -0.07879 0.04390
|
|
2 2S 0.00781 0.09829 0.00000 0.36577 -0.13360
|
|
3 3S -0.99273 0.74672 0.00000 0.83973 0.23603
|
|
4 4S 9.76612 -5.92982 0.00000 -5.18691 -3.25265
|
|
5 5S -18.31945 11.14996 0.00000 8.68024 3.57799
|
|
6 6S -1.45601 0.15030 0.00000 -1.48552 0.73665
|
|
7 7PX -0.02245 0.00150 0.00000 -0.00079 0.01161
|
|
8 7PY 0.05465 0.00447 0.00000 0.06605 -0.08535
|
|
9 7PZ 0.00000 0.00000 -0.00293 0.00000 0.00000
|
|
10 8PX -2.21276 -0.61308 0.00000 -0.27017 -0.96954
|
|
11 8PY 0.12321 0.25075 0.00000 -0.93371 -0.95980
|
|
12 8PZ 0.00000 0.00000 -0.51942 0.00000 0.00000
|
|
13 9PX 13.11506 1.19010 0.00000 3.98944 5.18830
|
|
14 9PY 1.28860 -3.62815 0.00000 3.71634 1.50952
|
|
15 9PZ 0.00000 0.00000 -0.09346 0.00000 0.00000
|
|
16 10PX 5.71525 1.18272 0.00000 1.40161 2.26372
|
|
17 10PY -1.10464 -0.40140 0.00000 -0.94669 -0.66255
|
|
18 10PZ 0.00000 0.00000 0.81992 0.00000 0.00000
|
|
19 11PX 0.10909 0.39110 0.00000 -0.04791 0.20140
|
|
20 11PY 0.16664 -0.02929 0.00000 -0.01652 0.10413
|
|
21 11PZ 0.00000 0.00000 0.38144 0.00000 0.00000
|
|
22 12D 0 -0.00310 0.00037 0.00000 -0.02744 0.01827
|
|
23 12D+1 0.00000 0.00000 0.00504 0.00000 0.00000
|
|
24 12D-1 0.00000 0.00000 0.00743 0.00000 0.00000
|
|
25 12D+2 -0.03163 -0.01336 0.00000 -0.03272 0.05252
|
|
26 12D-2 0.05728 0.01555 0.00000 -0.01202 -0.01474
|
|
27 13D 0 -0.51585 -0.32839 0.00000 0.21736 -0.76937
|
|
28 13D+1 0.00000 0.00000 -0.67561 0.00000 0.00000
|
|
29 13D-1 0.00000 0.00000 0.60061 0.00000 0.00000
|
|
30 13D+2 0.35489 0.48226 0.00000 0.43691 -0.66955
|
|
31 13D-2 -0.80062 0.41067 0.00000 -0.07110 0.15822
|
|
32 14D 0 6.62340 2.96717 0.00000 1.73892 2.95960
|
|
33 14D+1 0.00000 0.00000 3.16525 0.00000 0.00000
|
|
34 14D-1 0.00000 0.00000 -2.30411 0.00000 0.00000
|
|
35 14D+2 -5.84363 -2.45053 0.00000 0.88407 1.01574
|
|
36 14D-2 6.52675 -1.48946 0.00000 2.31826 1.00560
|
|
37 15D 0 1.84500 1.61871 0.00000 0.15528 1.46266
|
|
38 15D+1 0.00000 0.00000 2.02698 0.00000 0.00000
|
|
39 15D-1 0.00000 0.00000 -1.66343 0.00000 0.00000
|
|
40 15D+2 -0.98756 -1.24094 0.00000 -0.47051 -0.13579
|
|
41 15D-2 1.31723 -1.49606 0.00000 0.81677 -0.21747
|
|
42 16F 0 0.00000 0.00000 -0.00338 0.00000 0.00000
|
|
43 16F+1 0.03620 -0.02874 0.00000 -0.11702 -0.00700
|
|
44 16F-1 -0.04914 -0.07197 0.00000 -0.09279 0.01274
|
|
45 16F+2 0.00000 0.00000 0.00003 0.00000 0.00000
|
|
46 16F-2 0.00000 0.00000 -0.00791 0.00000 0.00000
|
|
47 16F+3 -0.08244 0.02572 0.00000 0.04688 -0.02317
|
|
48 16F-3 0.10736 -0.04088 0.00000 -0.07328 0.02120
|
|
49 17F 0 0.00000 0.00000 -0.05633 0.00000 0.00000
|
|
50 17F+1 0.23181 -0.15389 0.00000 0.85229 -0.16340
|
|
51 17F-1 0.66594 0.39798 0.00000 0.97538 0.07014
|
|
52 17F+2 0.00000 0.00000 -0.14147 0.00000 0.00000
|
|
53 17F-2 0.00000 0.00000 -0.21127 0.00000 0.00000
|
|
54 17F+3 0.92461 -0.22749 0.00000 -0.07486 0.35056
|
|
55 17F-3 -1.00621 0.41591 0.00000 0.32767 -0.20450
|
|
56 18F 0 0.00000 0.00000 0.03425 0.00000 0.00000
|
|
57 18F+1 -0.37346 0.15372 0.00000 1.01673 0.91522
|
|
58 18F-1 -0.11837 0.85927 0.00000 1.47231 0.54975
|
|
59 18F+2 0.00000 0.00000 0.13418 0.00000 0.00000
|
|
60 18F-2 0.00000 0.00000 0.40778 0.00000 0.00000
|
|
61 18F+3 0.96566 0.42929 0.00000 0.26735 0.21986
|
|
62 18F-3 -2.81877 1.67404 0.00000 1.08061 -1.03891
|
|
63 19G 0 -0.00039 -0.01224 0.00000 0.02885 0.08681
|
|
64 19G+1 0.00000 0.00000 -0.02913 0.00000 0.00000
|
|
65 19G-1 0.00000 0.00000 -0.04960 0.00000 0.00000
|
|
66 19G+2 0.03026 -0.01111 0.00000 0.02690 0.00930
|
|
67 19G-2 0.01325 0.01411 0.00000 0.06924 -0.07867
|
|
68 19G+3 0.00000 0.00000 0.00742 0.00000 0.00000
|
|
69 19G-3 0.00000 0.00000 -0.04359 0.00000 0.00000
|
|
70 19G+4 -0.02151 0.01530 0.00000 0.02249 0.07520
|
|
71 19G-4 0.05257 -0.01670 0.00000 0.02235 0.00227
|
|
72 20G 0 -0.35106 1.16042 0.00000 -0.76759 -1.22681
|
|
73 20G+1 0.00000 0.00000 -0.16438 0.00000 0.00000
|
|
74 20G-1 0.00000 0.00000 0.52204 0.00000 0.00000
|
|
75 20G+2 -0.28905 0.22802 0.00000 -0.03292 0.40044
|
|
76 20G-2 0.45731 -0.14216 0.00000 0.40681 0.15744
|
|
77 20G+3 0.00000 0.00000 0.75379 0.00000 0.00000
|
|
78 20G-3 0.00000 0.00000 0.74016 0.00000 0.00000
|
|
79 20G+4 -0.32986 -0.30158 0.00000 0.05716 -0.48462
|
|
80 20G-4 -0.15827 0.29162 0.00000 -0.42425 0.39136
|
|
81 21H 0 0.00000 0.00000 -0.04863 0.00000 0.00000
|
|
82 21H+1 0.06701 0.10001 0.00000 -0.03196 0.02738
|
|
83 21H-1 -0.03549 0.08241 0.00000 0.01431 0.02697
|
|
84 21H+2 0.00000 0.00000 0.08378 0.00000 0.00000
|
|
85 21H-2 0.00000 0.00000 -0.01369 0.00000 0.00000
|
|
86 21H+3 -0.08279 0.00288 0.00000 0.00396 0.03834
|
|
87 21H-3 0.01783 -0.01217 0.00000 0.05980 0.03761
|
|
88 21H+4 0.00000 0.00000 -0.02101 0.00000 0.00000
|
|
89 21H-4 0.00000 0.00000 0.06502 0.00000 0.00000
|
|
90 21H+5 -0.00206 0.03774 0.00000 -0.02794 -0.06491
|
|
91 21H-5 -0.04670 -0.00854 0.00000 0.01747 -0.02886
|
|
92 2 O 1S 0.00128 -0.00035 0.00000 0.01671 -0.01840
|
|
93 2S 0.00447 -0.01653 0.00000 -0.03212 0.04607
|
|
94 3S 0.09576 -0.10157 0.00000 0.01957 -0.02479
|
|
95 4S -0.82047 0.57106 0.00000 -0.24958 0.80710
|
|
96 5S 1.41533 -1.51927 0.00000 -0.90137 -2.33840
|
|
97 6S 0.39139 -1.03533 0.00000 0.00139 -4.14376
|
|
98 7PX 0.02730 -0.01796 0.00000 -0.03641 0.01412
|
|
99 7PY 0.01751 -0.00968 0.00000 -0.00803 0.00322
|
|
100 7PZ 0.00000 0.00000 -0.00054 0.00000 0.00000
|
|
101 8PX 0.14568 -0.17635 0.00000 -0.13846 0.42164
|
|
102 8PY 0.07559 0.03216 0.00000 0.16348 -0.31956
|
|
103 8PZ 0.00000 0.00000 -0.01540 0.00000 0.00000
|
|
104 9PX -1.11598 0.68663 0.00000 0.06144 -1.52568
|
|
105 9PY 0.01551 -0.06690 0.00000 -0.83561 1.40359
|
|
106 9PZ 0.00000 0.00000 0.27402 0.00000 0.00000
|
|
107 10PX 1.71621 1.27003 0.00000 0.41362 -3.52117
|
|
108 10PY 2.03095 -4.82041 0.00000 -0.47732 1.20242
|
|
109 10PZ 0.00000 0.00000 -0.86660 0.00000 0.00000
|
|
110 11PX -0.22589 -0.28190 0.00000 -0.07131 -0.87535
|
|
111 11PY 0.35977 -0.32668 0.00000 0.10256 0.06903
|
|
112 11PZ 0.00000 0.00000 -0.38263 0.00000 0.00000
|
|
113 12D 0 -0.01027 0.01046 0.00000 0.00460 0.00165
|
|
114 12D+1 0.00000 0.00000 0.00811 0.00000 0.00000
|
|
115 12D-1 0.00000 0.00000 -0.02041 0.00000 0.00000
|
|
116 12D+2 -0.00316 0.01598 0.00000 -0.00835 -0.01093
|
|
117 12D-2 -0.00749 0.00261 0.00000 0.00774 0.00251
|
|
118 13D 0 0.06632 -0.04310 0.00000 -0.08893 0.01041
|
|
119 13D+1 0.00000 0.00000 -0.02312 0.00000 0.00000
|
|
120 13D-1 0.00000 0.00000 0.06355 0.00000 0.00000
|
|
121 13D+2 0.04239 -0.07311 0.00000 0.02365 0.10232
|
|
122 13D-2 0.09200 -0.02323 0.00000 -0.02200 -0.03539
|
|
123 14D 0 -0.23849 0.28490 0.00000 0.09548 0.18705
|
|
124 14D+1 0.00000 0.00000 0.51503 0.00000 0.00000
|
|
125 14D-1 0.00000 0.00000 -0.63053 0.00000 0.00000
|
|
126 14D+2 -0.46877 0.83703 0.00000 -0.47630 -1.18917
|
|
127 14D-2 -0.36841 0.21925 0.00000 -0.02169 0.13703
|
|
128 15D 0 -0.31811 -0.07654 0.00000 -0.29263 0.67744
|
|
129 15D+1 0.00000 0.00000 0.25845 0.00000 0.00000
|
|
130 15D-1 0.00000 0.00000 -1.03871 0.00000 0.00000
|
|
131 15D+2 -0.07342 2.24415 0.00000 -0.96097 -0.97716
|
|
132 15D-2 1.88357 -1.58159 0.00000 -0.03697 0.37078
|
|
133 16F 0 0.00000 0.00000 0.01453 0.00000 0.00000
|
|
134 16F+1 0.00500 0.00450 0.00000 -0.00608 -0.00380
|
|
135 16F-1 0.00139 -0.00001 0.00000 -0.02090 0.00487
|
|
136 16F+2 0.00000 0.00000 0.00404 0.00000 0.00000
|
|
137 16F-2 0.00000 0.00000 0.00093 0.00000 0.00000
|
|
138 16F+3 0.00419 0.00599 0.00000 0.01050 0.00030
|
|
139 16F-3 0.01509 -0.00867 0.00000 -0.00369 0.02079
|
|
140 17F 0 0.00000 0.00000 -0.12772 0.00000 0.00000
|
|
141 17F+1 0.00130 -0.05352 0.00000 0.02660 0.02189
|
|
142 17F-1 -0.00981 -0.01288 0.00000 0.16270 -0.02992
|
|
143 17F+2 0.00000 0.00000 -0.08294 0.00000 0.00000
|
|
144 17F-2 0.00000 0.00000 -0.00338 0.00000 0.00000
|
|
145 17F+3 -0.05815 -0.08811 0.00000 -0.04166 0.02912
|
|
146 17F-3 -0.04273 0.01397 0.00000 -0.00214 -0.15503
|
|
147 18F 0 0.00000 0.00000 0.13823 0.00000 0.00000
|
|
148 18F+1 -0.22974 -0.13318 0.00000 0.11329 0.44577
|
|
149 18F-1 -0.12050 0.25687 0.00000 -0.32471 -0.19537
|
|
150 18F+2 0.00000 0.00000 0.73559 0.00000 0.00000
|
|
151 18F-2 0.00000 0.00000 -0.16376 0.00000 0.00000
|
|
152 18F+3 -0.70569 0.85522 0.00000 -0.62639 -0.14380
|
|
153 18F-3 0.30267 0.23395 0.00000 -0.29865 0.17754
|
|
154 19G 0 -0.00351 -0.00015 0.00000 0.01693 0.01099
|
|
155 19G+1 0.00000 0.00000 0.00347 0.00000 0.00000
|
|
156 19G-1 0.00000 0.00000 -0.00205 0.00000 0.00000
|
|
157 19G+2 -0.00406 0.00504 0.00000 0.00370 0.00609
|
|
158 19G-2 0.00864 -0.00463 0.00000 0.00378 0.00984
|
|
159 19G+3 0.00000 0.00000 -0.00185 0.00000 0.00000
|
|
160 19G-3 0.00000 0.00000 -0.00311 0.00000 0.00000
|
|
161 19G+4 -0.01283 0.00441 0.00000 0.00379 -0.00856
|
|
162 19G-4 0.00948 -0.00741 0.00000 0.00033 0.00072
|
|
163 20G 0 0.04167 -0.00190 0.00000 -0.18469 -0.11669
|
|
164 20G+1 0.00000 0.00000 -0.09586 0.00000 0.00000
|
|
165 20G-1 0.00000 0.00000 0.03954 0.00000 0.00000
|
|
166 20G+2 0.03745 -0.07349 0.00000 -0.02629 0.02775
|
|
167 20G-2 -0.05651 0.02771 0.00000 -0.01615 -0.10239
|
|
168 20G+3 0.00000 0.00000 0.04546 0.00000 0.00000
|
|
169 20G-3 0.00000 0.00000 -0.02001 0.00000 0.00000
|
|
170 20G+4 0.11207 -0.03220 0.00000 -0.14945 0.09405
|
|
171 20G-4 -0.10898 0.04957 0.00000 -0.00015 0.06268
|
|
172 21H 0 0.00000 0.00000 0.00131 0.00000 0.00000
|
|
173 21H+1 0.01018 -0.00180 0.00000 -0.00681 -0.00937
|
|
174 21H-1 0.00353 -0.00184 0.00000 0.00698 0.00364
|
|
175 21H+2 0.00000 0.00000 -0.02271 0.00000 0.00000
|
|
176 21H-2 0.00000 0.00000 0.00571 0.00000 0.00000
|
|
177 21H+3 0.00307 -0.01093 0.00000 0.01242 0.00969
|
|
178 21H-3 0.00594 -0.01016 0.00000 0.00337 0.00213
|
|
179 21H+4 0.00000 0.00000 -0.00576 0.00000 0.00000
|
|
180 21H-4 0.00000 0.00000 -0.01173 0.00000 0.00000
|
|
181 21H+5 0.01505 0.00549 0.00000 -0.00799 -0.00972
|
|
182 21H-5 -0.00865 0.00028 0.00000 0.00928 0.01528
|
|
183 3 H 1S 0.00425 0.00994 0.00000 0.00094 -0.00946
|
|
184 2S -0.59889 0.06518 0.00000 -0.21613 0.51997
|
|
185 3S 18.66460 0.50245 0.00000 -0.65161 3.34143
|
|
186 4S 6.88680 1.25496 0.00000 2.99560 1.70659
|
|
187 5S -0.11644 0.26641 0.00000 -0.10458 -0.05159
|
|
188 6PX -0.00274 -0.03575 0.00000 0.08682 -0.00946
|
|
189 6PY 0.02856 -0.06750 0.00000 0.01132 0.08429
|
|
190 6PZ 0.00000 0.00000 0.12260 0.00000 0.00000
|
|
191 7PX -0.09204 0.29852 0.00000 -0.71118 0.02180
|
|
192 7PY -0.16954 0.54791 0.00000 -0.09487 -0.67772
|
|
193 7PZ 0.00000 0.00000 -1.01246 0.00000 0.00000
|
|
194 8PX 7.31536 0.08951 0.00000 0.67286 1.92686
|
|
195 8PY -1.76991 -1.63090 0.00000 0.00976 0.06022
|
|
196 8PZ 0.00000 0.00000 1.97696 0.00000 0.00000
|
|
197 9PX 2.91508 0.11995 0.00000 1.52711 0.80565
|
|
198 9PY -0.69299 -1.50695 0.00000 -0.00492 0.09144
|
|
199 9PZ 0.00000 0.00000 1.47519 0.00000 0.00000
|
|
200 10D 0 -0.02964 -0.02664 0.00000 0.01502 0.06604
|
|
201 10D+1 0.00000 0.00000 0.07668 0.00000 0.00000
|
|
202 10D-1 0.00000 0.00000 0.06696 0.00000 0.00000
|
|
203 10D+2 -0.03551 -0.02831 0.00000 0.09252 0.00792
|
|
204 10D-2 0.01982 -0.02762 0.00000 -0.02191 0.06889
|
|
205 11D 0 -0.07223 0.19253 0.00000 -0.00418 -0.58806
|
|
206 11D+1 0.00000 0.00000 -0.55266 0.00000 0.00000
|
|
207 11D-1 0.00000 0.00000 -0.48743 0.00000 0.00000
|
|
208 11D+2 0.61506 0.24771 0.00000 -0.82602 0.04673
|
|
209 11D-2 -0.41994 0.18127 0.00000 0.23050 -0.65761
|
|
210 12D 0 0.18433 -0.59188 0.00000 -0.72607 -0.14110
|
|
211 12D+1 0.00000 0.00000 1.49394 0.00000 0.00000
|
|
212 12D-1 0.00000 0.00000 -0.28102 0.00000 0.00000
|
|
213 12D+2 0.00476 -0.31998 0.00000 1.27579 0.74349
|
|
214 12D-2 -0.25005 -0.80839 0.00000 -0.13984 0.29485
|
|
215 13F 0 0.00000 0.00000 -0.01102 0.00000 0.00000
|
|
216 13F+1 -0.10653 0.01743 0.00000 0.03277 0.01595
|
|
217 13F-1 0.02024 0.01412 0.00000 0.01208 -0.00981
|
|
218 13F+2 0.00000 0.00000 0.04174 0.00000 0.00000
|
|
219 13F-2 0.00000 0.00000 0.01674 0.00000 0.00000
|
|
220 13F+3 0.07012 -0.02107 0.00000 -0.00505 -0.00432
|
|
221 13F-3 -0.04791 -0.03225 0.00000 -0.01104 0.00879
|
|
222 14F 0 0.00000 0.00000 -0.20870 0.00000 0.00000
|
|
223 14F+1 0.89989 -0.15355 0.00000 -0.43504 -0.33723
|
|
224 14F-1 -0.10835 -0.10246 0.00000 -0.16471 0.13439
|
|
225 14F+2 0.00000 0.00000 -0.08275 0.00000 0.00000
|
|
226 14F-2 0.00000 0.00000 -0.41033 0.00000 0.00000
|
|
227 14F+3 -0.64161 0.09086 0.00000 0.18677 0.23547
|
|
228 14F-3 0.31760 0.09716 0.00000 0.13121 -0.13182
|
|
229 15G 0 -0.00962 0.00448 0.00000 0.00259 0.00189
|
|
230 15G+1 0.00000 0.00000 -0.01388 0.00000 0.00000
|
|
231 15G-1 0.00000 0.00000 0.01186 0.00000 0.00000
|
|
232 15G+2 0.00518 0.00642 0.00000 -0.00658 -0.01607
|
|
233 15G-2 0.00034 0.00310 0.00000 0.00952 -0.00118
|
|
234 15G+3 0.00000 0.00000 0.01414 0.00000 0.00000
|
|
235 15G-3 0.00000 0.00000 -0.01160 0.00000 0.00000
|
|
236 15G+4 -0.00739 -0.00817 0.00000 0.00920 0.00773
|
|
237 15G-4 0.01630 -0.00909 0.00000 -0.00501 0.00435
|
|
238 4 H 1S -0.00715 0.00431 0.00000 -0.00384 0.00831
|
|
239 2S 0.06116 0.00283 0.00000 0.39589 -0.03068
|
|
240 3S -0.21577 -3.56424 0.00000 -0.05115 5.30346
|
|
241 4S 2.42074 -0.84994 0.00000 -0.19643 2.59071
|
|
242 5S -0.01619 -0.03040 0.00000 0.16686 0.06337
|
|
243 6PX -0.04314 0.02214 0.00000 0.05955 0.03558
|
|
244 6PY 0.00359 0.03553 0.00000 0.03569 0.00400
|
|
245 6PZ 0.00000 0.00000 -0.01719 0.00000 0.00000
|
|
246 7PX 0.41170 -0.21709 0.00000 -0.52795 -0.22022
|
|
247 7PY -0.07448 -0.26516 0.00000 -0.31193 -0.02064
|
|
248 7PZ 0.00000 0.00000 0.17932 0.00000 0.00000
|
|
249 8PX -0.72475 1.12857 0.00000 0.68794 -2.05627
|
|
250 8PY -0.18317 -0.44710 0.00000 1.08741 1.01915
|
|
251 8PZ 0.00000 0.00000 -0.93326 0.00000 0.00000
|
|
252 9PX -1.23331 0.68678 0.00000 0.29788 -1.48428
|
|
253 9PY 0.68164 -0.07507 0.00000 0.38769 0.15807
|
|
254 9PZ 0.00000 0.00000 -0.23881 0.00000 0.00000
|
|
255 10D 0 -0.05845 -0.01434 0.00000 0.00386 0.02712
|
|
256 10D+1 0.00000 0.00000 -0.05312 0.00000 0.00000
|
|
257 10D-1 0.00000 0.00000 0.00110 0.00000 0.00000
|
|
258 10D+2 -0.05008 -0.04289 0.00000 -0.00169 0.04863
|
|
259 10D-2 0.00474 -0.04931 0.00000 0.01736 0.02770
|
|
260 11D 0 0.49277 0.14085 0.00000 -0.11601 -0.36403
|
|
261 11D+1 0.00000 0.00000 0.44177 0.00000 0.00000
|
|
262 11D-1 0.00000 0.00000 -0.03020 0.00000 0.00000
|
|
263 11D+2 0.27560 0.34294 0.00000 0.11604 -0.12652
|
|
264 11D-2 0.05444 0.44635 0.00000 -0.23450 -0.35040
|
|
265 12D 0 -0.68683 -0.11986 0.00000 0.08031 -0.20103
|
|
266 12D+1 0.00000 0.00000 0.27823 0.00000 0.00000
|
|
267 12D-1 0.00000 0.00000 -0.21137 0.00000 0.00000
|
|
268 12D+2 0.07693 -0.30049 0.00000 -0.65763 0.57244
|
|
269 12D-2 -0.94367 0.12943 0.00000 -0.57913 -0.30346
|
|
270 13F 0 0.00000 0.00000 0.00894 0.00000 0.00000
|
|
271 13F+1 0.00071 -0.01003 0.00000 -0.00567 0.01932
|
|
272 13F-1 0.01709 -0.00211 0.00000 -0.00017 -0.00308
|
|
273 13F+2 0.00000 0.00000 -0.00359 0.00000 0.00000
|
|
274 13F-2 0.00000 0.00000 0.01255 0.00000 0.00000
|
|
275 13F+3 -0.01799 0.01126 0.00000 0.00944 -0.03581
|
|
276 13F-3 -0.03655 -0.00010 0.00000 -0.00788 0.02011
|
|
277 14F 0 0.00000 0.00000 0.10959 0.00000 0.00000
|
|
278 14F+1 0.08394 0.02835 0.00000 0.08542 0.12662
|
|
279 14F-1 -0.29651 0.04909 0.00000 -0.12067 -0.06547
|
|
280 14F+2 0.00000 0.00000 -0.18734 0.00000 0.00000
|
|
281 14F-2 0.00000 0.00000 0.06609 0.00000 0.00000
|
|
282 14F+3 0.32427 -0.21092 0.00000 0.28370 0.17580
|
|
283 14F-3 0.46222 -0.21424 0.00000 0.28704 0.14843
|
|
284 15G 0 0.00349 -0.00204 0.00000 -0.00215 0.00444
|
|
285 15G+1 0.00000 0.00000 -0.01549 0.00000 0.00000
|
|
286 15G-1 0.00000 0.00000 0.00260 0.00000 0.00000
|
|
287 15G+2 -0.00876 0.00638 0.00000 -0.00075 -0.01029
|
|
288 15G-2 0.00287 -0.00090 0.00000 0.00732 0.00709
|
|
289 15G+3 0.00000 0.00000 0.00477 0.00000 0.00000
|
|
290 15G-3 0.00000 0.00000 -0.01412 0.00000 0.00000
|
|
291 15G+4 -0.01170 0.00649 0.00000 -0.02338 -0.00141
|
|
292 15G-4 -0.00854 0.00528 0.00000 -0.00026 -0.00813
|
|
293 5 H 1S -0.00267 -0.00167 0.00336 0.00183 0.01317
|
|
294 2S -0.39496 0.28566 -0.19720 -0.13276 -0.26630
|
|
295 3S -3.03336 -2.93254 -0.50455 -6.53068 -3.07945
|
|
296 4S -1.47823 -0.65882 -0.80779 0.89236 -1.42795
|
|
297 5S -0.00503 -0.07879 -0.19720 0.01525 -0.07088
|
|
298 6PX 0.01717 0.05104 -0.08220 -0.05136 0.03718
|
|
299 6PY 0.01336 0.01905 0.03239 0.01220 0.06559
|
|
300 6PZ -0.04124 -0.06484 -0.00555 -0.05141 -0.05463
|
|
301 7PX -0.19947 -0.43282 0.69879 0.38026 -0.26255
|
|
302 7PY -0.12204 -0.17363 -0.26703 -0.12185 -0.53174
|
|
303 7PZ 0.26219 0.55151 0.07859 0.32572 0.46808
|
|
304 8PX 1.89144 1.38739 -1.31736 0.61370 0.12530
|
|
305 8PY 0.60240 1.11990 0.99405 0.87541 1.17491
|
|
306 8PZ 1.75871 -0.73284 0.00883 2.29375 0.54337
|
|
307 9PX 0.49625 0.89447 -0.81686 -0.36229 0.55665
|
|
308 9PY 0.87463 0.58196 1.15511 -0.15022 0.79638
|
|
309 9PZ 0.49608 -0.72597 0.16740 -0.27298 0.00961
|
|
310 10D 0 0.06567 0.04217 -0.01773 0.06368 0.03888
|
|
311 10D+1 0.03884 -0.03333 -0.00766 0.08092 -0.05823
|
|
312 10D-1 -0.01842 -0.01777 0.00678 0.04891 -0.02368
|
|
313 10D+2 0.02510 -0.00542 0.07297 0.02557 -0.00689
|
|
314 10D-2 0.01778 0.06537 -0.01366 -0.01305 -0.07134
|
|
315 11D 0 -0.60281 -0.31269 0.10365 -0.66699 -0.43033
|
|
316 11D+1 -0.40305 0.16564 0.02601 -0.80123 0.39334
|
|
317 11D-1 0.08872 0.04942 -0.11518 -0.49353 0.11091
|
|
318 11D+2 -0.23611 0.04461 -0.51979 -0.21695 0.06609
|
|
319 11D-2 -0.16194 -0.52561 0.06766 0.02295 0.52859
|
|
320 12D 0 -0.03991 1.40036 -0.02596 0.18455 0.59614
|
|
321 12D+1 -1.12519 0.32136 0.74588 0.77349 -0.11812
|
|
322 12D-1 -0.33729 0.12119 -0.53368 0.00615 -0.45763
|
|
323 12D+2 0.65222 -0.45181 0.83719 0.02688 0.22218
|
|
324 12D-2 -0.35766 -0.62746 0.01276 0.30823 0.05223
|
|
325 13F 0 -0.00400 -0.04215 0.00444 0.01563 0.00017
|
|
326 13F+1 -0.03486 0.05383 0.00161 0.03516 0.01261
|
|
327 13F-1 0.01297 0.02286 0.00627 -0.00986 0.01341
|
|
328 13F+2 0.02998 -0.00286 -0.02655 0.00544 -0.01145
|
|
329 13F-2 -0.00059 0.00245 0.00685 0.00603 0.02138
|
|
330 13F+3 0.03470 0.00512 -0.02553 -0.01938 -0.02863
|
|
331 13F-3 0.00860 -0.01486 -0.00105 0.00578 0.02033
|
|
332 14F 0 0.00558 0.01996 0.00033 -0.03649 -0.10006
|
|
333 14F+1 0.65953 -0.72370 -0.25100 -0.21258 -0.19853
|
|
334 14F-1 -0.16045 -0.37100 0.12216 0.24098 -0.03280
|
|
335 14F+2 -0.19458 0.11771 -0.03946 -0.08268 -0.04837
|
|
336 14F-2 0.15793 0.21292 -0.06806 -0.04534 -0.25205
|
|
337 14F+3 -0.32914 -0.14493 0.17289 0.20910 0.27342
|
|
338 14F-3 -0.04290 0.31243 -0.04973 -0.14986 -0.29220
|
|
339 15G 0 0.00477 0.00996 -0.00166 0.00001 0.01385
|
|
340 15G+1 -0.00110 0.01186 0.00480 -0.00178 0.00476
|
|
341 15G-1 0.00235 0.01479 -0.00739 0.00140 -0.00119
|
|
342 15G+2 -0.00511 -0.00199 0.01308 -0.00206 0.00929
|
|
343 15G-2 -0.00346 0.00370 0.00212 0.00944 0.00631
|
|
344 15G+3 0.00438 0.00086 0.00914 0.00014 0.00688
|
|
345 15G-3 -0.00215 -0.00778 0.00713 0.00887 -0.00248
|
|
346 15G+4 -0.00109 0.00242 0.00489 -0.00070 0.00241
|
|
347 15G-4 -0.00206 -0.00085 -0.00088 0.00044 0.00150
|
|
348 6 H 1S -0.00267 -0.00167 -0.00336 0.00183 0.01317
|
|
349 2S -0.39496 0.28566 0.19720 -0.13276 -0.26630
|
|
350 3S -3.03336 -2.93254 0.50455 -6.53068 -3.07945
|
|
351 4S -1.47823 -0.65882 0.80779 0.89236 -1.42795
|
|
352 5S -0.00503 -0.07879 0.19720 0.01525 -0.07088
|
|
353 6PX 0.01717 0.05104 0.08220 -0.05136 0.03718
|
|
354 6PY 0.01336 0.01905 -0.03239 0.01220 0.06559
|
|
355 6PZ 0.04124 0.06484 -0.00555 0.05141 0.05463
|
|
356 7PX -0.19947 -0.43282 -0.69879 0.38026 -0.26255
|
|
357 7PY -0.12204 -0.17363 0.26703 -0.12185 -0.53174
|
|
358 7PZ -0.26219 -0.55151 0.07859 -0.32572 -0.46808
|
|
359 8PX 1.89144 1.38739 1.31736 0.61370 0.12530
|
|
360 8PY 0.60240 1.11990 -0.99405 0.87541 1.17491
|
|
361 8PZ -1.75871 0.73284 0.00883 -2.29375 -0.54337
|
|
362 9PX 0.49625 0.89447 0.81686 -0.36229 0.55665
|
|
363 9PY 0.87463 0.58196 -1.15511 -0.15022 0.79638
|
|
364 9PZ -0.49608 0.72597 0.16740 0.27298 -0.00961
|
|
365 10D 0 0.06567 0.04217 0.01773 0.06368 0.03888
|
|
366 10D+1 -0.03884 0.03333 -0.00766 -0.08092 0.05823
|
|
367 10D-1 0.01842 0.01777 0.00678 -0.04891 0.02368
|
|
368 10D+2 0.02510 -0.00542 -0.07297 0.02557 -0.00689
|
|
369 10D-2 0.01778 0.06537 0.01366 -0.01305 -0.07134
|
|
370 11D 0 -0.60281 -0.31269 -0.10365 -0.66699 -0.43033
|
|
371 11D+1 0.40305 -0.16564 0.02601 0.80123 -0.39334
|
|
372 11D-1 -0.08872 -0.04942 -0.11518 0.49353 -0.11091
|
|
373 11D+2 -0.23611 0.04461 0.51979 -0.21695 0.06609
|
|
374 11D-2 -0.16194 -0.52561 -0.06766 0.02295 0.52859
|
|
375 12D 0 -0.03991 1.40036 0.02596 0.18455 0.59614
|
|
376 12D+1 1.12519 -0.32136 0.74588 -0.77349 0.11812
|
|
377 12D-1 0.33729 -0.12119 -0.53368 -0.00615 0.45763
|
|
378 12D+2 0.65222 -0.45181 -0.83719 0.02688 0.22218
|
|
379 12D-2 -0.35766 -0.62746 -0.01276 0.30823 0.05223
|
|
380 13F 0 0.00400 0.04215 0.00444 -0.01563 -0.00017
|
|
381 13F+1 -0.03486 0.05383 -0.00161 0.03516 0.01261
|
|
382 13F-1 0.01297 0.02286 -0.00627 -0.00986 0.01341
|
|
383 13F+2 -0.02998 0.00286 -0.02655 -0.00544 0.01145
|
|
384 13F-2 0.00059 -0.00245 0.00685 -0.00603 -0.02138
|
|
385 13F+3 0.03470 0.00512 0.02553 -0.01938 -0.02863
|
|
386 13F-3 0.00860 -0.01486 0.00105 0.00578 0.02033
|
|
387 14F 0 -0.00558 -0.01996 0.00033 0.03649 0.10006
|
|
388 14F+1 0.65953 -0.72370 0.25100 -0.21258 -0.19853
|
|
389 14F-1 -0.16045 -0.37100 -0.12216 0.24098 -0.03280
|
|
390 14F+2 0.19458 -0.11771 -0.03946 0.08268 0.04837
|
|
391 14F-2 -0.15793 -0.21292 -0.06806 0.04534 0.25205
|
|
392 14F+3 -0.32914 -0.14493 -0.17289 0.20910 0.27342
|
|
393 14F-3 -0.04290 0.31243 0.04973 -0.14986 -0.29220
|
|
394 15G 0 0.00477 0.00996 0.00166 0.00001 0.01385
|
|
395 15G+1 0.00110 -0.01186 0.00480 0.00178 -0.00476
|
|
396 15G-1 -0.00235 -0.01479 -0.00739 -0.00140 0.00119
|
|
397 15G+2 -0.00511 -0.00199 -0.01308 -0.00206 0.00929
|
|
398 15G-2 -0.00346 0.00370 -0.00212 0.00944 0.00631
|
|
399 15G+3 -0.00438 -0.00086 0.00914 -0.00014 -0.00688
|
|
400 15G-3 0.00215 0.00778 0.00713 -0.00887 0.00248
|
|
401 15G+4 -0.00109 0.00242 -0.00489 -0.00070 0.00241
|
|
402 15G-4 -0.00206 -0.00085 0.00088 0.00044 0.00150
|
|
186 187 188 189 190
|
|
V V V V V
|
|
Eigenvalues -- 6.35546 6.40599 6.45066 6.52532 6.61698
|
|
1 1 C 1S 0.00000 0.03819 -0.02618 0.00000 0.00000
|
|
2 2S 0.00000 -0.11435 0.09567 0.00000 0.00000
|
|
3 3S 0.00000 0.30703 0.22511 0.00000 0.00000
|
|
4 4S 0.00000 -4.94188 -3.56119 0.00000 0.00000
|
|
5 5S 0.00000 11.52626 9.35013 0.00000 0.00000
|
|
6 6S 0.00000 1.70412 -1.03971 0.00000 0.00000
|
|
7 7PX 0.00000 0.01880 0.00976 0.00000 0.00000
|
|
8 7PY 0.00000 -0.04791 0.00208 0.00000 0.00000
|
|
9 7PZ 0.01947 0.00000 0.00000 0.04316 0.04659
|
|
10 8PX 0.00000 0.51104 -0.08581 0.00000 0.00000
|
|
11 8PY 0.00000 -0.55525 -1.66791 0.00000 0.00000
|
|
12 8PZ -1.09356 0.00000 0.00000 -2.04456 -0.50637
|
|
13 9PX 0.00000 -2.37681 -2.50612 0.00000 0.00000
|
|
14 9PY 0.00000 -1.03940 9.71500 0.00000 0.00000
|
|
15 9PZ 8.41726 0.00000 0.00000 9.95119 2.93444
|
|
16 10PX 0.00000 -0.16827 0.61811 0.00000 0.00000
|
|
17 10PY 0.00000 -0.66010 3.15977 0.00000 0.00000
|
|
18 10PZ 2.03764 0.00000 0.00000 6.39543 1.52127
|
|
19 11PX 0.00000 -0.18962 -0.20815 0.00000 0.00000
|
|
20 11PY 0.00000 0.00332 0.17337 0.00000 0.00000
|
|
21 11PZ 0.17450 0.00000 0.00000 0.03499 -0.00034
|
|
22 12D 0 0.00000 0.02646 0.01821 0.00000 0.00000
|
|
23 12D+1 -0.02250 0.00000 0.00000 0.00628 -0.01378
|
|
24 12D-1 -0.02814 0.00000 0.00000 -0.02960 -0.01943
|
|
25 12D+2 0.00000 0.02765 0.02525 0.00000 0.00000
|
|
26 12D-2 0.00000 0.02793 -0.01514 0.00000 0.00000
|
|
27 13D 0 0.00000 -0.05963 -0.07263 0.00000 0.00000
|
|
28 13D+1 -0.41558 0.00000 0.00000 -0.04068 0.03577
|
|
29 13D-1 0.25861 0.00000 0.00000 -0.22695 0.16532
|
|
30 13D+2 0.00000 -0.66313 -0.21131 0.00000 0.00000
|
|
31 13D-2 0.00000 -0.69389 0.00172 0.00000 0.00000
|
|
32 14D 0 0.00000 0.85268 1.60137 0.00000 0.00000
|
|
33 14D+1 2.19739 0.00000 0.00000 3.73543 1.16825
|
|
34 14D-1 2.63587 0.00000 0.00000 3.65215 0.80316
|
|
35 14D+2 0.00000 1.20524 3.14471 0.00000 0.00000
|
|
36 14D-2 0.00000 1.61246 -0.92875 0.00000 0.00000
|
|
37 15D 0 0.00000 -0.24496 0.93911 0.00000 0.00000
|
|
38 15D+1 1.45667 0.00000 0.00000 1.24944 1.34641
|
|
39 15D-1 0.25857 0.00000 0.00000 1.39339 0.24054
|
|
40 15D+2 0.00000 0.64781 0.62076 0.00000 0.00000
|
|
41 15D-2 0.00000 0.90512 -0.96892 0.00000 0.00000
|
|
42 16F 0 0.00230 0.00000 0.00000 -0.02181 -0.02973
|
|
43 16F+1 0.00000 -0.01121 -0.09703 0.00000 0.00000
|
|
44 16F-1 0.00000 -0.01349 0.00255 0.00000 0.00000
|
|
45 16F+2 -0.00406 0.00000 0.00000 -0.02638 -0.01942
|
|
46 16F-2 -0.01314 0.00000 0.00000 -0.06481 -0.01116
|
|
47 16F+3 0.00000 0.00864 -0.01349 0.00000 0.00000
|
|
48 16F-3 0.00000 0.02724 -0.01908 0.00000 0.00000
|
|
49 17F 0 0.22582 0.00000 0.00000 0.30982 0.21596
|
|
50 17F+1 0.00000 -0.04991 1.03530 0.00000 0.00000
|
|
51 17F-1 0.00000 0.00846 -0.33982 0.00000 0.00000
|
|
52 17F+2 0.25152 0.00000 0.00000 0.47097 0.11361
|
|
53 17F-2 0.83474 0.00000 0.00000 0.47770 0.12777
|
|
54 17F+3 0.00000 0.02970 -0.03804 0.00000 0.00000
|
|
55 17F-3 0.00000 -0.13243 0.17740 0.00000 0.00000
|
|
56 18F 0 0.74166 0.00000 0.00000 0.15872 -0.51029
|
|
57 18F+1 0.00000 1.22053 1.27380 0.00000 0.00000
|
|
58 18F-1 0.00000 -0.42158 1.11687 0.00000 0.00000
|
|
59 18F+2 1.02360 0.00000 0.00000 -0.58927 -0.12340
|
|
60 18F-2 0.98801 0.00000 0.00000 1.25848 0.89024
|
|
61 18F+3 0.00000 -0.39918 -1.02407 0.00000 0.00000
|
|
62 18F-3 0.00000 0.29326 -0.62336 0.00000 0.00000
|
|
63 19G 0 0.00000 -0.03877 0.00530 0.00000 0.00000
|
|
64 19G+1 -0.06972 0.00000 0.00000 -0.06958 -0.02445
|
|
65 19G-1 0.01799 0.00000 0.00000 -0.05702 -0.01571
|
|
66 19G+2 0.00000 0.10204 -0.01357 0.00000 0.00000
|
|
67 19G-2 0.00000 -0.02848 -0.01065 0.00000 0.00000
|
|
68 19G+3 0.04218 0.00000 0.00000 -0.00389 0.03545
|
|
69 19G-3 0.03548 0.00000 0.00000 -0.05230 -0.01499
|
|
70 19G+4 0.00000 0.03536 0.04339 0.00000 0.00000
|
|
71 19G-4 0.00000 0.06064 -0.10371 0.00000 0.00000
|
|
72 20G 0 0.00000 1.05575 0.23169 0.00000 0.00000
|
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331 13F-3 0.00939 -0.00660 0.00926 0.01458 0.00576
|
|
332 14F 0 0.16173 0.02060 0.04335 -0.00327 -0.00646
|
|
333 14F+1 0.32285 -0.46486 -0.03334 -0.09826 0.05129
|
|
334 14F-1 -0.38050 -0.48689 -0.25614 -0.04193 -0.02640
|
|
335 14F+2 0.07733 0.00053 0.11805 0.03800 0.00315
|
|
336 14F-2 0.21606 0.06264 -0.01855 -0.02277 0.14322
|
|
337 14F+3 -0.30294 -0.25332 -0.00584 0.08310 -0.06300
|
|
338 14F-3 -0.07536 0.14266 0.00203 -0.09552 -0.03229
|
|
339 15G 0 0.00359 -0.00697 -0.00383 0.00460 0.00106
|
|
340 15G+1 -0.01512 0.00626 -0.00031 -0.00410 -0.00615
|
|
341 15G-1 0.00657 0.00169 0.00029 -0.00384 0.00291
|
|
342 15G+2 0.00333 0.00591 0.00234 -0.00654 -0.00133
|
|
343 15G-2 -0.00196 0.00247 0.00470 0.00335 0.00139
|
|
344 15G+3 0.00595 0.00881 -0.00332 -0.00102 0.00210
|
|
345 15G-3 0.00242 0.00151 -0.00826 -0.00002 -0.00001
|
|
346 15G+4 0.00643 0.00047 -0.00144 0.00653 0.00919
|
|
347 15G-4 0.00297 -0.00671 -0.00231 -0.00212 -0.00318
|
|
348 6 H 1S -0.01170 0.00177 0.00161 0.00747 0.00051
|
|
349 2S 0.28796 0.30954 -0.12327 0.29350 0.17914
|
|
350 3S 5.86685 -1.84029 -5.17822 7.71985 2.55945
|
|
351 4S 2.29543 -1.02701 -0.01416 4.94997 1.56019
|
|
352 5S 0.05058 0.00310 0.03258 -0.16222 -0.03201
|
|
353 6PX 0.03264 -0.05904 0.01518 0.02045 0.02184
|
|
354 6PY -0.01123 0.05381 -0.04654 0.09861 0.02887
|
|
355 6PZ 0.01331 -0.02023 0.03873 -0.02269 0.00050
|
|
356 7PX -0.21246 0.46899 -0.13561 -0.14230 -0.16610
|
|
357 7PY 0.11622 -0.44309 0.38144 -0.81506 -0.24262
|
|
358 7PZ -0.16368 0.13188 -0.30371 0.17030 -0.01451
|
|
359 8PX -1.53069 0.19081 1.25916 -1.77896 -0.40010
|
|
360 8PY -1.46041 0.60267 0.14448 -0.76150 -0.09876
|
|
361 8PZ 2.25156 0.18015 -1.16921 2.44601 0.97372
|
|
362 9PX -0.18066 -0.36520 0.49917 -1.19690 0.16339
|
|
363 9PY -0.72094 0.40926 -0.19418 -0.50118 -0.20692
|
|
364 9PZ 1.04185 -0.36560 0.31394 1.80567 0.75130
|
|
365 10D 0 0.02518 -0.04799 0.02742 0.03874 0.00761
|
|
366 10D+1 0.07778 -0.00815 -0.00089 0.00826 0.02040
|
|
367 10D-1 -0.04050 0.06154 -0.01909 0.06569 0.00764
|
|
368 10D+2 0.05081 0.05653 -0.01724 0.02898 0.00236
|
|
369 10D-2 -0.03679 0.04837 0.04107 -0.03090 -0.02935
|
|
370 11D 0 -0.13075 0.40089 -0.33418 -0.19174 -0.05696
|
|
371 11D+1 -0.73944 0.12114 0.13412 -0.26314 -0.21831
|
|
372 11D-1 0.19907 -0.50188 0.26839 -0.67575 -0.09800
|
|
373 11D+2 -0.33776 -0.48263 0.13904 -0.20185 0.00479
|
|
374 11D-2 0.35011 -0.38033 -0.35857 0.34824 0.27856
|
|
375 12D 0 0.50811 0.16480 0.34941 0.40667 0.27683
|
|
376 12D+1 -0.37645 -0.53993 0.17823 -0.45093 -0.11627
|
|
377 12D-1 -0.20710 -0.11747 -0.61162 0.18476 -0.04073
|
|
378 12D+2 -0.13059 0.52264 -0.35194 0.32922 -0.09233
|
|
379 12D-2 0.44227 -0.34719 0.25640 0.00501 -0.09774
|
|
380 13F 0 -0.01591 0.00830 -0.00086 -0.00086 -0.00077
|
|
381 13F+1 0.00566 0.03196 0.01087 -0.02357 -0.00177
|
|
382 13F-1 -0.03488 0.03213 0.02497 -0.01054 -0.00045
|
|
383 13F+2 -0.00666 0.00261 0.00058 0.00828 0.00296
|
|
384 13F-2 -0.00141 -0.00011 -0.00465 0.01115 -0.00812
|
|
385 13F+3 -0.01939 0.01560 0.00489 0.00817 0.00005
|
|
386 13F-3 -0.00939 -0.00660 0.00926 -0.01458 -0.00576
|
|
387 14F 0 0.16173 -0.02060 -0.04335 -0.00327 -0.00646
|
|
388 14F+1 -0.32285 -0.46486 -0.03334 0.09826 -0.05129
|
|
389 14F-1 0.38050 -0.48689 -0.25614 0.04193 0.02640
|
|
390 14F+2 0.07733 -0.00053 -0.11805 0.03800 0.00315
|
|
391 14F-2 0.21606 -0.06264 0.01855 -0.02277 0.14322
|
|
392 14F+3 0.30294 -0.25332 -0.00584 -0.08310 0.06300
|
|
393 14F-3 0.07536 0.14266 0.00203 0.09552 0.03229
|
|
394 15G 0 -0.00359 -0.00697 -0.00383 -0.00460 -0.00106
|
|
395 15G+1 -0.01512 -0.00626 0.00031 -0.00410 -0.00615
|
|
396 15G-1 0.00657 -0.00169 -0.00029 -0.00384 0.00291
|
|
397 15G+2 -0.00333 0.00591 0.00234 0.00654 0.00133
|
|
398 15G-2 0.00196 0.00247 0.00470 -0.00335 -0.00139
|
|
399 15G+3 0.00595 -0.00881 0.00332 -0.00102 0.00210
|
|
400 15G-3 0.00242 -0.00151 0.00826 -0.00002 -0.00001
|
|
401 15G+4 -0.00643 0.00047 -0.00144 -0.00653 -0.00919
|
|
402 15G-4 -0.00297 -0.00671 -0.00231 0.00212 0.00318
|
|
191 192 193 194 195
|
|
V V V V V
|
|
Eigenvalues -- 6.70689 6.77433 6.79472 6.90984 6.93798
|
|
1 1 C 1S -0.00090 -0.01226 -0.00202 0.00381 0.00000
|
|
2 2S 0.07479 0.01751 0.07274 0.02827 0.00000
|
|
3 3S 0.69982 -0.12775 0.49919 0.42472 0.00000
|
|
4 4S -7.02033 1.58605 -5.83134 -2.75096 0.00000
|
|
5 5S 12.67839 -0.79730 14.35000 3.69749 0.00000
|
|
6 6S 0.87948 -0.85382 0.03356 -0.10219 0.00000
|
|
7 7PX -0.00719 -0.07139 0.04107 0.02930 0.00000
|
|
8 7PY 0.01172 -0.18103 0.01652 -0.12004 0.00000
|
|
9 7PZ 0.00000 0.00000 0.00000 0.00000 0.01161
|
|
10 8PX 0.82950 1.45392 -0.89683 0.07479 0.00000
|
|
11 8PY -1.20546 -0.71030 -0.33331 -0.81562 0.00000
|
|
12 8PZ 0.00000 0.00000 0.00000 0.00000 0.24995
|
|
13 9PX -2.87836 -9.53726 3.04539 -1.07492 0.00000
|
|
14 9PY 5.28547 3.33607 1.62964 2.52696 0.00000
|
|
15 9PZ 0.00000 0.00000 0.00000 0.00000 -2.31089
|
|
16 10PX -1.89060 -5.73388 4.54221 0.05654 0.00000
|
|
17 10PY -0.86475 1.50738 -0.09539 1.89580 0.00000
|
|
18 10PZ 0.00000 0.00000 0.00000 0.00000 -0.69148
|
|
19 11PX 0.06751 -0.03336 -0.09850 -0.00336 0.00000
|
|
20 11PY -0.13115 0.09071 0.14936 -0.04616 0.00000
|
|
21 11PZ 0.00000 0.00000 0.00000 0.00000 -0.16147
|
|
22 12D 0 0.01177 0.03325 0.00383 0.04267 0.00000
|
|
23 12D+1 0.00000 0.00000 0.00000 0.00000 0.01483
|
|
24 12D-1 0.00000 0.00000 0.00000 0.00000 0.01986
|
|
25 12D+2 0.00649 0.04419 -0.02087 0.04828 0.00000
|
|
26 12D-2 0.02867 0.00915 -0.02006 0.02082 0.00000
|
|
27 13D 0 -0.07680 -0.63173 -0.05493 -0.40574 0.00000
|
|
28 13D+1 0.00000 0.00000 0.00000 0.00000 -0.01768
|
|
29 13D-1 0.00000 0.00000 0.00000 0.00000 -0.11922
|
|
30 13D+2 -0.11556 -0.68006 -0.05291 -0.50311 0.00000
|
|
31 13D-2 0.14929 0.21932 0.04454 -0.09683 0.00000
|
|
32 14D 0 -0.39292 -1.73400 1.19012 0.26533 0.00000
|
|
33 14D+1 0.00000 0.00000 0.00000 0.00000 -0.58803
|
|
34 14D-1 0.00000 0.00000 0.00000 0.00000 2.47597
|
|
35 14D+2 2.67219 5.09212 0.39499 0.10684 0.00000
|
|
36 14D-2 -0.64543 -4.90291 0.28003 3.59850 0.00000
|
|
37 15D 0 -0.88751 0.06220 1.14751 0.36093 0.00000
|
|
38 15D+1 0.00000 0.00000 0.00000 0.00000 -0.34731
|
|
39 15D-1 0.00000 0.00000 0.00000 0.00000 0.75764
|
|
40 15D+2 0.64081 1.60684 -0.49734 0.27951 0.00000
|
|
41 15D-2 -0.97572 -2.33854 -0.29404 0.98638 0.00000
|
|
42 16F 0 0.00000 0.00000 0.00000 0.00000 0.12059
|
|
43 16F+1 -0.08854 0.00658 -0.03120 0.00073 0.00000
|
|
44 16F-1 -0.00046 0.05292 -0.04134 -0.08759 0.00000
|
|
45 16F+2 0.00000 0.00000 0.00000 0.00000 -0.04965
|
|
46 16F-2 0.00000 0.00000 0.00000 0.00000 -0.05774
|
|
47 16F+3 -0.01187 0.06625 0.01108 0.07033 0.00000
|
|
48 16F-3 -0.06160 -0.02734 -0.01123 0.04181 0.00000
|
|
49 17F 0 0.00000 0.00000 0.00000 0.00000 -1.55296
|
|
50 17F+1 0.74224 -0.06326 0.39836 -0.27110 0.00000
|
|
51 17F-1 -0.06123 -0.79147 0.27847 0.66652 0.00000
|
|
52 17F+2 0.00000 0.00000 0.00000 0.00000 0.46875
|
|
53 17F-2 0.00000 0.00000 0.00000 0.00000 0.55398
|
|
54 17F+3 -0.13763 -1.02396 -0.05773 -0.70102 0.00000
|
|
55 17F-3 0.51886 -0.10612 0.46249 -0.71478 0.00000
|
|
56 18F 0 0.00000 0.00000 0.00000 0.00000 -2.47279
|
|
57 18F+1 1.05877 0.99102 1.31337 0.07002 0.00000
|
|
58 18F-1 1.27847 -1.87342 1.42622 0.25353 0.00000
|
|
59 18F+2 0.00000 0.00000 0.00000 0.00000 0.59433
|
|
60 18F-2 0.00000 0.00000 0.00000 0.00000 0.70538
|
|
61 18F+3 -0.90155 -0.25081 -1.30658 -0.89664 0.00000
|
|
62 18F-3 0.11538 -0.20939 0.11084 -0.36158 0.00000
|
|
63 19G 0 -0.00657 0.01889 -0.00488 0.03382 0.00000
|
|
64 19G+1 0.00000 0.00000 0.00000 0.00000 -0.02178
|
|
65 19G-1 0.00000 0.00000 0.00000 0.00000 -0.01955
|
|
66 19G+2 0.05286 0.05865 -0.02520 -0.02163 0.00000
|
|
67 19G-2 0.03238 -0.03119 0.00441 0.00010 0.00000
|
|
68 19G+3 0.00000 0.00000 0.00000 0.00000 -0.02329
|
|
69 19G-3 0.00000 0.00000 0.00000 0.00000 0.09928
|
|
70 19G+4 -0.03743 0.02337 0.01146 0.00152 0.00000
|
|
71 19G-4 0.01888 0.00124 -0.03726 0.08612 0.00000
|
|
72 20G 0 0.08695 0.18936 0.03993 -0.75593 0.00000
|
|
73 20G+1 0.00000 0.00000 0.00000 0.00000 -0.34257
|
|
74 20G-1 0.00000 0.00000 0.00000 0.00000 -0.76385
|
|
75 20G+2 -0.64084 -0.83981 0.34172 -0.48853 0.00000
|
|
76 20G-2 0.10315 0.07483 0.30291 -0.36935 0.00000
|
|
77 20G+3 0.00000 0.00000 0.00000 0.00000 -0.24151
|
|
78 20G-3 0.00000 0.00000 0.00000 0.00000 0.06362
|
|
79 20G+4 -0.05592 -0.14891 -0.27600 0.51204 0.00000
|
|
80 20G-4 0.06444 -0.46075 0.23638 -0.66467 0.00000
|
|
81 21H 0 0.00000 0.00000 0.00000 0.00000 0.02764
|
|
82 21H+1 -0.01664 -0.04175 0.01964 -0.06862 0.00000
|
|
83 21H-1 -0.04064 0.06087 -0.03165 -0.01716 0.00000
|
|
84 21H+2 0.00000 0.00000 0.00000 0.00000 -0.03568
|
|
85 21H-2 0.00000 0.00000 0.00000 0.00000 -0.01864
|
|
86 21H+3 0.03024 0.02442 -0.00831 -0.05320 0.00000
|
|
87 21H-3 0.01765 -0.00633 0.04911 0.01867 0.00000
|
|
88 21H+4 0.00000 0.00000 0.00000 0.00000 -0.13039
|
|
89 21H-4 0.00000 0.00000 0.00000 0.00000 -0.07500
|
|
90 21H+5 0.00779 0.12007 0.00195 -0.06328 0.00000
|
|
91 21H-5 0.06925 0.07455 0.03761 0.04502 0.00000
|
|
92 2 O 1S 0.00580 0.00129 0.03507 0.00339 0.00000
|
|
93 2S 0.03544 0.04607 0.03271 0.00512 0.00000
|
|
94 3S 0.25722 0.34981 0.59994 0.09983 0.00000
|
|
95 4S -0.90731 -3.43662 -1.17052 -1.24745 0.00000
|
|
96 5S -2.38095 12.91351 -11.43874 4.66108 0.00000
|
|
97 6S 1.14883 5.86702 -4.70946 1.37007 0.00000
|
|
98 7PX 0.01128 -0.01161 -0.03740 -0.04063 0.00000
|
|
99 7PY 0.02018 -0.04627 0.01887 -0.03493 0.00000
|
|
100 7PZ 0.00000 0.00000 0.00000 0.00000 -0.00837
|
|
101 8PX 0.14341 -0.77284 -0.00764 -0.52050 0.00000
|
|
102 8PY -0.06235 -0.73019 0.00558 -0.45178 0.00000
|
|
103 8PZ 0.00000 0.00000 0.00000 0.00000 -0.09336
|
|
104 9PX -1.63536 2.99644 -4.37875 1.59365 0.00000
|
|
105 9PY 0.74731 2.15598 1.72483 1.18446 0.00000
|
|
106 9PZ 0.00000 0.00000 0.00000 0.00000 0.22757
|
|
107 10PX 1.11815 4.46820 -5.60224 2.49880 0.00000
|
|
108 10PY 2.65428 -1.31677 -0.27637 -1.15629 0.00000
|
|
109 10PZ 0.00000 0.00000 0.00000 0.00000 1.06071
|
|
110 11PX 0.32435 0.14412 -1.04582 0.18852 0.00000
|
|
111 11PY 0.36435 0.15503 0.17393 0.02779 0.00000
|
|
112 11PZ 0.00000 0.00000 0.00000 0.00000 0.28870
|
|
113 12D 0 -0.00920 -0.02364 -0.02026 0.00083 0.00000
|
|
114 12D+1 0.00000 0.00000 0.00000 0.00000 -0.00060
|
|
115 12D-1 0.00000 0.00000 0.00000 0.00000 -0.00553
|
|
116 12D+2 0.00665 -0.00725 0.02960 -0.00470 0.00000
|
|
117 12D-2 -0.01896 -0.01636 -0.01452 -0.00039 0.00000
|
|
118 13D 0 -0.01754 0.12683 0.08189 -0.04604 0.00000
|
|
119 13D+1 0.00000 0.00000 0.00000 0.00000 0.01507
|
|
120 13D-1 0.00000 0.00000 0.00000 0.00000 0.15479
|
|
121 13D+2 -0.03758 0.01351 -0.02385 0.03674 0.00000
|
|
122 13D-2 0.05473 0.02111 -0.03799 0.16067 0.00000
|
|
123 14D 0 -0.12840 -1.44820 1.06606 -0.46715 0.00000
|
|
124 14D+1 0.00000 0.00000 0.00000 0.00000 0.17215
|
|
125 14D-1 0.00000 0.00000 0.00000 0.00000 0.16513
|
|
126 14D+2 -0.10011 0.18308 -1.07729 0.17884 0.00000
|
|
127 14D-2 0.22757 -1.08395 1.19918 0.21598 0.00000
|
|
128 15D 0 -0.37919 -1.38742 0.69346 -0.44671 0.00000
|
|
129 15D+1 0.00000 0.00000 0.00000 0.00000 0.62983
|
|
130 15D-1 0.00000 0.00000 0.00000 0.00000 0.82062
|
|
131 15D+2 -0.32132 1.39414 -0.74685 0.95686 0.00000
|
|
132 15D-2 1.81129 -2.73777 -1.25692 -0.02837 0.00000
|
|
133 16F 0 0.00000 0.00000 0.00000 0.00000 0.01183
|
|
134 16F+1 0.02857 0.00864 -0.05672 0.01440 0.00000
|
|
135 16F-1 0.02634 -0.03230 0.02620 -0.00770 0.00000
|
|
136 16F+2 0.00000 0.00000 0.00000 0.00000 0.00382
|
|
137 16F-2 0.00000 0.00000 0.00000 0.00000 0.00916
|
|
138 16F+3 0.00031 0.01713 0.00918 0.00714 0.00000
|
|
139 16F-3 -0.03228 0.00866 -0.03323 0.00081 0.00000
|
|
140 17F 0 0.00000 0.00000 0.00000 0.00000 -0.09583
|
|
141 17F+1 -0.21024 -0.04818 0.64568 -0.13886 0.00000
|
|
142 17F-1 -0.22132 0.31605 -0.28429 0.09538 0.00000
|
|
143 17F+2 0.00000 0.00000 0.00000 0.00000 -0.04611
|
|
144 17F-2 0.00000 0.00000 0.00000 0.00000 -0.07270
|
|
145 17F+3 -0.08532 -0.17359 -0.18256 -0.06677 0.00000
|
|
146 17F-3 0.30417 0.03886 0.44497 0.01097 0.00000
|
|
147 18F 0 0.00000 0.00000 0.00000 0.00000 -0.23333
|
|
148 18F+1 -0.44285 -0.39642 -0.02904 -0.27104 0.00000
|
|
149 18F-1 -0.11797 -0.12091 0.26711 -0.29837 0.00000
|
|
150 18F+2 0.00000 0.00000 0.00000 0.00000 -0.09359
|
|
151 18F-2 0.00000 0.00000 0.00000 0.00000 0.52028
|
|
152 18F+3 0.10334 1.01223 0.41799 -0.11154 0.00000
|
|
153 18F-3 -0.26939 -1.41646 -0.47857 0.13085 0.00000
|
|
154 19G 0 -0.01708 0.03047 0.02100 -0.01687 0.00000
|
|
155 19G+1 0.00000 0.00000 0.00000 0.00000 -0.00133
|
|
156 19G-1 0.00000 0.00000 0.00000 0.00000 0.04529
|
|
157 19G+2 0.02077 -0.00342 -0.01472 -0.00447 0.00000
|
|
158 19G-2 0.03608 -0.02767 -0.01227 0.06556 0.00000
|
|
159 19G+3 0.00000 0.00000 0.00000 0.00000 -0.03159
|
|
160 19G-3 0.00000 0.00000 0.00000 0.00000 -0.00943
|
|
161 19G+4 -0.00775 0.01056 0.00982 0.02057 0.00000
|
|
162 19G-4 -0.00114 0.00504 -0.00372 0.00015 0.00000
|
|
163 20G 0 0.14910 -0.21127 -0.31550 0.21842 0.00000
|
|
164 20G+1 0.00000 0.00000 0.00000 0.00000 -0.01433
|
|
165 20G-1 0.00000 0.00000 0.00000 0.00000 -0.45551
|
|
166 20G+2 -0.22171 -0.01777 0.29419 0.02302 0.00000
|
|
167 20G-2 -0.42944 0.34867 0.01616 -0.64317 0.00000
|
|
168 20G+3 0.00000 0.00000 0.00000 0.00000 0.36290
|
|
169 20G-3 0.00000 0.00000 0.00000 0.00000 0.06571
|
|
170 20G+4 0.20597 -0.08065 -0.16524 -0.17984 0.00000
|
|
171 20G-4 0.07970 -0.25068 0.28591 -0.06247 0.00000
|
|
172 21H 0 0.00000 0.00000 0.00000 0.00000 0.00869
|
|
173 21H+1 0.00611 0.01081 0.00940 -0.00046 0.00000
|
|
174 21H-1 0.00874 0.00364 -0.00583 0.00408 0.00000
|
|
175 21H+2 0.00000 0.00000 0.00000 0.00000 0.00169
|
|
176 21H-2 0.00000 0.00000 0.00000 0.00000 -0.00104
|
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177 21H+3 -0.01302 -0.00730 -0.01000 -0.00219 0.00000
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178 21H-3 0.00004 0.02468 0.01103 0.00679 0.00000
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179 21H+4 0.00000 0.00000 0.00000 0.00000 0.00622
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180 21H-4 0.00000 0.00000 0.00000 0.00000 0.00215
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181 21H+5 0.02338 -0.01904 -0.00340 0.01175 0.00000
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182 21H-5 -0.00549 -0.02120 -0.01289 -0.00257 0.00000
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183 3 H 1S 0.00335 -0.02707 0.01549 0.00759 0.00000
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184 2S 0.07806 -0.21103 0.28284 -0.26173 0.00000
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185 3S -7.40483 -10.85095 -1.67777 0.35009 0.00000
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186 4S -2.45849 -5.87855 2.60748 -0.06851 0.00000
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187 5S 0.17457 0.17102 -0.36770 0.04972 0.00000
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188 6PX 0.03407 0.04808 -0.02848 0.02540 0.00000
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189 6PY -0.04706 -0.07194 0.07675 0.06585 0.00000
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190 6PZ 0.00000 0.00000 0.00000 0.00000 -0.11834
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191 7PX -0.25840 -0.32070 0.29743 -0.30354 0.00000
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192 7PY 0.40626 0.61165 -0.67166 -0.60930 0.00000
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193 7PZ 0.00000 0.00000 0.00000 0.00000 1.09624
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194 8PX -2.36594 -4.60765 -0.61874 1.23686 0.00000
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195 8PY 0.72357 0.60321 0.92131 2.18689 0.00000
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196 8PZ 0.00000 0.00000 0.00000 0.00000 -2.45735
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197 9PX -0.72520 -2.88424 0.67141 0.23802 0.00000
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198 9PY -0.00308 0.06845 -0.25503 0.87570 0.00000
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199 9PZ 0.00000 0.00000 0.00000 0.00000 -1.09441
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200 10D 0 -0.04147 -0.02225 -0.00304 0.04836 0.00000
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201 10D+1 0.00000 0.00000 0.00000 0.00000 0.01602
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202 10D-1 0.00000 0.00000 0.00000 0.00000 0.00179
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203 10D+2 -0.02186 0.00991 0.01460 -0.05183 0.00000
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204 10D-2 -0.02876 -0.06064 0.03058 -0.04585 0.00000
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205 11D 0 0.47962 0.33761 0.03279 -0.34536 0.00000
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206 11D+1 0.00000 0.00000 0.00000 0.00000 -0.10541
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207 11D-1 0.00000 0.00000 0.00000 0.00000 -0.03905
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208 11D+2 -0.05804 -0.37773 -0.10400 0.37543 0.00000
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209 11D-2 0.36480 0.58104 -0.27213 0.39115 0.00000
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210 12D 0 -0.41069 0.61839 -0.12132 -0.34685 0.00000
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211 12D+1 0.00000 0.00000 0.00000 0.00000 -1.48019
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212 12D-1 0.00000 0.00000 0.00000 0.00000 0.44677
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|
213 12D+2 -0.01176 -0.91117 0.13974 0.71559 0.00000
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214 12D-2 -0.81259 -0.32874 0.19369 1.13692 0.00000
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215 13F 0 0.00000 0.00000 0.00000 0.00000 -0.00928
|
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216 13F+1 0.02932 0.01475 0.00763 0.01748 0.00000
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217 13F-1 0.00832 -0.00458 -0.00009 0.00473 0.00000
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218 13F+2 0.00000 0.00000 0.00000 0.00000 0.00630
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219 13F-2 0.00000 0.00000 0.00000 0.00000 0.00471
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220 13F+3 -0.02237 -0.01575 0.00284 0.00404 0.00000
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|
221 13F-3 0.05107 0.01381 0.00809 -0.00029 0.00000
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222 14F 0 0.00000 0.00000 0.00000 0.00000 0.49610
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223 14F+1 -0.31782 0.09568 -0.10322 -0.36678 0.00000
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|
224 14F-1 -0.02540 0.06001 -0.06029 -0.08818 0.00000
|
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225 14F+2 0.00000 0.00000 0.00000 0.00000 -0.34015
|
|
226 14F-2 0.00000 0.00000 0.00000 0.00000 0.09075
|
|
227 14F+3 -0.03559 -0.16580 -0.06171 0.33148 0.00000
|
|
228 14F-3 -0.60494 -0.13312 -0.07737 0.43829 0.00000
|
|
229 15G 0 -0.00171 -0.00345 0.00345 0.01210 0.00000
|
|
230 15G+1 0.00000 0.00000 0.00000 0.00000 0.00949
|
|
231 15G-1 0.00000 0.00000 0.00000 0.00000 -0.00194
|
|
232 15G+2 0.00498 -0.00225 0.00116 -0.00720 0.00000
|
|
233 15G-2 0.01314 -0.00093 0.00114 0.00005 0.00000
|
|
234 15G+3 0.00000 0.00000 0.00000 0.00000 -0.01095
|
|
235 15G-3 0.00000 0.00000 0.00000 0.00000 0.01415
|
|
236 15G+4 -0.00542 -0.00361 0.00206 0.01948 0.00000
|
|
237 15G-4 -0.00343 -0.00071 -0.00303 0.01826 0.00000
|
|
238 4 H 1S 0.02344 -0.01936 -0.04666 -0.03361 0.00000
|
|
239 2S -0.41482 -0.46652 -1.54586 0.42069 0.00000
|
|
240 3S 1.72650 -9.71069 10.62032 -4.29711 0.00000
|
|
241 4S -1.07058 -2.64658 4.02744 -0.20468 0.00000
|
|
242 5S 0.08508 0.02158 -0.01241 -0.09092 0.00000
|
|
243 6PX -0.05995 -0.08333 -0.10626 -0.00474 0.00000
|
|
244 6PY -0.11978 0.04904 0.00104 0.04530 0.00000
|
|
245 6PZ 0.00000 0.00000 0.00000 0.00000 -0.03854
|
|
246 7PX 0.69568 0.55828 1.41922 -0.09585 0.00000
|
|
247 7PY 1.09308 -0.43679 -0.16117 -0.37246 0.00000
|
|
248 7PZ 0.00000 0.00000 0.00000 0.00000 0.36179
|
|
249 8PX -2.24897 4.08134 -7.80581 1.74686 0.00000
|
|
250 8PY -1.94172 -0.16469 2.63479 -0.59767 0.00000
|
|
251 8PZ 0.00000 0.00000 0.00000 0.00000 -0.59490
|
|
252 9PX -0.59968 1.79571 -2.61542 0.47412 0.00000
|
|
253 9PY -1.32815 -0.40603 0.51758 0.19321 0.00000
|
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254 9PZ 0.00000 0.00000 0.00000 0.00000 -0.35030
|
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255 10D 0 0.00661 -0.00237 0.12020 -0.03974 0.00000
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256 10D+1 0.00000 0.00000 0.00000 0.00000 0.01392
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257 10D-1 0.00000 0.00000 0.00000 0.00000 0.02996
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258 10D+2 -0.01855 0.05657 -0.07625 -0.03419 0.00000
|
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259 10D-2 0.03360 -0.01117 0.06123 -0.06786 0.00000
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260 11D 0 -0.03756 0.28777 -1.27069 0.33883 0.00000
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261 11D+1 0.00000 0.00000 0.00000 0.00000 -0.12740
|
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262 11D-1 0.00000 0.00000 0.00000 0.00000 -0.22007
|
|
263 11D+2 0.22808 -0.92463 1.02833 0.17385 0.00000
|
|
264 11D-2 -0.18428 0.32413 -0.87121 0.55309 0.00000
|
|
265 12D 0 -0.04270 0.04722 -1.13914 -0.13031 0.00000
|
|
266 12D+1 0.00000 0.00000 0.00000 0.00000 0.34633
|
|
267 12D-1 0.00000 0.00000 0.00000 0.00000 -0.56924
|
|
268 12D+2 1.88404 -0.56167 2.41051 -0.46546 0.00000
|
|
269 12D-2 0.58771 0.12929 -1.21976 -0.13523 0.00000
|
|
270 13F 0 0.00000 0.00000 0.00000 0.00000 -0.00007
|
|
271 13F+1 0.03067 -0.03153 0.01353 -0.01866 0.00000
|
|
272 13F-1 -0.02028 0.01209 -0.00956 -0.01166 0.00000
|
|
273 13F+2 0.00000 0.00000 0.00000 0.00000 -0.00777
|
|
274 13F-2 0.00000 0.00000 0.00000 0.00000 -0.01172
|
|
275 13F+3 -0.02776 0.05537 -0.01257 0.03397 0.00000
|
|
276 13F-3 -0.04751 -0.00792 0.05813 -0.02034 0.00000
|
|
277 14F 0 0.00000 0.00000 0.00000 0.00000 0.12884
|
|
278 14F+1 0.05943 0.10082 0.93503 0.11645 0.00000
|
|
279 14F-1 0.27911 -0.03589 -0.21639 0.06195 0.00000
|
|
280 14F+2 0.00000 0.00000 0.00000 0.00000 0.17005
|
|
281 14F-2 0.00000 0.00000 0.00000 0.00000 0.44673
|
|
282 14F+3 -0.58789 0.08490 -0.86051 -0.05284 0.00000
|
|
283 14F-3 0.41037 -0.18954 0.72788 -0.03231 0.00000
|
|
284 15G 0 0.01328 -0.00102 0.02554 -0.00201 0.00000
|
|
285 15G+1 0.00000 0.00000 0.00000 0.00000 -0.00496
|
|
286 15G-1 0.00000 0.00000 0.00000 0.00000 0.00679
|
|
287 15G+2 -0.01247 0.00186 -0.03338 0.00212 0.00000
|
|
288 15G-2 0.00650 0.00178 0.02222 0.00327 0.00000
|
|
289 15G+3 0.00000 0.00000 0.00000 0.00000 -0.01604
|
|
290 15G-3 0.00000 0.00000 0.00000 0.00000 -0.02175
|
|
291 15G+4 0.05424 -0.02794 0.02437 -0.00622 0.00000
|
|
292 15G-4 0.00247 0.01297 -0.04825 0.01368 0.00000
|
|
293 5 H 1S 0.00252 0.00935 0.00460 -0.00933 -0.00523
|
|
294 2S 0.11345 -0.15619 0.15748 0.03216 0.08437
|
|
295 3S -3.40313 3.79146 -5.95952 -1.75343 -0.01773
|
|
296 4S 0.67482 2.41827 -1.57821 -0.62817 0.61542
|
|
297 5S -0.12399 -0.03931 0.14303 0.03440 0.04142
|
|
298 6PX -0.03741 -0.01301 -0.01491 0.02088 -0.10254
|
|
299 6PY 0.01585 0.05743 -0.00491 -0.09464 -0.08203
|
|
300 6PZ 0.00032 0.00896 -0.01320 -0.00366 0.08202
|
|
301 7PX 0.31208 0.13142 0.12265 -0.18102 0.94472
|
|
302 7PY -0.17189 -0.45965 0.02501 0.85622 0.74277
|
|
303 7PZ -0.02991 -0.01173 0.08879 0.03810 -0.76976
|
|
304 8PX 0.39349 -0.68459 0.48032 0.74160 -2.29208
|
|
305 8PY 0.18926 -0.04795 0.89843 -1.96504 -2.21302
|
|
306 8PZ 0.92502 -1.66364 1.48408 0.74078 2.05706
|
|
307 9PX -0.36638 -0.03587 0.24657 0.19837 -0.80140
|
|
308 9PY 0.39229 0.21508 0.24789 -0.62079 -0.98317
|
|
309 9PZ -0.27012 -1.40125 0.25041 0.32194 0.46570
|
|
310 10D 0 0.02833 -0.01613 0.02187 0.00506 0.05388
|
|
311 10D+1 0.01771 -0.01102 -0.00513 0.02448 -0.00294
|
|
312 10D-1 -0.02675 -0.04836 0.02418 -0.03190 -0.02160
|
|
313 10D+2 0.04664 0.01192 -0.00551 0.01339 0.00571
|
|
314 10D-2 0.01080 -0.02067 0.02086 -0.04161 -0.02487
|
|
315 11D 0 -0.26139 0.15585 -0.26230 -0.09531 -0.42998
|
|
316 11D+1 -0.21106 0.10069 -0.03116 -0.26236 0.02670
|
|
317 11D-1 0.18282 0.44774 -0.30985 0.23100 0.18894
|
|
318 11D+2 -0.37659 -0.14387 0.06348 -0.12296 -0.04513
|
|
319 11D-2 -0.10213 0.17639 -0.20954 0.32685 0.18934
|
|
320 12D 0 0.30556 0.47412 0.17361 -0.33884 -1.52305
|
|
321 12D+1 0.51337 -0.11492 0.26319 -0.26639 0.49912
|
|
322 12D-1 -0.15240 -0.05092 0.27965 1.17801 0.53092
|
|
323 12D+2 0.40394 0.23405 0.18633 -0.54410 0.18275
|
|
324 12D-2 0.49538 -0.05305 0.25654 0.39219 1.30740
|
|
325 13F 0 -0.00633 -0.01213 -0.00143 -0.00004 -0.00598
|
|
326 13F+1 0.02318 -0.02857 0.02037 -0.00473 -0.00288
|
|
327 13F-1 0.00735 -0.00080 0.02140 0.02879 -0.00696
|
|
328 13F+2 0.00183 -0.00014 -0.00101 -0.00521 0.00466
|
|
329 13F-2 0.01521 0.00662 0.00925 0.01733 0.01514
|
|
330 13F+3 -0.00423 -0.00089 -0.00617 -0.01056 -0.00476
|
|
331 13F-3 0.01376 0.00505 0.00157 0.00569 0.00568
|
|
332 14F 0 0.04893 -0.00036 0.08305 0.14556 0.67239
|
|
333 14F+1 -0.25846 0.19551 -0.19600 0.22247 0.16663
|
|
334 14F-1 -0.04191 -0.04236 -0.16857 -0.47558 0.04726
|
|
335 14F+2 -0.15744 0.11113 -0.11304 0.33677 -0.07992
|
|
336 14F-2 -0.23969 -0.07667 -0.09543 -0.38032 -0.49608
|
|
337 14F+3 0.10474 -0.02548 0.06762 0.34562 0.11913
|
|
338 14F-3 -0.23611 0.01542 -0.06897 -0.02873 -0.26581
|
|
339 15G 0 0.00136 0.00272 -0.00146 -0.00033 -0.01812
|
|
340 15G+1 0.00138 0.01813 -0.00210 0.00563 -0.01381
|
|
341 15G-1 -0.00257 0.00134 -0.00275 -0.00387 -0.00587
|
|
342 15G+2 0.00772 -0.00129 0.00315 -0.01147 0.00056
|
|
343 15G-2 0.00533 -0.00163 0.00340 0.00397 0.00832
|
|
344 15G+3 -0.00102 0.00384 0.00213 -0.00917 -0.00386
|
|
345 15G-3 0.00361 0.00064 0.00393 0.00690 0.00385
|
|
346 15G+4 0.00362 -0.00358 0.00071 0.00292 -0.00766
|
|
347 15G-4 -0.00029 -0.00187 0.00173 0.00057 0.00644
|
|
348 6 H 1S 0.00252 0.00935 0.00460 -0.00933 0.00523
|
|
349 2S 0.11345 -0.15619 0.15748 0.03216 -0.08437
|
|
350 3S -3.40313 3.79146 -5.95952 -1.75343 0.01773
|
|
351 4S 0.67482 2.41827 -1.57821 -0.62817 -0.61542
|
|
352 5S -0.12399 -0.03931 0.14303 0.03440 -0.04142
|
|
353 6PX -0.03741 -0.01301 -0.01491 0.02088 0.10254
|
|
354 6PY 0.01585 0.05743 -0.00491 -0.09464 0.08203
|
|
355 6PZ -0.00032 -0.00896 0.01320 0.00366 0.08202
|
|
356 7PX 0.31208 0.13142 0.12265 -0.18102 -0.94472
|
|
357 7PY -0.17189 -0.45965 0.02501 0.85622 -0.74277
|
|
358 7PZ 0.02991 0.01173 -0.08879 -0.03810 -0.76976
|
|
359 8PX 0.39349 -0.68459 0.48032 0.74160 2.29208
|
|
360 8PY 0.18926 -0.04795 0.89843 -1.96504 2.21302
|
|
361 8PZ -0.92502 1.66364 -1.48408 -0.74078 2.05706
|
|
362 9PX -0.36638 -0.03587 0.24657 0.19837 0.80140
|
|
363 9PY 0.39229 0.21508 0.24789 -0.62079 0.98317
|
|
364 9PZ 0.27012 1.40125 -0.25041 -0.32194 0.46570
|
|
365 10D 0 0.02833 -0.01613 0.02187 0.00506 -0.05388
|
|
366 10D+1 -0.01771 0.01102 0.00513 -0.02448 -0.00294
|
|
367 10D-1 0.02675 0.04836 -0.02418 0.03190 -0.02160
|
|
368 10D+2 0.04664 0.01192 -0.00551 0.01339 -0.00571
|
|
369 10D-2 0.01080 -0.02067 0.02086 -0.04161 0.02487
|
|
370 11D 0 -0.26139 0.15585 -0.26230 -0.09531 0.42998
|
|
371 11D+1 0.21106 -0.10069 0.03116 0.26236 0.02670
|
|
372 11D-1 -0.18282 -0.44774 0.30985 -0.23100 0.18894
|
|
373 11D+2 -0.37659 -0.14387 0.06348 -0.12296 0.04513
|
|
374 11D-2 -0.10213 0.17639 -0.20954 0.32685 -0.18934
|
|
375 12D 0 0.30556 0.47412 0.17361 -0.33884 1.52305
|
|
376 12D+1 -0.51337 0.11492 -0.26319 0.26639 0.49912
|
|
377 12D-1 0.15240 0.05092 -0.27965 -1.17801 0.53092
|
|
378 12D+2 0.40394 0.23405 0.18633 -0.54410 -0.18275
|
|
379 12D-2 0.49538 -0.05305 0.25654 0.39219 -1.30740
|
|
380 13F 0 0.00633 0.01213 0.00143 0.00004 -0.00598
|
|
381 13F+1 0.02318 -0.02857 0.02037 -0.00473 0.00288
|
|
382 13F-1 0.00735 -0.00080 0.02140 0.02879 0.00696
|
|
383 13F+2 -0.00183 0.00014 0.00101 0.00521 0.00466
|
|
384 13F-2 -0.01521 -0.00662 -0.00925 -0.01733 0.01514
|
|
385 13F+3 -0.00423 -0.00089 -0.00617 -0.01056 0.00476
|
|
386 13F-3 0.01376 0.00505 0.00157 0.00569 -0.00568
|
|
387 14F 0 -0.04893 0.00036 -0.08305 -0.14556 0.67239
|
|
388 14F+1 -0.25846 0.19551 -0.19600 0.22247 -0.16663
|
|
389 14F-1 -0.04191 -0.04236 -0.16857 -0.47558 -0.04726
|
|
390 14F+2 0.15744 -0.11113 0.11304 -0.33677 -0.07992
|
|
391 14F-2 0.23969 0.07667 0.09543 0.38032 -0.49608
|
|
392 14F+3 0.10474 -0.02548 0.06762 0.34562 -0.11913
|
|
393 14F-3 -0.23611 0.01542 -0.06897 -0.02873 0.26581
|
|
394 15G 0 0.00136 0.00272 -0.00146 -0.00033 0.01812
|
|
395 15G+1 -0.00138 -0.01813 0.00210 -0.00563 -0.01381
|
|
396 15G-1 0.00257 -0.00134 0.00275 0.00387 -0.00587
|
|
397 15G+2 0.00772 -0.00129 0.00315 -0.01147 -0.00056
|
|
398 15G-2 0.00533 -0.00163 0.00340 0.00397 -0.00832
|
|
399 15G+3 0.00102 -0.00384 -0.00213 0.00917 -0.00386
|
|
400 15G-3 -0.00361 -0.00064 -0.00393 -0.00690 0.00385
|
|
401 15G+4 0.00362 -0.00358 0.00071 0.00292 0.00766
|
|
402 15G-4 -0.00029 -0.00187 0.00173 0.00057 -0.00644
|
|
196 197 198 199 200
|
|
V V V V V
|
|
Eigenvalues -- 7.07266 7.08332 7.12846 7.19461 7.19928
|
|
1 1 C 1S 0.00000 0.00906 0.00000 0.00000 -0.00608
|
|
2 2S 0.00000 -0.01606 0.00000 0.00000 -0.01753
|
|
3 3S 0.00000 0.00169 0.00000 0.00000 -0.18703
|
|
4 4S 0.00000 2.16006 0.00000 0.00000 0.74892
|
|
5 5S 0.00000 -7.51336 0.00000 0.00000 -0.65140
|
|
6 6S 0.00000 -0.59002 0.00000 0.00000 -0.46865
|
|
7 7PX 0.00000 0.08378 0.00000 0.00000 0.13838
|
|
8 7PY 0.00000 -0.04582 0.00000 0.00000 0.00233
|
|
9 7PZ 0.08118 0.00000 0.07479 0.15492 0.00000
|
|
10 8PX 0.00000 -2.36689 0.00000 0.00000 -2.62695
|
|
11 8PY 0.00000 0.47921 0.00000 0.00000 -1.15715
|
|
12 8PZ -1.03420 0.00000 -2.47173 -2.88051 0.00000
|
|
13 9PX 0.00000 14.04198 0.00000 0.00000 15.88554
|
|
14 9PY 0.00000 -2.86178 0.00000 0.00000 5.98837
|
|
15 9PZ 7.34636 0.00000 14.17365 17.75529 0.00000
|
|
16 10PX 0.00000 8.09581 0.00000 0.00000 11.81688
|
|
17 10PY 0.00000 1.32808 0.00000 0.00000 2.70554
|
|
18 10PZ 4.60847 0.00000 9.06118 12.47729 0.00000
|
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281 14F-2 0.04546 0.00000 0.04148 0.16339 0.00000
|
|
282 14F+3 0.00000 0.45934 0.00000 0.00000 -0.45479
|
|
283 14F-3 0.00000 0.21979 0.00000 0.00000 -0.69140
|
|
284 15G 0 0.00000 0.01363 0.00000 0.00000 -0.00793
|
|
285 15G+1 -0.00075 0.00000 0.00447 0.00116 0.00000
|
|
286 15G-1 -0.00569 0.00000 -0.00392 0.00134 0.00000
|
|
287 15G+2 0.00000 -0.00628 0.00000 0.00000 0.00254
|
|
288 15G-2 0.00000 0.02648 0.00000 0.00000 -0.02088
|
|
289 15G+3 -0.00536 0.00000 -0.00756 -0.00078 0.00000
|
|
290 15G-3 0.00435 0.00000 -0.00239 -0.02192 0.00000
|
|
291 15G+4 0.00000 -0.02845 0.00000 0.00000 0.02154
|
|
292 15G-4 0.00000 -0.01718 0.00000 0.00000 0.02723
|
|
293 5 H 1S -0.03076 -0.01645 -0.01836 -0.05898 -0.03789
|
|
294 2S 0.26030 -0.05824 -0.15304 0.02746 -0.17334
|
|
295 3S -5.77742 -0.91997 -7.65053 -14.15292 -8.27950
|
|
296 4S -3.43878 -3.12527 -6.08424 -9.04478 -5.21559
|
|
297 5S 0.03446 0.22209 0.23844 0.39501 0.18094
|
|
298 6PX 0.03909 -0.08560 -0.08537 -0.00059 -0.07070
|
|
299 6PY -0.02134 0.00201 0.08944 -0.07054 -0.02629
|
|
300 6PZ -0.06410 -0.00006 -0.07970 -0.11584 -0.05459
|
|
301 7PX -0.42512 0.81516 0.77297 -0.10945 0.61205
|
|
302 7PY 0.17723 -0.03479 -0.88597 0.55317 0.22316
|
|
303 7PZ 0.50099 0.00390 0.69249 0.91090 0.38116
|
|
304 8PX 3.02529 -2.33356 0.25086 4.14764 0.47183
|
|
305 8PY -0.58820 0.88760 4.47926 2.30452 0.77579
|
|
306 8PZ 1.81984 1.30555 1.55718 4.00096 3.72473
|
|
307 9PX 1.28276 -0.23193 0.39563 2.45091 0.41552
|
|
308 9PY 0.31965 0.57781 2.33980 1.34474 0.83844
|
|
309 9PZ 1.00289 1.26386 1.44706 2.66998 2.11487
|
|
310 10D 0 0.06371 0.02452 -0.00556 0.03273 0.05824
|
|
311 10D+1 0.09754 -0.02184 0.00700 0.07805 0.05690
|
|
312 10D-1 -0.05517 0.04051 0.07139 0.07586 0.03335
|
|
313 10D+2 0.03123 -0.02949 -0.02592 0.02792 0.01632
|
|
314 10D-2 0.00949 -0.04554 0.04847 0.06566 -0.00505
|
|
315 11D 0 -0.55982 -0.27210 -0.02541 -0.41842 -0.69439
|
|
316 11D+1 -0.87206 0.19099 -0.25321 -0.89333 -0.58683
|
|
317 11D-1 0.42614 -0.41245 -0.75196 -0.85659 -0.41803
|
|
318 11D+2 -0.27849 0.30025 0.19912 -0.24948 -0.13916
|
|
319 11D-2 -0.11057 0.38039 -0.52089 -0.68395 0.05267
|
|
320 12D 0 0.29876 -0.91609 0.74888 0.41773 -0.88149
|
|
321 12D+1 -0.95044 0.84368 0.62242 -0.97180 0.00826
|
|
322 12D-1 0.49523 -0.55811 -1.52128 -0.11989 0.00938
|
|
323 12D+2 -0.49110 0.58384 0.98436 -0.49034 0.43674
|
|
324 12D-2 -0.16777 0.07070 -0.50410 -0.42552 0.03791
|
|
325 13F 0 -0.00022 0.00459 0.00167 -0.00584 0.01823
|
|
326 13F+1 -0.00097 0.00461 0.02907 0.03438 0.00813
|
|
327 13F-1 0.02367 -0.00081 0.00964 0.02308 0.02029
|
|
328 13F+2 -0.00018 -0.01070 0.01603 -0.00605 -0.00078
|
|
329 13F-2 0.01347 0.01444 0.00991 0.01902 0.00194
|
|
330 13F+3 0.00457 -0.00818 -0.00766 -0.00261 0.00046
|
|
331 13F-3 0.00231 0.00605 0.00681 -0.00154 0.00418
|
|
332 14F 0 -0.07106 0.25529 -0.36206 -0.23677 0.19381
|
|
333 14F+1 0.33429 -0.16407 -0.40675 -0.04410 0.15534
|
|
334 14F-1 -0.46984 0.37877 0.20074 -0.10685 -0.00511
|
|
335 14F+2 0.34587 -0.26336 -0.62449 0.30405 -0.03105
|
|
336 14F-2 -0.05180 -0.21286 0.25627 0.14996 -0.06665
|
|
337 14F+3 -0.04155 -0.09824 -0.14217 0.02838 -0.00449
|
|
338 14F-3 0.05743 -0.19523 -0.03363 0.15612 -0.12103
|
|
339 15G 0 0.00040 -0.00612 0.01166 0.01593 -0.00565
|
|
340 15G+1 -0.00697 -0.00412 0.00855 -0.00248 -0.01201
|
|
341 15G-1 0.01500 -0.00543 -0.00628 0.00187 -0.01596
|
|
342 15G+2 -0.00993 0.02300 0.01075 -0.00758 0.00023
|
|
343 15G-2 -0.00881 -0.01122 -0.01216 -0.01860 -0.00018
|
|
344 15G+3 -0.00540 -0.00017 0.01508 -0.00089 0.00318
|
|
345 15G-3 -0.00699 0.01155 0.00028 -0.00883 0.00078
|
|
346 15G+4 0.00012 0.00131 0.01046 0.00035 -0.00836
|
|
347 15G-4 0.00760 0.00120 0.01437 -0.01146 0.00102
|
|
348 6 H 1S 0.03076 -0.01645 0.01836 0.05898 -0.03789
|
|
349 2S -0.26030 -0.05824 0.15304 -0.02746 -0.17334
|
|
350 3S 5.77742 -0.91997 7.65053 14.15292 -8.27950
|
|
351 4S 3.43878 -3.12527 6.08424 9.04478 -5.21559
|
|
352 5S -0.03446 0.22209 -0.23844 -0.39501 0.18094
|
|
353 6PX -0.03909 -0.08560 0.08537 0.00059 -0.07070
|
|
354 6PY 0.02134 0.00201 -0.08944 0.07054 -0.02629
|
|
355 6PZ -0.06410 0.00006 -0.07970 -0.11584 0.05459
|
|
356 7PX 0.42512 0.81516 -0.77297 0.10945 0.61205
|
|
357 7PY -0.17723 -0.03479 0.88597 -0.55317 0.22316
|
|
358 7PZ 0.50099 -0.00390 0.69249 0.91090 -0.38116
|
|
359 8PX -3.02529 -2.33356 -0.25086 -4.14764 0.47183
|
|
360 8PY 0.58820 0.88760 -4.47926 -2.30452 0.77579
|
|
361 8PZ 1.81984 -1.30555 1.55718 4.00096 -3.72473
|
|
362 9PX -1.28276 -0.23193 -0.39563 -2.45091 0.41552
|
|
363 9PY -0.31965 0.57781 -2.33980 -1.34474 0.83844
|
|
364 9PZ 1.00289 -1.26386 1.44706 2.66998 -2.11487
|
|
365 10D 0 -0.06371 0.02452 0.00556 -0.03273 0.05824
|
|
366 10D+1 0.09754 0.02184 0.00700 0.07805 -0.05690
|
|
367 10D-1 -0.05517 -0.04051 0.07139 0.07586 -0.03335
|
|
368 10D+2 -0.03123 -0.02949 0.02592 -0.02792 0.01632
|
|
369 10D-2 -0.00949 -0.04554 -0.04847 -0.06566 -0.00505
|
|
370 11D 0 0.55982 -0.27210 0.02541 0.41842 -0.69439
|
|
371 11D+1 -0.87206 -0.19099 -0.25321 -0.89333 0.58683
|
|
372 11D-1 0.42614 0.41245 -0.75196 -0.85659 0.41803
|
|
373 11D+2 0.27849 0.30025 -0.19912 0.24948 -0.13916
|
|
374 11D-2 0.11057 0.38039 0.52089 0.68395 0.05267
|
|
375 12D 0 -0.29876 -0.91609 -0.74888 -0.41773 -0.88149
|
|
376 12D+1 -0.95044 -0.84368 0.62242 -0.97180 -0.00826
|
|
377 12D-1 0.49523 0.55811 -1.52128 -0.11989 -0.00938
|
|
378 12D+2 0.49110 0.58384 -0.98436 0.49034 0.43674
|
|
379 12D-2 0.16777 0.07070 0.50410 0.42552 0.03791
|
|
380 13F 0 -0.00022 -0.00459 0.00167 -0.00584 -0.01823
|
|
381 13F+1 0.00097 0.00461 -0.02907 -0.03438 0.00813
|
|
382 13F-1 -0.02367 -0.00081 -0.00964 -0.02308 0.02029
|
|
383 13F+2 -0.00018 0.01070 0.01603 -0.00605 0.00078
|
|
384 13F-2 0.01347 -0.01444 0.00991 0.01902 -0.00194
|
|
385 13F+3 -0.00457 -0.00818 0.00766 0.00261 0.00046
|
|
386 13F-3 -0.00231 0.00605 -0.00681 0.00154 0.00418
|
|
387 14F 0 -0.07106 -0.25529 -0.36206 -0.23677 -0.19381
|
|
388 14F+1 -0.33429 -0.16407 0.40675 0.04410 0.15534
|
|
389 14F-1 0.46984 0.37877 -0.20074 0.10685 -0.00511
|
|
390 14F+2 0.34587 0.26336 -0.62449 0.30405 0.03105
|
|
391 14F-2 -0.05180 0.21286 0.25627 0.14996 0.06665
|
|
392 14F+3 0.04155 -0.09824 0.14217 -0.02838 -0.00449
|
|
393 14F-3 -0.05743 -0.19523 0.03363 -0.15612 -0.12103
|
|
394 15G 0 -0.00040 -0.00612 -0.01166 -0.01593 -0.00565
|
|
395 15G+1 -0.00697 0.00412 0.00855 -0.00248 0.01201
|
|
396 15G-1 0.01500 0.00543 -0.00628 0.00187 0.01596
|
|
397 15G+2 0.00993 0.02300 -0.01075 0.00758 0.00023
|
|
398 15G-2 0.00881 -0.01122 0.01216 0.01860 -0.00018
|
|
399 15G+3 -0.00540 0.00017 0.01508 -0.00089 -0.00318
|
|
400 15G-3 -0.00699 -0.01155 0.00028 -0.00883 -0.00078
|
|
401 15G+4 -0.00012 0.00131 -0.01046 -0.00035 -0.00836
|
|
402 15G-4 -0.00760 0.00120 -0.01437 0.01146 0.00102
|
|
201 202 203 204 205
|
|
V V V V V
|
|
Eigenvalues -- 7.26415 7.33129 7.41335 7.43989 7.48647
|
|
1 1 C 1S -0.00866 -0.02670 0.00000 0.01224 0.00000
|
|
2 2S 0.03579 0.13236 0.00000 0.00784 0.00000
|
|
3 3S 0.04342 0.06036 0.00000 0.51090 0.00000
|
|
4 4S 0.98258 2.75372 0.00000 -4.88667 0.00000
|
|
5 5S -4.18152 -3.92509 0.00000 8.48204 0.00000
|
|
6 6S -0.57320 0.23372 0.00000 0.06911 0.00000
|
|
7 7PX -0.04508 0.15588 0.00000 -0.00257 0.00000
|
|
8 7PY -0.12505 -0.18051 0.00000 -0.00623 0.00000
|
|
9 7PZ 0.00000 0.00000 -0.14936 0.00000 -0.19587
|
|
10 8PX 0.96513 -1.01473 0.00000 -0.41978 0.00000
|
|
11 8PY -0.56496 1.64449 0.00000 -1.74635 0.00000
|
|
12 8PZ 0.00000 0.00000 1.20052 0.00000 0.65384
|
|
13 9PX -7.65709 10.44659 0.00000 2.04094 0.00000
|
|
14 9PY 2.73718 -7.31009 0.00000 7.49112 0.00000
|
|
15 9PZ 0.00000 0.00000 -13.02687 0.00000 -10.86270
|
|
16 10PX -3.84038 6.10983 0.00000 1.72961 0.00000
|
|
17 10PY 0.69061 -2.42350 0.00000 2.96630 0.00000
|
|
18 10PZ 0.00000 0.00000 -7.76781 0.00000 -4.64231
|
|
19 11PX -0.20319 0.19909 0.00000 0.12349 0.00000
|
|
20 11PY 0.01497 -0.00945 0.00000 0.03821 0.00000
|
|
21 11PZ 0.00000 0.00000 -0.15318 0.00000 -0.09665
|
|
22 12D 0 0.04815 -0.04167 0.00000 0.03115 0.00000
|
|
23 12D+1 0.00000 0.00000 0.06284 0.00000 0.06691
|
|
24 12D-1 0.00000 0.00000 0.04584 0.00000 0.07686
|
|
25 12D+2 0.02373 0.02335 0.00000 0.02846 0.00000
|
|
26 12D-2 0.00985 -0.04791 0.00000 0.00363 0.00000
|
|
27 13D 0 -0.14903 0.35717 0.00000 -0.16083 0.00000
|
|
28 13D+1 0.00000 0.00000 -0.47027 0.00000 -0.77799
|
|
29 13D-1 0.00000 0.00000 -0.60172 0.00000 -0.51316
|
|
30 13D+2 -0.25355 -0.71860 0.00000 -0.21898 0.00000
|
|
31 13D-2 -0.20129 0.30673 0.00000 -0.20551 0.00000
|
|
32 14D 0 -0.70258 6.28567 0.00000 1.12311 0.00000
|
|
33 14D+1 0.00000 0.00000 -6.13650 0.00000 -10.91613
|
|
34 14D-1 0.00000 0.00000 -6.85308 0.00000 -1.81165
|
|
35 14D+2 1.22941 -2.32927 0.00000 -2.23708 0.00000
|
|
36 14D-2 -2.47840 2.77560 0.00000 -3.36395 0.00000
|
|
37 15D 0 -1.03031 1.50657 0.00000 0.76278 0.00000
|
|
38 15D+1 0.00000 0.00000 -2.24546 0.00000 -2.31421
|
|
39 15D-1 0.00000 0.00000 -1.51896 0.00000 -0.97716
|
|
40 15D+2 0.64142 -0.86500 0.00000 -0.32076 0.00000
|
|
41 15D-2 0.28125 1.28627 0.00000 -0.37944 0.00000
|
|
42 16F 0 0.00000 0.00000 -0.11370 0.00000 0.01102
|
|
43 16F+1 -0.01461 0.02385 0.00000 -0.03954 0.00000
|
|
44 16F-1 0.00830 -0.05048 0.00000 0.01786 0.00000
|
|
45 16F+2 0.00000 0.00000 -0.01491 0.00000 0.06973
|
|
46 16F-2 0.00000 0.00000 0.10536 0.00000 0.02452
|
|
47 16F+3 -0.01120 -0.05371 0.00000 -0.05577 0.00000
|
|
48 16F-3 -0.01574 -0.01179 0.00000 -0.05283 0.00000
|
|
49 17F 0 0.00000 0.00000 2.36466 0.00000 -0.12198
|
|
50 17F+1 0.04168 -0.04618 0.00000 0.29858 0.00000
|
|
51 17F-1 -0.47143 1.09519 0.00000 -0.25410 0.00000
|
|
52 17F+2 0.00000 0.00000 0.01311 0.00000 -1.45904
|
|
53 17F-2 0.00000 0.00000 -2.56034 0.00000 -1.86982
|
|
54 17F+3 0.02654 0.89631 0.00000 1.43921 0.00000
|
|
55 17F-3 0.25616 -0.76515 0.00000 1.19417 0.00000
|
|
56 18F 0 0.00000 0.00000 1.06941 0.00000 -0.11758
|
|
57 18F+1 -0.32659 0.27117 0.00000 0.58866 0.00000
|
|
58 18F-1 -0.47487 0.59299 0.00000 -0.03302 0.00000
|
|
59 18F+2 0.00000 0.00000 0.12397 0.00000 -1.45397
|
|
60 18F-2 0.00000 0.00000 -1.92042 0.00000 -1.37142
|
|
61 18F+3 -0.09453 0.88518 0.00000 1.08708 0.00000
|
|
62 18F-3 -0.08006 -1.45640 0.00000 1.73950 0.00000
|
|
63 19G 0 -0.01418 -0.07503 0.00000 -0.00202 0.00000
|
|
64 19G+1 0.00000 0.00000 -0.08320 0.00000 -0.08281
|
|
65 19G-1 0.00000 0.00000 -0.06587 0.00000 -0.07520
|
|
66 19G+2 -0.00759 -0.00103 0.00000 0.00625 0.00000
|
|
67 19G-2 -0.03437 0.04369 0.00000 -0.05560 0.00000
|
|
68 19G+3 0.00000 0.00000 -0.02040 0.00000 0.09092
|
|
69 19G-3 0.00000 0.00000 -0.01282 0.00000 -0.02201
|
|
70 19G+4 0.07173 -0.03639 0.00000 0.04548 0.00000
|
|
71 19G-4 -0.00911 -0.00168 0.00000 -0.00091 0.00000
|
|
72 20G 0 1.41801 1.08288 0.00000 0.06277 0.00000
|
|
73 20G+1 0.00000 0.00000 0.06752 0.00000 0.24521
|
|
74 20G-1 0.00000 0.00000 0.19661 0.00000 -0.02080
|
|
75 20G+2 -0.53869 1.07572 0.00000 0.00599 0.00000
|
|
76 20G-2 0.26054 -0.45874 0.00000 0.83013 0.00000
|
|
77 20G+3 0.00000 0.00000 1.44885 0.00000 -1.38153
|
|
78 20G-3 0.00000 0.00000 -0.42855 0.00000 -0.84459
|
|
79 20G+4 -0.86711 0.25922 0.00000 -1.65780 0.00000
|
|
80 20G-4 -0.15361 0.99641 0.00000 -0.37404 0.00000
|
|
81 21H 0 0.00000 0.00000 0.15673 0.00000 0.12674
|
|
82 21H+1 -0.01970 0.12550 0.00000 -0.04062 0.00000
|
|
83 21H-1 0.15169 0.16954 0.00000 0.08705 0.00000
|
|
84 21H+2 0.00000 0.00000 0.04863 0.00000 -0.13917
|
|
85 21H-2 0.00000 0.00000 -0.04648 0.00000 -0.03694
|
|
86 21H+3 -0.03799 0.02244 0.00000 -0.15337 0.00000
|
|
87 21H-3 -0.03056 0.11219 0.00000 -0.00986 0.00000
|
|
88 21H+4 0.00000 0.00000 0.03236 0.00000 0.12828
|
|
89 21H-4 0.00000 0.00000 0.02278 0.00000 -0.29931
|
|
90 21H+5 -0.01142 -0.13065 0.00000 0.17822 0.00000
|
|
91 21H-5 -0.00909 -0.04846 0.00000 -0.03558 0.00000
|
|
92 2 O 1S 0.03586 -0.00674 0.00000 0.01777 0.00000
|
|
93 2S -0.04673 0.00126 0.00000 -0.03684 0.00000
|
|
94 3S 0.13867 -0.05727 0.00000 0.11996 0.00000
|
|
95 4S 1.24061 0.17569 0.00000 -1.35814 0.00000
|
|
96 5S -13.72895 1.24226 0.00000 0.63402 0.00000
|
|
97 6S -6.13413 -2.16268 0.00000 3.19213 0.00000
|
|
98 7PX -0.00759 0.00218 0.00000 -0.00484 0.00000
|
|
99 7PY -0.01297 0.01323 0.00000 -0.04227 0.00000
|
|
100 7PZ 0.00000 0.00000 0.00393 0.00000 -0.00681
|
|
101 8PX 1.25295 -0.14524 0.00000 -0.20978 0.00000
|
|
102 8PY -0.78670 0.25488 0.00000 -0.50286 0.00000
|
|
103 8PZ 0.00000 0.00000 0.00645 0.00000 -0.06850
|
|
104 9PX -7.03667 0.73248 0.00000 -0.38231 0.00000
|
|
105 9PY 3.56821 -0.85004 0.00000 2.02378 0.00000
|
|
106 9PZ 0.00000 0.00000 0.10397 0.00000 0.08366
|
|
107 10PX -8.62162 1.44117 0.00000 2.76357 0.00000
|
|
108 10PY 5.58059 -2.84132 0.00000 0.00915 0.00000
|
|
109 10PZ 0.00000 0.00000 0.40452 0.00000 0.07810
|
|
110 11PX -0.66734 -0.09054 0.00000 0.44282 0.00000
|
|
111 11PY 0.31284 -0.46904 0.00000 0.01701 0.00000
|
|
112 11PZ 0.00000 0.00000 0.12499 0.00000 -0.09717
|
|
113 12D 0 -0.00201 -0.01689 0.00000 0.00051 0.00000
|
|
114 12D+1 0.00000 0.00000 0.00024 0.00000 0.00222
|
|
115 12D-1 0.00000 0.00000 -0.00619 0.00000 0.00133
|
|
116 12D+2 -0.00776 -0.00757 0.00000 0.01061 0.00000
|
|
117 12D-2 0.00930 -0.00232 0.00000 0.00702 0.00000
|
|
118 13D 0 0.02178 0.21849 0.00000 -0.09898 0.00000
|
|
119 13D+1 0.00000 0.00000 0.02084 0.00000 -0.00645
|
|
120 13D-1 0.00000 0.00000 0.14269 0.00000 -0.02691
|
|
121 13D+2 0.09303 0.11522 0.00000 0.01339 0.00000
|
|
122 13D-2 -0.07672 0.01345 0.00000 -0.03177 0.00000
|
|
123 14D 0 1.82742 -0.29859 0.00000 -0.11260 0.00000
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374 11D-2 -0.38835 -0.72250 0.25378 -0.11874 -0.21050
|
|
375 12D 0 0.26169 0.40688 -1.69493 0.10893 -1.13509
|
|
376 12D+1 0.14268 0.29008 0.81700 -0.26628 -0.22438
|
|
377 12D-1 -0.57307 1.15799 0.19231 -0.48408 1.77759
|
|
378 12D+2 -0.44779 0.28452 -0.09842 -0.29899 0.76453
|
|
379 12D-2 -0.32910 -0.77372 0.37905 0.16193 -0.14830
|
|
380 13F 0 0.01911 0.00417 0.01009 -0.00912 0.00652
|
|
381 13F+1 0.00021 -0.00534 -0.00903 0.02579 0.01713
|
|
382 13F-1 0.00693 0.00454 0.00803 0.00680 -0.00779
|
|
383 13F+2 0.00499 0.02166 -0.00813 -0.00350 -0.00596
|
|
384 13F-2 0.00986 0.00043 -0.03426 -0.00482 -0.01733
|
|
385 13F+3 0.01080 -0.00674 -0.00759 -0.00551 -0.00758
|
|
386 13F-3 -0.01352 -0.01830 0.02646 0.00666 0.00347
|
|
387 14F 0 -0.07526 0.27605 -0.70623 -0.07204 -0.28830
|
|
388 14F+1 -0.09241 -0.09178 0.58203 -0.22497 -0.13368
|
|
389 14F-1 -0.27261 0.24368 0.16728 -0.21981 0.78505
|
|
390 14F+2 -0.26275 0.03963 -0.06143 -0.15025 0.50808
|
|
391 14F-2 -0.19704 -0.42865 0.32725 0.10799 -0.04260
|
|
392 14F+3 -0.12185 -0.14996 0.13107 0.07735 -0.03744
|
|
393 14F-3 0.32478 0.36589 -0.20999 -0.03799 -0.06697
|
|
394 15G 0 -0.00082 0.00204 -0.01888 -0.00553 -0.00221
|
|
395 15G+1 -0.01136 -0.01725 0.01983 0.01087 -0.00089
|
|
396 15G-1 -0.00776 -0.00059 0.01315 -0.00471 0.02509
|
|
397 15G+2 0.00070 0.01759 -0.00520 -0.00003 0.01136
|
|
398 15G-2 0.00245 -0.01421 -0.00917 0.00984 -0.01902
|
|
399 15G+3 -0.00196 -0.01134 0.00124 -0.00664 -0.02188
|
|
400 15G-3 0.01284 0.00952 0.00885 0.01418 -0.00183
|
|
401 15G+4 -0.00818 0.00413 0.00465 -0.00281 -0.00356
|
|
402 15G-4 -0.00419 0.01171 0.00517 -0.00115 -0.00679
|
|
206 207 208 209 210
|
|
V V V V V
|
|
Eigenvalues -- 7.52607 7.54794 7.68559 7.68947 7.76372
|
|
1 1 C 1S 0.01877 0.00000 0.00000 -0.00683 0.00000
|
|
2 2S -0.02673 0.00000 0.00000 0.08843 0.00000
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|
3 3S 0.32855 0.00000 0.00000 0.28627 0.00000
|
|
4 4S -2.57623 0.00000 0.00000 -0.90291 0.00000
|
|
5 5S -0.13718 0.00000 0.00000 2.11658 0.00000
|
|
6 6S -1.14397 0.00000 0.00000 0.67176 0.00000
|
|
7 7PX 0.26836 0.00000 0.00000 0.02399 0.00000
|
|
8 7PY 0.09231 0.00000 0.00000 -0.06272 0.00000
|
|
9 7PZ 0.00000 -0.20217 -0.04680 0.00000 0.11496
|
|
10 8PX -0.95328 0.00000 0.00000 -0.07328 0.00000
|
|
11 8PY -0.86809 0.00000 0.00000 -0.00099 0.00000
|
|
12 8PZ 0.00000 0.63728 0.16210 0.00000 -0.65803
|
|
13 9PX 17.68962 0.00000 0.00000 1.21245 0.00000
|
|
14 9PY 4.74278 0.00000 0.00000 0.27248 0.00000
|
|
15 9PZ 0.00000 -12.41432 -4.10290 0.00000 7.30842
|
|
16 10PX 8.12453 0.00000 0.00000 1.85739 0.00000
|
|
17 10PY 1.28914 0.00000 0.00000 -0.73832 0.00000
|
|
18 10PZ 0.00000 -4.97301 0.13896 0.00000 3.53896
|
|
19 11PX 0.14361 0.00000 0.00000 0.00162 0.00000
|
|
20 11PY 0.08076 0.00000 0.00000 0.04593 0.00000
|
|
21 11PZ 0.00000 -0.19377 -0.06932 0.00000 -0.03968
|
|
22 12D 0 -0.11444 0.00000 0.00000 -0.01856 0.00000
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|
23 12D+1 0.00000 0.09153 0.02012 0.00000 -0.04931
|
|
24 12D-1 0.00000 0.08224 0.00009 0.00000 -0.06420
|
|
25 12D+2 0.07313 0.00000 0.00000 0.00814 0.00000
|
|
26 12D-2 -0.08987 0.00000 0.00000 -0.01297 0.00000
|
|
27 13D 0 0.91282 0.00000 0.00000 -0.08862 0.00000
|
|
28 13D+1 0.00000 -0.65179 -0.09241 0.00000 0.30165
|
|
29 13D-1 0.00000 -0.52406 0.14327 0.00000 0.33735
|
|
30 13D+2 -0.49826 0.00000 0.00000 -0.05413 0.00000
|
|
31 13D-2 0.75507 0.00000 0.00000 0.08059 0.00000
|
|
32 14D 0 9.96673 0.00000 0.00000 0.42513 0.00000
|
|
33 14D+1 0.00000 -8.91671 -2.67680 0.00000 1.35416
|
|
34 14D-1 0.00000 -4.06590 -1.77852 0.00000 1.16631
|
|
35 14D+2 -9.94005 0.00000 0.00000 0.29043 0.00000
|
|
36 14D-2 4.41402 0.00000 0.00000 2.14957 0.00000
|
|
37 15D 0 2.61033 0.00000 0.00000 0.72626 0.00000
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|
38 15D+1 0.00000 -2.28512 -0.34145 0.00000 0.77018
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|
39 15D-1 0.00000 -0.87833 -0.91899 0.00000 0.09396
|
|
40 15D+2 -2.47809 0.00000 0.00000 -0.42060 0.00000
|
|
41 15D-2 1.12990 0.00000 0.00000 0.09827 0.00000
|
|
42 16F 0 0.00000 0.07383 0.04784 0.00000 0.07921
|
|
43 16F+1 0.01012 0.00000 0.00000 0.01480 0.00000
|
|
44 16F-1 -0.05985 0.00000 0.00000 -0.02416 0.00000
|
|
45 16F+2 0.00000 -0.06042 0.12087 0.00000 0.06904
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|
46 16F-2 0.00000 0.01515 -0.01920 0.00000 0.02496
|
|
47 16F+3 0.03003 0.00000 0.00000 0.05192 0.00000
|
|
48 16F-3 0.05011 0.00000 0.00000 0.03458 0.00000
|
|
49 17F 0 0.00000 -2.40968 0.25529 0.00000 -1.16700
|
|
50 17F+1 -0.76380 0.00000 0.00000 -0.23114 0.00000
|
|
51 17F-1 2.81855 0.00000 0.00000 0.41284 0.00000
|
|
52 17F+2 0.00000 1.89820 -2.34575 0.00000 0.25061
|
|
53 17F-2 0.00000 -1.62719 -0.03594 0.00000 0.42302
|
|
54 17F+3 -0.01075 0.00000 0.00000 -1.07972 0.00000
|
|
55 17F-3 -1.70427 0.00000 0.00000 -0.62555 0.00000
|
|
56 18F 0 0.00000 -1.65104 -0.40801 0.00000 -1.35111
|
|
57 18F+1 -0.75700 0.00000 0.00000 0.37324 0.00000
|
|
58 18F-1 2.82607 0.00000 0.00000 0.21049 0.00000
|
|
59 18F+2 0.00000 0.85662 -1.42324 0.00000 -0.11480
|
|
60 18F-2 0.00000 -2.17503 -0.84822 0.00000 1.49481
|
|
61 18F+3 0.53962 0.00000 0.00000 -0.39870 0.00000
|
|
62 18F-3 -0.87315 0.00000 0.00000 -0.30645 0.00000
|
|
63 19G 0 -0.11219 0.00000 0.00000 0.02580 0.00000
|
|
64 19G+1 0.00000 -0.12086 0.00453 0.00000 0.02127
|
|
65 19G-1 0.00000 -0.01913 -0.14142 0.00000 0.05907
|
|
66 19G+2 0.12462 0.00000 0.00000 0.06857 0.00000
|
|
67 19G-2 0.02620 0.00000 0.00000 -0.01585 0.00000
|
|
68 19G+3 0.00000 0.03204 -0.01062 0.00000 -0.04656
|
|
69 19G-3 0.00000 -0.12973 -0.02226 0.00000 -0.02078
|
|
70 19G+4 -0.06183 0.00000 0.00000 -0.04880 0.00000
|
|
71 19G-4 0.11432 0.00000 0.00000 -0.05771 0.00000
|
|
72 20G 0 -0.11897 0.00000 0.00000 -1.00664 0.00000
|
|
73 20G+1 0.00000 0.31044 -0.56520 0.00000 0.23631
|
|
74 20G-1 0.00000 -1.01768 1.17379 0.00000 -0.21869
|
|
75 20G+2 -1.03883 0.00000 0.00000 -0.62394 0.00000
|
|
76 20G-2 0.39766 0.00000 0.00000 -0.04572 0.00000
|
|
77 20G+3 0.00000 0.00366 -0.01573 0.00000 0.39351
|
|
78 20G-3 0.00000 1.21387 -0.58179 0.00000 1.07624
|
|
79 20G+4 -0.14830 0.00000 0.00000 0.94770 0.00000
|
|
80 20G-4 0.07663 0.00000 0.00000 0.10611 0.00000
|
|
81 21H 0 0.00000 0.16291 0.09847 0.00000 0.10745
|
|
82 21H+1 0.14209 0.00000 0.00000 0.01658 0.00000
|
|
83 21H-1 0.11082 0.00000 0.00000 -0.07112 0.00000
|
|
84 21H+2 0.00000 -0.11873 -0.00627 0.00000 0.09585
|
|
85 21H-2 0.00000 0.05296 0.04258 0.00000 0.03348
|
|
86 21H+3 -0.21809 0.00000 0.00000 -0.06059 0.00000
|
|
87 21H-3 -0.12063 0.00000 0.00000 0.02159 0.00000
|
|
88 21H+4 0.00000 0.07996 0.03310 0.00000 0.04358
|
|
89 21H-4 0.00000 -0.02271 0.04476 0.00000 -0.02921
|
|
90 21H+5 0.04511 0.00000 0.00000 -0.12358 0.00000
|
|
91 21H-5 -0.08878 0.00000 0.00000 0.14100 0.00000
|
|
92 2 O 1S 0.00353 0.00000 0.00000 0.04141 0.00000
|
|
93 2S -0.00946 0.00000 0.00000 -0.00303 0.00000
|
|
94 3S -0.01947 0.00000 0.00000 0.42382 0.00000
|
|
95 4S 0.59312 0.00000 0.00000 1.78869 0.00000
|
|
96 5S -4.33192 0.00000 0.00000 -25.31908 0.00000
|
|
97 6S -1.55812 0.00000 0.00000 -10.57339 0.00000
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|
98 7PX 0.01509 0.00000 0.00000 0.04144 0.00000
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|
99 7PY 0.00844 0.00000 0.00000 0.01147 0.00000
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|
100 7PZ 0.00000 -0.00193 0.00604 0.00000 -0.00272
|
|
101 8PX 0.24016 0.00000 0.00000 1.72944 0.00000
|
|
102 8PY 0.17626 0.00000 0.00000 -0.52085 0.00000
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|
103 8PZ 0.00000 0.07930 0.13009 0.00000 0.01514
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|
104 9PX -1.27637 0.00000 0.00000 -11.56217 0.00000
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|
105 9PY -0.42572 0.00000 0.00000 3.73708 0.00000
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|
106 9PZ 0.00000 -0.30223 -0.08325 0.00000 0.34770
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|
107 10PX -2.59043 0.00000 0.00000 -12.39729 0.00000
|
|
108 10PY 0.42437 0.00000 0.00000 3.43517 0.00000
|
|
109 10PZ 0.00000 -0.45808 -3.39111 0.00000 -1.99457
|
|
110 11PX -0.46356 0.00000 0.00000 -1.28307 0.00000
|
|
111 11PY 0.02671 0.00000 0.00000 0.40801 0.00000
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|
112 11PZ 0.00000 0.04023 -0.41057 0.00000 -0.15643
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|
113 12D 0 -0.00009 0.00000 0.00000 -0.00002 0.00000
|
|
114 12D+1 0.00000 -0.01026 -0.00701 0.00000 -0.00021
|
|
115 12D-1 0.00000 -0.01179 0.00759 0.00000 0.00946
|
|
116 12D+2 0.00785 0.00000 0.00000 -0.00470 0.00000
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|
117 12D-2 0.00394 0.00000 0.00000 -0.00257 0.00000
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|
118 13D 0 0.00500 0.00000 0.00000 -0.22669 0.00000
|
|
119 13D+1 0.00000 0.10629 0.05178 0.00000 0.00469
|
|
120 13D-1 0.00000 0.13646 -0.22219 0.00000 -0.18797
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|
121 13D+2 -0.02870 0.00000 0.00000 0.28329 0.00000
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|
122 13D-2 -0.15886 0.00000 0.00000 -0.15314 0.00000
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|
123 14D 0 0.38088 0.00000 0.00000 2.65048 0.00000
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|
124 14D+1 0.00000 -0.24456 -0.29756 0.00000 0.00616
|
|
125 14D-1 0.00000 -0.12662 0.03928 0.00000 0.04909
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|
126 14D+2 -0.43982 0.00000 0.00000 -4.18055 0.00000
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|
127 14D-2 0.10702 0.00000 0.00000 2.69809 0.00000
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128 15D 0 0.49438 0.00000 0.00000 1.28031 0.00000
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|
129 15D+1 0.00000 -0.43111 -1.19093 0.00000 0.56669
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|
130 15D-1 0.00000 0.09694 -1.84408 0.00000 -1.54148
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131 15D+2 -0.56894 0.00000 0.00000 -2.79093 0.00000
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|
132 15D-2 -0.41758 0.00000 0.00000 1.65821 0.00000
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|
133 16F 0 0.00000 0.02893 0.05781 0.00000 0.02732
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|
134 16F+1 -0.00435 0.00000 0.00000 -0.04933 0.00000
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|
135 16F-1 0.01242 0.00000 0.00000 -0.01816 0.00000
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|
136 16F+2 0.00000 -0.01243 -0.00216 0.00000 0.04614
|
|
137 16F-2 0.00000 -0.05222 -0.05729 0.00000 0.08009
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|
138 16F+3 0.02078 0.00000 0.00000 0.02187 0.00000
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|
139 16F-3 0.00647 0.00000 0.00000 -0.04950 0.00000
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140 17F 0 0.00000 -0.31491 -0.60937 0.00000 -0.33471
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141 17F+1 0.06155 0.00000 0.00000 0.56696 0.00000
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|
142 17F-1 -0.13943 0.00000 0.00000 0.15063 0.00000
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143 17F+2 0.00000 0.12918 0.03768 0.00000 -0.46224
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144 17F-2 0.00000 0.52286 0.56128 0.00000 -0.83596
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145 17F+3 -0.19047 0.00000 0.00000 -0.21062 0.00000
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|
146 17F-3 -0.06874 0.00000 0.00000 0.62882 0.00000
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|
147 18F 0 0.00000 0.31189 1.52373 0.00000 0.90900
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148 18F+1 0.48612 0.00000 0.00000 0.35067 0.00000
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|
149 18F-1 -0.12028 0.00000 0.00000 -0.69362 0.00000
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150 18F+2 0.00000 -0.23528 0.39962 0.00000 1.05048
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151 18F-2 0.00000 -0.23762 -0.26909 0.00000 1.35395
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152 18F+3 0.38092 0.00000 0.00000 -0.90029 0.00000
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153 18F-3 -0.01584 0.00000 0.00000 0.93605 0.00000
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154 19G 0 0.01216 0.00000 0.00000 -0.08466 0.00000
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155 19G+1 0.00000 -0.00092 -0.02257 0.00000 -0.00127
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156 19G-1 0.00000 0.00749 -0.07174 0.00000 -0.01922
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157 19G+2 -0.01974 0.00000 0.00000 0.02834 0.00000
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158 19G-2 -0.00800 0.00000 0.00000 -0.04197 0.00000
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159 19G+3 0.00000 0.00708 0.00451 0.00000 0.03546
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160 19G-3 0.00000 -0.00560 -0.03974 0.00000 -0.07691
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161 19G+4 -0.01788 0.00000 0.00000 0.01614 0.00000
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162 19G-4 0.00462 0.00000 0.00000 0.02024 0.00000
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163 20G 0 -0.17978 0.00000 0.00000 0.67075 0.00000
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164 20G+1 0.00000 0.01992 0.30444 0.00000 0.02661
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165 20G-1 0.00000 -0.08736 0.78239 0.00000 0.20308
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166 20G+2 0.29673 0.00000 0.00000 0.07248 0.00000
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167 20G-2 0.04674 0.00000 0.00000 0.22893 0.00000
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168 20G+3 0.00000 -0.09743 -0.10212 0.00000 -0.45288
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169 20G-3 0.00000 0.11117 0.50122 0.00000 0.88146
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170 20G+4 0.16785 0.00000 0.00000 -0.44393 0.00000
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171 20G-4 -0.03585 0.00000 0.00000 0.36940 0.00000
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172 21H 0 0.00000 -0.00533 -0.00546 0.00000 -0.01284
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173 21H+1 -0.00189 0.00000 0.00000 -0.01499 0.00000
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174 21H-1 0.00933 0.00000 0.00000 0.00301 0.00000
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175 21H+2 0.00000 0.00824 0.01567 0.00000 0.00377
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176 21H-2 0.00000 -0.00086 -0.00641 0.00000 -0.00074
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177 21H+3 0.00323 0.00000 0.00000 0.01625 0.00000
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178 21H-3 -0.00071 0.00000 0.00000 -0.00937 0.00000
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179 21H+4 0.00000 -0.00365 -0.01465 0.00000 -0.00222
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180 21H-4 0.00000 0.00443 0.01277 0.00000 0.02360
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181 21H+5 -0.00699 0.00000 0.00000 -0.01304 0.00000
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182 21H-5 -0.00071 0.00000 0.00000 0.02757 0.00000
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183 3 H 1S 0.03796 0.00000 0.00000 0.00046 0.00000
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184 2S -1.95033 0.00000 0.00000 -0.29765 0.00000
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185 3S 22.95955 0.00000 0.00000 1.53966 0.00000
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186 4S 9.98961 0.00000 0.00000 1.60207 0.00000
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187 5S -0.12874 0.00000 0.00000 -0.27215 0.00000
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188 6PX 0.05280 0.00000 0.00000 0.01411 0.00000
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189 6PY -0.07294 0.00000 0.00000 -0.00496 0.00000
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190 6PZ 0.00000 -0.06963 -0.03031 0.00000 -0.00893
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191 7PX -0.99898 0.00000 0.00000 -0.15359 0.00000
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192 7PY 0.84850 0.00000 0.00000 -0.01278 0.00000
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193 7PZ 0.00000 0.75318 0.28946 0.00000 0.08601
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194 8PX 11.72685 0.00000 0.00000 1.35930 0.00000
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195 8PY -4.63173 0.00000 0.00000 1.77346 0.00000
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196 8PZ 0.00000 -5.23581 0.98141 0.00000 -1.35863
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197 9PX 4.87227 0.00000 0.00000 0.62581 0.00000
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198 9PY -2.18921 0.00000 0.00000 0.25409 0.00000
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199 9PZ 0.00000 -1.56957 0.01951 0.00000 -0.12104
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200 10D 0 0.11513 0.00000 0.00000 0.04010 0.00000
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201 10D+1 0.00000 0.21447 -0.10107 0.00000 0.08084
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202 10D-1 0.00000 -0.05446 0.02264 0.00000 0.00764
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203 10D+2 -0.17245 0.00000 0.00000 -0.05258 0.00000
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204 10D-2 0.08227 0.00000 0.00000 -0.08898 0.00000
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205 11D 0 -1.05734 0.00000 0.00000 -0.33055 0.00000
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206 11D+1 0.00000 -1.92787 0.85484 0.00000 -0.74710
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207 11D-1 0.00000 0.47690 -0.15111 0.00000 -0.11641
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208 11D+2 1.54975 0.00000 0.00000 0.47434 0.00000
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209 11D-2 -0.90818 0.00000 0.00000 0.81175 0.00000
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210 12D 0 -1.69842 0.00000 0.00000 -0.10885 0.00000
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211 12D+1 0.00000 -2.12407 0.17183 0.00000 -0.38055
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212 12D-1 0.00000 0.42148 -0.25663 0.00000 0.33371
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213 12D+2 1.62187 0.00000 0.00000 0.59639 0.00000
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214 12D-2 -1.99255 0.00000 0.00000 0.68049 0.00000
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215 13F 0 0.00000 -0.01906 0.00112 0.00000 -0.00896
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216 13F+1 0.01250 0.00000 0.00000 0.02264 0.00000
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217 13F-1 0.01107 0.00000 0.00000 -0.01279 0.00000
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218 13F+2 0.00000 0.01288 -0.00496 0.00000 0.00535
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219 13F-2 0.00000 -0.02331 0.02520 0.00000 0.00311
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220 13F+3 0.00741 0.00000 0.00000 0.01640 0.00000
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221 13F-3 -0.03727 0.00000 0.00000 -0.01955 0.00000
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222 14F 0 0.00000 0.72800 -0.18509 0.00000 0.26475
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223 14F+1 -0.61214 0.00000 0.00000 -0.25204 0.00000
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224 14F-1 0.02736 0.00000 0.00000 -0.06488 0.00000
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225 14F+2 0.00000 -0.85439 0.22651 0.00000 -0.23630
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226 14F-2 0.00000 0.46746 -0.21592 0.00000 -0.00753
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227 14F+3 0.23534 0.00000 0.00000 0.28158 0.00000
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|
228 14F-3 -0.51199 0.00000 0.00000 0.40314 0.00000
|
|
229 15G 0 0.00642 0.00000 0.00000 -0.00994 0.00000
|
|
230 15G+1 0.00000 0.02433 -0.01491 0.00000 0.00344
|
|
231 15G-1 0.00000 -0.00144 0.00199 0.00000 -0.00968
|
|
232 15G+2 -0.00230 0.00000 0.00000 -0.01593 0.00000
|
|
233 15G-2 0.02059 0.00000 0.00000 -0.00509 0.00000
|
|
234 15G+3 0.00000 -0.02722 0.01215 0.00000 -0.02374
|
|
235 15G-3 0.00000 0.00600 0.01440 0.00000 0.00325
|
|
236 15G+4 0.00647 0.00000 0.00000 0.01898 0.00000
|
|
237 15G-4 -0.03989 0.00000 0.00000 0.00619 0.00000
|
|
238 4 H 1S -0.01636 0.00000 0.00000 0.06595 0.00000
|
|
239 2S -0.29820 0.00000 0.00000 -2.63173 0.00000
|
|
240 3S 3.83212 0.00000 0.00000 28.27601 0.00000
|
|
241 4S 1.67065 0.00000 0.00000 8.62861 0.00000
|
|
242 5S -0.01105 0.00000 0.00000 0.17063 0.00000
|
|
243 6PX -0.00161 0.00000 0.00000 0.05290 0.00000
|
|
244 6PY 0.02830 0.00000 0.00000 -0.02852 0.00000
|
|
245 6PZ 0.00000 0.00538 0.00333 0.00000 -0.06267
|
|
246 7PX 0.13735 0.00000 0.00000 0.61662 0.00000
|
|
247 7PY -0.26661 0.00000 0.00000 -0.16873 0.00000
|
|
248 7PZ 0.00000 -0.11001 -0.15736 0.00000 0.44951
|
|
249 8PX -1.99770 0.00000 0.00000 -15.89158 0.00000
|
|
250 8PY 1.10193 0.00000 0.00000 5.51449 0.00000
|
|
251 8PZ 0.00000 0.58308 1.33540 0.00000 -0.01327
|
|
252 9PX -0.69536 0.00000 0.00000 -6.07507 0.00000
|
|
253 9PY 0.50968 0.00000 0.00000 2.08915 0.00000
|
|
254 9PZ 0.00000 0.18374 0.54672 0.00000 -0.14519
|
|
255 10D 0 0.03503 0.00000 0.00000 0.08712 0.00000
|
|
256 10D+1 0.00000 0.00722 0.00655 0.00000 -0.01642
|
|
257 10D-1 0.00000 0.01864 0.00116 0.00000 0.00617
|
|
258 10D+2 0.02438 0.00000 0.00000 -0.21009 0.00000
|
|
259 10D-2 0.02948 0.00000 0.00000 0.14444 0.00000
|
|
260 11D 0 -0.43021 0.00000 0.00000 -1.56998 0.00000
|
|
261 11D+1 0.00000 -0.12801 -0.20972 0.00000 -0.17153
|
|
262 11D-1 0.00000 -0.02053 0.06766 0.00000 -0.05257
|
|
263 11D+2 0.04483 0.00000 0.00000 2.74840 0.00000
|
|
264 11D-2 -0.32253 0.00000 0.00000 -2.13537 0.00000
|
|
265 12D 0 -0.40197 0.00000 0.00000 -1.99557 0.00000
|
|
266 12D+1 0.00000 -0.26718 -0.60330 0.00000 0.06937
|
|
267 12D-1 0.00000 0.17077 0.36702 0.00000 -0.34167
|
|
268 12D+2 0.10382 0.00000 0.00000 3.02136 0.00000
|
|
269 12D-2 -0.38043 0.00000 0.00000 -2.45636 0.00000
|
|
270 13F 0 0.00000 -0.01669 -0.03482 0.00000 -0.07628
|
|
271 13F+1 0.00344 0.00000 0.00000 0.13264 0.00000
|
|
272 13F-1 0.01741 0.00000 0.00000 -0.04738 0.00000
|
|
273 13F+2 0.00000 -0.00911 0.02090 0.00000 0.06842
|
|
274 13F-2 0.00000 -0.03069 -0.03907 0.00000 0.00446
|
|
275 13F+3 -0.04439 0.00000 0.00000 -0.06035 0.00000
|
|
276 13F-3 0.01366 0.00000 0.00000 0.15548 0.00000
|
|
277 14F 0 0.00000 -0.07192 -0.05034 0.00000 0.16803
|
|
278 14F+1 0.27170 0.00000 0.00000 0.50582 0.00000
|
|
279 14F-1 -0.18184 0.00000 0.00000 -0.20487 0.00000
|
|
280 14F+2 0.00000 0.05294 0.07825 0.00000 -0.02816
|
|
281 14F-2 0.00000 -0.07080 -0.05388 0.00000 0.22333
|
|
282 14F+3 0.26752 0.00000 0.00000 -0.78583 0.00000
|
|
283 14F-3 0.06145 0.00000 0.00000 1.09803 0.00000
|
|
284 15G 0 0.01313 0.00000 0.00000 0.03113 0.00000
|
|
285 15G+1 0.00000 0.01063 0.03046 0.00000 0.03901
|
|
286 15G-1 0.00000 0.00128 -0.00910 0.00000 0.01370
|
|
287 15G+2 -0.00769 0.00000 0.00000 -0.04876 0.00000
|
|
288 15G-2 0.00649 0.00000 0.00000 0.03104 0.00000
|
|
289 15G+3 0.00000 0.00572 0.01222 0.00000 -0.02701
|
|
290 15G-3 0.00000 0.01713 0.01603 0.00000 -0.01231
|
|
291 15G+4 -0.00278 0.00000 0.00000 0.01349 0.00000
|
|
292 15G-4 -0.00737 0.00000 0.00000 -0.12419 0.00000
|
|
293 5 H 1S -0.02642 0.01864 0.00532 0.00642 0.00304
|
|
294 2S 0.66505 -1.11627 -0.28346 0.09425 0.55328
|
|
295 3S -11.02432 13.36354 4.11102 -1.66788 -5.44204
|
|
296 4S -3.76963 5.11575 0.65773 -1.11896 -2.64789
|
|
297 5S 0.10075 0.00737 0.10835 0.00244 0.17440
|
|
298 6PX 0.07917 0.00608 -0.00738 0.00114 0.02899
|
|
299 6PY -0.03110 -0.04054 -0.03728 0.02001 -0.02665
|
|
300 6PZ -0.02064 -0.04659 -0.00114 0.00191 0.04595
|
|
301 7PX -0.91703 0.07507 0.09740 -0.01791 -0.29607
|
|
302 7PY 0.24487 0.49172 0.43666 -0.17436 0.23721
|
|
303 7PZ 0.03332 0.67721 0.08059 -0.03220 -0.52422
|
|
304 8PX 6.06436 -4.13500 0.51629 0.31736 0.46400
|
|
305 8PY 0.11057 -2.95495 -2.15296 -0.23657 0.42673
|
|
306 8PZ 3.58093 -5.37588 -2.01862 0.88170 3.25367
|
|
307 9PX 2.12765 -1.14980 -0.06652 0.23635 0.37496
|
|
308 9PY 0.14085 -1.35660 -0.47719 0.35800 0.30623
|
|
309 9PZ 1.30114 -2.26115 -0.41384 0.25248 1.28031
|
|
310 10D 0 0.01193 0.01105 -0.05462 0.01839 0.06498
|
|
311 10D+1 0.14423 -0.14597 0.04450 0.02285 -0.00510
|
|
312 10D-1 -0.01272 -0.03629 -0.06189 -0.01931 0.04137
|
|
313 10D+2 0.07829 -0.04809 0.06056 0.01557 -0.01888
|
|
314 10D-2 0.03338 -0.06545 0.00440 -0.03813 -0.00675
|
|
315 11D 0 -0.10228 -0.00969 0.50988 -0.20832 -0.54132
|
|
316 11D+1 -1.40025 1.27234 -0.34600 -0.23927 0.03982
|
|
317 11D-1 0.12272 0.39998 0.52461 0.15362 -0.39950
|
|
318 11D+2 -0.74322 0.39633 -0.52307 -0.15712 0.11494
|
|
319 11D-2 -0.35884 0.52672 -0.01588 0.32912 0.02914
|
|
320 12D 0 0.21534 0.64545 0.09502 -0.11015 -0.73640
|
|
321 12D+1 -1.78107 1.05900 -0.10026 -0.21682 -0.46231
|
|
322 12D-1 0.38719 0.91958 0.73082 -0.01976 -0.17985
|
|
323 12D+2 -1.28068 -0.16744 -0.57406 0.08196 -0.12593
|
|
324 12D-2 -0.51438 0.83077 0.42588 0.17203 -0.02691
|
|
325 13F 0 0.01682 -0.00160 -0.00299 0.00813 -0.00815
|
|
326 13F+1 0.00400 0.00029 -0.02005 -0.00995 0.00030
|
|
327 13F-1 0.01593 -0.03738 0.01838 0.00398 -0.00933
|
|
328 13F+2 -0.01052 -0.00211 -0.01394 0.00011 -0.00933
|
|
329 13F-2 0.01315 0.00881 -0.00273 0.00656 0.01515
|
|
330 13F+3 -0.01012 -0.01916 0.00173 0.00610 -0.01235
|
|
331 13F-3 0.00395 0.00811 0.00124 0.01451 0.00624
|
|
332 14F 0 -0.34701 0.18409 -0.02400 -0.01814 0.18054
|
|
333 14F+1 0.42392 -0.37020 0.12503 0.19382 0.11910
|
|
334 14F-1 -0.37694 -0.01872 -0.18573 0.02578 0.20333
|
|
335 14F+2 0.73698 -0.05308 0.40833 0.12178 0.08986
|
|
336 14F-2 0.17751 -0.33143 -0.11934 -0.15580 -0.01457
|
|
337 14F+3 0.16918 0.16908 0.28389 0.03711 -0.03475
|
|
338 14F-3 0.28637 -0.15182 0.13502 -0.15313 0.04034
|
|
339 15G 0 0.00534 -0.02660 0.00208 -0.00038 -0.00623
|
|
340 15G+1 -0.00939 0.00516 0.00935 0.00196 -0.01051
|
|
341 15G-1 -0.00159 0.01273 -0.00242 -0.00089 0.00447
|
|
342 15G+2 -0.02605 -0.00056 -0.00484 0.00145 0.00169
|
|
343 15G-2 -0.01136 0.01542 0.00612 -0.00403 -0.01103
|
|
344 15G+3 -0.00061 0.00895 -0.01353 -0.01277 0.01287
|
|
345 15G-3 -0.01281 0.01005 -0.01064 0.00579 -0.00356
|
|
346 15G+4 0.00485 0.00912 -0.01129 0.00094 -0.00167
|
|
347 15G-4 -0.00814 0.00081 -0.00395 -0.00899 -0.00855
|
|
348 6 H 1S -0.02642 -0.01864 -0.00532 0.00642 -0.00304
|
|
349 2S 0.66505 1.11627 0.28346 0.09425 -0.55328
|
|
350 3S -11.02432 -13.36354 -4.11102 -1.66788 5.44204
|
|
351 4S -3.76963 -5.11575 -0.65773 -1.11896 2.64789
|
|
352 5S 0.10075 -0.00737 -0.10835 0.00244 -0.17440
|
|
353 6PX 0.07917 -0.00608 0.00738 0.00114 -0.02899
|
|
354 6PY -0.03110 0.04054 0.03728 0.02001 0.02665
|
|
355 6PZ 0.02064 -0.04659 -0.00114 -0.00191 0.04595
|
|
356 7PX -0.91703 -0.07507 -0.09740 -0.01791 0.29607
|
|
357 7PY 0.24487 -0.49172 -0.43666 -0.17436 -0.23721
|
|
358 7PZ -0.03332 0.67721 0.08059 0.03220 -0.52422
|
|
359 8PX 6.06436 4.13500 -0.51629 0.31736 -0.46400
|
|
360 8PY 0.11057 2.95495 2.15296 -0.23657 -0.42673
|
|
361 8PZ -3.58093 -5.37588 -2.01862 -0.88170 3.25367
|
|
362 9PX 2.12765 1.14980 0.06652 0.23635 -0.37496
|
|
363 9PY 0.14085 1.35660 0.47719 0.35800 -0.30623
|
|
364 9PZ -1.30114 -2.26115 -0.41384 -0.25248 1.28031
|
|
365 10D 0 0.01193 -0.01105 0.05462 0.01839 -0.06498
|
|
366 10D+1 -0.14423 -0.14597 0.04450 -0.02285 -0.00510
|
|
367 10D-1 0.01272 -0.03629 -0.06189 0.01931 0.04137
|
|
368 10D+2 0.07829 0.04809 -0.06056 0.01557 0.01888
|
|
369 10D-2 0.03338 0.06545 -0.00440 -0.03813 0.00675
|
|
370 11D 0 -0.10228 0.00969 -0.50988 -0.20832 0.54132
|
|
371 11D+1 1.40025 1.27234 -0.34600 0.23927 0.03982
|
|
372 11D-1 -0.12272 0.39998 0.52461 -0.15362 -0.39950
|
|
373 11D+2 -0.74322 -0.39633 0.52307 -0.15712 -0.11494
|
|
374 11D-2 -0.35884 -0.52672 0.01588 0.32912 -0.02914
|
|
375 12D 0 0.21534 -0.64545 -0.09502 -0.11015 0.73640
|
|
376 12D+1 1.78107 1.05900 -0.10026 0.21682 -0.46231
|
|
377 12D-1 -0.38719 0.91958 0.73082 0.01976 -0.17985
|
|
378 12D+2 -1.28068 0.16744 0.57406 0.08196 0.12593
|
|
379 12D-2 -0.51438 -0.83077 -0.42588 0.17203 0.02691
|
|
380 13F 0 -0.01682 -0.00160 -0.00299 -0.00813 -0.00815
|
|
381 13F+1 0.00400 -0.00029 0.02005 -0.00995 -0.00030
|
|
382 13F-1 0.01593 0.03738 -0.01838 0.00398 0.00933
|
|
383 13F+2 0.01052 -0.00211 -0.01394 -0.00011 -0.00933
|
|
384 13F-2 -0.01315 0.00881 -0.00273 -0.00656 0.01515
|
|
385 13F+3 -0.01012 0.01916 -0.00173 0.00610 0.01235
|
|
386 13F-3 0.00395 -0.00811 -0.00124 0.01451 -0.00624
|
|
387 14F 0 0.34701 0.18409 -0.02400 0.01814 0.18054
|
|
388 14F+1 0.42392 0.37020 -0.12503 0.19382 -0.11910
|
|
389 14F-1 -0.37694 0.01872 0.18573 0.02578 -0.20333
|
|
390 14F+2 -0.73698 -0.05308 0.40833 -0.12178 0.08986
|
|
391 14F-2 -0.17751 -0.33143 -0.11934 0.15580 -0.01457
|
|
392 14F+3 0.16918 -0.16908 -0.28389 0.03711 0.03475
|
|
393 14F-3 0.28637 0.15182 -0.13502 -0.15313 -0.04034
|
|
394 15G 0 0.00534 0.02660 -0.00208 -0.00038 0.00623
|
|
395 15G+1 0.00939 0.00516 0.00935 -0.00196 -0.01051
|
|
396 15G-1 0.00159 0.01273 -0.00242 0.00089 0.00447
|
|
397 15G+2 -0.02605 0.00056 0.00484 0.00145 -0.00169
|
|
398 15G-2 -0.01136 -0.01542 -0.00612 -0.00403 0.01103
|
|
399 15G+3 0.00061 0.00895 -0.01353 0.01277 0.01287
|
|
400 15G-3 0.01281 0.01005 -0.01064 -0.00579 -0.00356
|
|
401 15G+4 0.00485 -0.00912 0.01129 0.00094 0.00167
|
|
402 15G-4 -0.00814 -0.00081 0.00395 -0.00899 0.00855
|
|
211 212 213 214 215
|
|
V V V V V
|
|
Eigenvalues -- 7.79383 7.91333 7.96923 7.99818 8.07142
|
|
1 1 C 1S -0.00534 0.00883 0.00000 0.00156 0.00000
|
|
2 2S -0.03095 -0.04772 0.00000 0.05397 0.00000
|
|
3 3S -0.26565 -0.10776 0.00000 0.05699 0.00000
|
|
4 4S 1.49787 -1.20943 0.00000 -1.52903 0.00000
|
|
5 5S -1.70148 2.27065 0.00000 6.43980 0.00000
|
|
6 6S -0.34821 -0.06880 0.00000 -0.49176 0.00000
|
|
7 7PX 0.05629 -0.01120 0.00000 -0.03899 0.00000
|
|
8 7PY -0.01692 0.18700 0.00000 0.22781 0.00000
|
|
9 7PZ 0.00000 0.00000 0.06299 0.00000 0.17068
|
|
10 8PX 0.00980 0.00563 0.00000 0.02586 0.00000
|
|
11 8PY 0.39367 0.12059 0.00000 -0.47431 0.00000
|
|
12 8PZ 0.00000 0.00000 0.12828 0.00000 -1.94282
|
|
13 9PX 1.77236 0.66331 0.00000 -2.39261 0.00000
|
|
14 9PY -2.82074 -0.00511 0.00000 6.19559 0.00000
|
|
15 9PZ 0.00000 0.00000 0.51416 0.00000 21.10479
|
|
16 10PX 0.60525 0.24263 0.00000 0.42141 0.00000
|
|
17 10PY 1.62720 -2.14861 0.00000 -0.82229 0.00000
|
|
18 10PZ 0.00000 0.00000 0.33017 0.00000 6.45972
|
|
19 11PX -0.05058 0.23495 0.00000 -0.08276 0.00000
|
|
20 11PY 0.09333 -0.13885 0.00000 0.02144 0.00000
|
|
21 11PZ 0.00000 0.00000 0.01699 0.00000 0.22451
|
|
22 12D 0 0.00782 -0.01315 0.00000 -0.04936 0.00000
|
|
23 12D+1 0.00000 0.00000 -0.01900 0.00000 -0.10530
|
|
24 12D-1 0.00000 0.00000 -0.03372 0.00000 -0.07004
|
|
25 12D+2 0.04362 -0.03619 0.00000 -0.12304 0.00000
|
|
26 12D-2 -0.02424 0.02389 0.00000 -0.01461 0.00000
|
|
27 13D 0 0.11905 0.08909 0.00000 0.18896 0.00000
|
|
28 13D+1 0.00000 0.00000 0.04090 0.00000 0.60676
|
|
29 13D-1 0.00000 0.00000 0.05467 0.00000 0.26876
|
|
30 13D+2 -0.23150 0.30295 0.00000 0.47896 0.00000
|
|
31 13D-2 0.31257 -0.11056 0.00000 0.10682 0.00000
|
|
32 14D 0 7.51517 3.92315 0.00000 0.23551 0.00000
|
|
33 14D+1 0.00000 0.00000 1.26433 0.00000 -0.06671
|
|
34 14D-1 0.00000 0.00000 1.82987 0.00000 11.39804
|
|
35 14D+2 1.00888 3.17129 0.00000 0.40065 0.00000
|
|
36 14D-2 -5.60298 2.32921 0.00000 -3.33028 0.00000
|
|
37 15D 0 2.44824 0.03136 0.00000 -0.13547 0.00000
|
|
38 15D+1 0.00000 0.00000 0.23230 0.00000 -0.47384
|
|
39 15D-1 0.00000 0.00000 -0.02653 0.00000 3.06796
|
|
40 15D+2 0.41591 0.41723 0.00000 -0.63943 0.00000
|
|
41 15D-2 -1.19556 0.20930 0.00000 -1.07549 0.00000
|
|
42 16F 0 0.00000 0.00000 -0.00595 0.00000 -0.01194
|
|
43 16F+1 -0.04855 -0.02147 0.00000 0.07274 0.00000
|
|
44 16F-1 0.01207 0.00523 0.00000 -0.01013 0.00000
|
|
45 16F+2 0.00000 0.00000 0.00161 0.00000 -0.03704
|
|
46 16F-2 0.00000 0.00000 0.00239 0.00000 0.06499
|
|
47 16F+3 -0.04517 -0.07170 0.00000 0.07041 0.00000
|
|
48 16F-3 -0.00797 0.02683 0.00000 0.01063 0.00000
|
|
49 17F 0 0.00000 0.00000 -1.44291 0.00000 0.16399
|
|
50 17F+1 1.28107 1.03198 0.00000 -0.36191 0.00000
|
|
51 17F-1 -0.46471 0.07414 0.00000 -0.04184 0.00000
|
|
52 17F+2 0.00000 0.00000 -0.70542 0.00000 -0.33207
|
|
53 17F-2 0.00000 0.00000 0.81837 0.00000 0.38780
|
|
54 17F+3 1.54736 0.07594 0.00000 -0.17951 0.00000
|
|
55 17F-3 -0.16782 -0.81076 0.00000 0.25632 0.00000
|
|
56 18F 0 0.00000 0.00000 -0.66909 0.00000 0.21128
|
|
57 18F+1 1.17338 1.52484 0.00000 0.10229 0.00000
|
|
58 18F-1 -0.33694 -0.49865 0.00000 0.40399 0.00000
|
|
59 18F+2 0.00000 0.00000 -0.15166 0.00000 0.04313
|
|
60 18F-2 0.00000 0.00000 0.33889 0.00000 -0.16791
|
|
61 18F+3 1.12718 0.14550 0.00000 -0.61259 0.00000
|
|
62 18F-3 -1.00771 -0.19893 0.00000 0.93399 0.00000
|
|
63 19G 0 -0.02163 -0.03075 0.00000 -0.05894 0.00000
|
|
64 19G+1 0.00000 0.00000 0.10425 0.00000 0.08890
|
|
65 19G-1 0.00000 0.00000 -0.01233 0.00000 0.06650
|
|
66 19G+2 0.00573 -0.02071 0.00000 -0.11674 0.00000
|
|
67 19G-2 0.01526 0.05096 0.00000 0.09804 0.00000
|
|
68 19G+3 0.00000 0.00000 0.06995 0.00000 -0.02255
|
|
69 19G-3 0.00000 0.00000 -0.08980 0.00000 0.08213
|
|
70 19G+4 0.02623 -0.07429 0.00000 -0.02991 0.00000
|
|
71 19G-4 0.04692 0.01877 0.00000 -0.09176 0.00000
|
|
72 20G 0 0.55079 0.27861 0.00000 0.17197 0.00000
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329 13F-2 0.00689 0.00475 0.01276 0.00515 0.01188
|
|
330 13F+3 -0.00359 0.00901 -0.00014 -0.02066 -0.03566
|
|
331 13F-3 0.02074 0.00698 0.01328 0.00068 0.00126
|
|
332 14F 0 -1.05988 -0.29685 0.35658 -0.02794 -0.26183
|
|
333 14F+1 -0.14586 -0.24467 0.18260 -0.06569 0.28222
|
|
334 14F-1 0.18220 0.00699 -0.10118 -0.11533 0.13724
|
|
335 14F+2 -0.42519 -0.25108 0.06029 0.20689 0.70914
|
|
336 14F-2 0.47382 0.15270 -0.16581 0.06958 0.17556
|
|
337 14F+3 -0.27867 -0.24894 0.01900 0.17160 0.47070
|
|
338 14F-3 0.01209 -0.07296 -0.03912 0.03570 0.25879
|
|
339 15G 0 0.00943 0.00495 -0.02197 0.00620 0.01618
|
|
340 15G+1 0.02404 0.00261 -0.00368 -0.00729 -0.02745
|
|
341 15G-1 0.01471 0.00006 -0.00205 -0.00811 -0.00240
|
|
342 15G+2 0.01062 0.01317 -0.00375 -0.00803 -0.02704
|
|
343 15G-2 -0.00957 -0.01307 -0.00578 -0.00181 -0.01561
|
|
344 15G+3 0.02370 -0.00321 -0.00751 0.00675 0.00145
|
|
345 15G-3 -0.01682 -0.00739 -0.00891 -0.01003 -0.02433
|
|
346 15G+4 0.00595 0.00620 0.01040 0.01227 0.01499
|
|
347 15G-4 -0.00044 -0.00748 -0.00487 0.00109 -0.00416
|
|
348 6 H 1S -0.00846 -0.00710 -0.01407 0.04880 -0.00819
|
|
349 2S 0.21031 0.36520 -0.41752 0.71211 -1.09301
|
|
350 3S -1.90290 -3.49342 2.01745 -2.37566 14.04185
|
|
351 4S -1.21477 0.24433 0.38202 0.14165 5.82693
|
|
352 5S 0.03585 -0.12901 -0.00556 0.10738 -0.01815
|
|
353 6PX 0.04556 -0.01376 -0.02126 0.04853 -0.08646
|
|
354 6PY 0.09493 0.05575 -0.02731 0.00322 0.01801
|
|
355 6PZ 0.06875 0.01680 0.00905 -0.04859 0.03781
|
|
356 7PX -0.49698 0.10227 0.23612 -0.47742 1.01275
|
|
357 7PY -0.98913 -0.65318 0.28449 -0.05633 -0.12161
|
|
358 7PZ -0.66563 -0.09621 -0.13134 0.47019 -0.59315
|
|
359 8PX 1.73433 0.55647 0.13692 1.28998 -6.37579
|
|
360 8PY 4.58451 2.78467 0.86339 0.20248 -1.51032
|
|
361 8PZ 1.94264 -0.52033 2.06397 -0.99590 5.92626
|
|
362 9PX 1.21931 -0.43006 -0.00492 0.29459 -2.71471
|
|
363 9PY 1.63935 1.12238 -0.00917 0.05442 -0.30109
|
|
364 9PZ 0.75779 0.18473 0.31673 0.18540 2.51584
|
|
365 10D 0 -0.07686 -0.01338 -0.11161 0.00921 -0.01361
|
|
366 10D+1 -0.00102 -0.01684 0.00350 -0.01467 0.09392
|
|
367 10D-1 -0.08766 -0.04273 -0.05175 -0.00329 0.03007
|
|
368 10D+2 -0.04973 0.00081 -0.01213 0.02132 -0.06696
|
|
369 10D-2 0.05296 0.02507 0.04418 0.00880 -0.02939
|
|
370 11D 0 0.88216 0.19722 1.00403 -0.04153 0.21909
|
|
371 11D+1 0.01754 0.14882 -0.02349 0.14726 -1.16037
|
|
372 11D-1 0.87209 0.44103 0.44042 0.07475 -0.35897
|
|
373 11D+2 0.48652 0.02893 0.11553 -0.18594 0.77637
|
|
374 11D-2 -0.54933 -0.32405 -0.37657 -0.10979 0.32785
|
|
375 12D 0 2.10374 0.63737 0.47436 0.18318 0.37947
|
|
376 12D+1 0.49470 -0.28397 -0.14954 0.29722 -2.15279
|
|
377 12D-1 1.39144 0.73447 0.11147 -0.21313 -0.35993
|
|
378 12D+2 0.55217 0.86938 0.01985 -0.30726 1.47434
|
|
379 12D-2 -1.08286 -0.47780 -0.11561 -0.09731 0.48581
|
|
380 13F 0 -0.03331 -0.01031 -0.00462 0.00416 0.01380
|
|
381 13F+1 -0.01219 0.00799 0.01451 0.00294 -0.03738
|
|
382 13F-1 -0.01620 0.00363 -0.00613 0.00606 0.01041
|
|
383 13F+2 -0.01804 -0.00916 0.00618 0.01018 -0.01994
|
|
384 13F-2 -0.00689 -0.00475 0.01276 -0.00515 0.01188
|
|
385 13F+3 -0.00359 0.00901 0.00014 -0.02066 0.03566
|
|
386 13F-3 0.02074 0.00698 -0.01328 0.00068 -0.00126
|
|
387 14F 0 1.05988 0.29685 0.35658 0.02794 -0.26183
|
|
388 14F+1 -0.14586 -0.24467 -0.18260 -0.06569 -0.28222
|
|
389 14F-1 0.18220 0.00699 0.10118 -0.11533 -0.13724
|
|
390 14F+2 0.42519 0.25108 0.06029 -0.20689 0.70914
|
|
391 14F-2 -0.47382 -0.15270 -0.16581 -0.06958 0.17556
|
|
392 14F+3 -0.27867 -0.24894 -0.01900 0.17160 -0.47070
|
|
393 14F-3 0.01209 -0.07296 0.03912 0.03570 -0.25879
|
|
394 15G 0 0.00943 0.00495 0.02197 0.00620 -0.01618
|
|
395 15G+1 -0.02404 -0.00261 -0.00368 0.00729 -0.02745
|
|
396 15G-1 -0.01471 -0.00006 -0.00205 0.00811 -0.00240
|
|
397 15G+2 0.01062 0.01317 0.00375 -0.00803 0.02704
|
|
398 15G-2 -0.00957 -0.01307 0.00578 -0.00181 0.01561
|
|
399 15G+3 -0.02370 0.00321 -0.00751 -0.00675 0.00145
|
|
400 15G-3 0.01682 0.00739 -0.00891 0.01003 -0.02433
|
|
401 15G+4 0.00595 0.00620 -0.01040 0.01227 -0.01499
|
|
402 15G-4 -0.00044 -0.00748 0.00487 0.00109 0.00416
|
|
216 217 218 219 220
|
|
V V V V V
|
|
Eigenvalues -- 8.08388 8.18696 8.25824 8.32872 8.35432
|
|
1 1 C 1S -0.03458 -0.00597 0.00000 0.00000 -0.03156
|
|
2 2S 0.10151 0.02069 0.00000 0.00000 -0.08302
|
|
3 3S -0.51691 -0.10509 0.00000 0.00000 -1.39822
|
|
4 4S 3.78123 0.95189 0.00000 0.00000 9.58241
|
|
5 5S 4.17586 0.39076 0.00000 0.00000 -10.51595
|
|
6 6S 2.08598 0.51687 0.00000 0.00000 0.76169
|
|
7 7PX -0.03373 0.29814 0.00000 0.00000 0.04129
|
|
8 7PY -0.04624 0.04329 0.00000 0.00000 -0.09352
|
|
9 7PZ 0.00000 0.00000 0.21437 0.09631 0.00000
|
|
10 8PX 0.59204 -3.16442 0.00000 0.00000 0.05768
|
|
11 8PY -0.56879 -0.24644 0.00000 0.00000 0.20613
|
|
12 8PZ 0.00000 0.00000 -2.19193 -1.34939 0.00000
|
|
13 9PX -4.84453 35.27541 0.00000 0.00000 -1.70843
|
|
14 9PY 8.48800 3.15008 0.00000 0.00000 -0.84569
|
|
15 9PZ 0.00000 0.00000 24.13890 12.51134 0.00000
|
|
16 10PX -2.28766 12.22657 0.00000 0.00000 0.17148
|
|
17 10PY -0.73874 1.67463 0.00000 0.00000 1.30920
|
|
18 10PZ 0.00000 0.00000 7.93258 6.30173 0.00000
|
|
19 11PX 0.06285 0.28367 0.00000 0.00000 0.14134
|
|
20 11PY -0.03254 -0.03898 0.00000 0.00000 -0.17499
|
|
21 11PZ 0.00000 0.00000 0.26261 0.16528 0.00000
|
|
22 12D 0 -0.01665 -0.15965 0.00000 0.00000 0.03781
|
|
23 12D+1 0.00000 0.00000 -0.11661 -0.03661 0.00000
|
|
24 12D-1 0.00000 0.00000 -0.07994 -0.05166 0.00000
|
|
25 12D+2 -0.08016 0.09541 0.00000 0.00000 0.06974
|
|
26 12D-2 0.02464 -0.10286 0.00000 0.00000 -0.03253
|
|
27 13D 0 0.06006 0.98310 0.00000 0.00000 -0.19655
|
|
28 13D+1 0.00000 0.00000 0.58407 0.28247 0.00000
|
|
29 13D-1 0.00000 0.00000 0.59138 0.37120 0.00000
|
|
30 13D+2 0.26502 -0.61431 0.00000 0.00000 -0.02336
|
|
31 13D-2 -0.07437 0.68938 0.00000 0.00000 -0.02478
|
|
32 14D 0 -1.46744 6.42435 0.00000 0.00000 1.41611
|
|
33 14D+1 0.00000 0.00000 6.06749 3.83292 0.00000
|
|
34 14D-1 0.00000 0.00000 5.67404 1.81464 0.00000
|
|
35 14D+2 -2.15762 -4.38240 0.00000 0.00000 0.86903
|
|
36 14D-2 -1.62564 10.22967 0.00000 0.00000 -0.28454
|
|
37 15D 0 -0.97664 1.68956 0.00000 0.00000 0.48633
|
|
38 15D+1 0.00000 0.00000 1.42427 1.63392 0.00000
|
|
39 15D-1 0.00000 0.00000 1.21952 0.59051 0.00000
|
|
40 15D+2 -0.87047 -1.16543 0.00000 0.00000 0.57416
|
|
41 15D-2 -0.41120 3.42506 0.00000 0.00000 -1.05049
|
|
42 16F 0 0.00000 0.00000 0.03907 0.04030 0.00000
|
|
43 16F+1 0.02727 0.00381 0.00000 0.00000 0.01832
|
|
44 16F-1 -0.01261 0.05072 0.00000 0.00000 0.00080
|
|
45 16F+2 0.00000 0.00000 0.05437 0.05630 0.00000
|
|
46 16F-2 0.00000 0.00000 0.01303 0.01074 0.00000
|
|
47 16F+3 -0.12341 0.02649 0.00000 0.00000 0.06834
|
|
48 16F-3 -0.03374 -0.04773 0.00000 0.00000 -0.00279
|
|
49 17F 0 0.00000 0.00000 0.79920 0.26264 0.00000
|
|
50 17F+1 -1.00487 0.26073 0.00000 0.00000 -0.42564
|
|
51 17F-1 -0.06223 0.22095 0.00000 0.00000 -0.31179
|
|
52 17F+2 0.00000 0.00000 1.10449 0.49375 0.00000
|
|
53 17F-2 0.00000 0.00000 0.13055 0.18850 0.00000
|
|
54 17F+3 1.09495 1.23920 0.00000 0.00000 -0.82524
|
|
55 17F-3 0.66979 -0.21307 0.00000 0.00000 -0.83628
|
|
56 18F 0 0.00000 0.00000 0.66564 0.53398 0.00000
|
|
57 18F+1 -1.12979 0.26928 0.00000 0.00000 -1.60385
|
|
58 18F-1 0.50348 -0.07489 0.00000 0.00000 -1.36680
|
|
59 18F+2 0.00000 0.00000 0.49565 0.06867 0.00000
|
|
60 18F-2 0.00000 0.00000 0.07462 0.04709 0.00000
|
|
61 18F+3 0.72044 1.02803 0.00000 0.00000 -0.14936
|
|
62 18F-3 0.60844 0.00694 0.00000 0.00000 -1.18394
|
|
63 19G 0 0.04974 -0.09605 0.00000 0.00000 0.05651
|
|
64 19G+1 0.00000 0.00000 0.08213 0.02215 0.00000
|
|
65 19G-1 0.00000 0.00000 0.16079 0.03983 0.00000
|
|
66 19G+2 -0.00593 0.07689 0.00000 0.00000 0.12541
|
|
67 19G-2 0.18546 0.13309 0.00000 0.00000 0.09432
|
|
68 19G+3 0.00000 0.00000 -0.06198 -0.00429 0.00000
|
|
69 19G-3 0.00000 0.00000 0.11243 0.01270 0.00000
|
|
70 19G+4 0.02889 -0.04473 0.00000 0.00000 0.08526
|
|
71 19G-4 -0.00367 0.17290 0.00000 0.00000 -0.16669
|
|
72 20G 0 -0.53187 -0.70282 0.00000 0.00000 0.07962
|
|
73 20G+1 0.00000 0.00000 1.61811 0.70958 0.00000
|
|
74 20G-1 0.00000 0.00000 0.02298 0.29927 0.00000
|
|
75 20G+2 -0.68545 1.44517 0.00000 0.00000 -0.68117
|
|
76 20G-2 -0.31151 0.33268 0.00000 0.00000 -0.75587
|
|
77 20G+3 0.00000 0.00000 -0.37828 0.30826 0.00000
|
|
78 20G-3 0.00000 0.00000 0.01441 0.65187 0.00000
|
|
79 20G+4 -0.80922 -1.11800 0.00000 0.00000 0.35459
|
|
80 20G-4 -0.79755 0.59839 0.00000 0.00000 0.68859
|
|
81 21H 0 0.00000 0.00000 -0.01319 0.06549 0.00000
|
|
82 21H+1 -0.03219 -0.01697 0.00000 0.00000 0.08010
|
|
83 21H-1 -0.03210 -0.05347 0.00000 0.00000 -0.05716
|
|
84 21H+2 0.00000 0.00000 0.15605 0.02343 0.00000
|
|
85 21H-2 0.00000 0.00000 0.14303 0.21757 0.00000
|
|
86 21H+3 -0.22293 -0.12290 0.00000 0.00000 0.10551
|
|
87 21H-3 -0.14888 0.25047 0.00000 0.00000 -0.02830
|
|
88 21H+4 0.00000 0.00000 0.07389 0.03853 0.00000
|
|
89 21H-4 0.00000 0.00000 -0.07249 0.14685 0.00000
|
|
90 21H+5 -0.00310 -0.07488 0.00000 0.00000 -0.10978
|
|
91 21H-5 0.10208 -0.21339 0.00000 0.00000 -0.04550
|
|
92 2 O 1S -0.01010 0.00262 0.00000 0.00000 -0.02602
|
|
93 2S 0.02111 0.02604 0.00000 0.00000 0.11756
|
|
94 3S -0.04234 0.13632 0.00000 0.00000 0.17533
|
|
95 4S 0.14397 -0.16510 0.00000 0.00000 -1.61061
|
|
96 5S 1.48143 -1.38396 0.00000 0.00000 13.77132
|
|
97 6S -0.66467 -1.14595 0.00000 0.00000 6.93221
|
|
98 7PX -0.00168 0.00291 0.00000 0.00000 0.02080
|
|
99 7PY 0.01086 -0.01882 0.00000 0.00000 -0.04867
|
|
100 7PZ 0.00000 0.00000 -0.03565 0.01115 0.00000
|
|
101 8PX -0.14143 0.02249 0.00000 0.00000 -0.44228
|
|
102 8PY 0.04093 -0.26347 0.00000 0.00000 -0.40233
|
|
103 8PZ 0.00000 0.00000 -0.29394 0.06383 0.00000
|
|
104 9PX 0.98998 -0.54241 0.00000 0.00000 4.34837
|
|
105 9PY 0.00051 1.02329 0.00000 0.00000 0.50263
|
|
106 9PZ 0.00000 0.00000 0.99092 -0.17782 0.00000
|
|
107 10PX 1.33734 -1.26826 0.00000 0.00000 5.19674
|
|
108 10PY 0.12359 1.32077 0.00000 0.00000 2.27789
|
|
109 10PZ 0.00000 0.00000 -0.63791 -0.33947 0.00000
|
|
110 11PX 0.31183 0.08081 0.00000 0.00000 0.81886
|
|
111 11PY -0.13802 -0.21858 0.00000 0.00000 0.06092
|
|
112 11PZ 0.00000 0.00000 -0.11728 -0.24822 0.00000
|
|
113 12D 0 0.01350 0.01208 0.00000 0.00000 0.03133
|
|
114 12D+1 0.00000 0.00000 -0.02773 0.06447 0.00000
|
|
115 12D-1 0.00000 0.00000 0.00848 0.00256 0.00000
|
|
116 12D+2 -0.00259 0.00020 0.00000 0.00000 0.00082
|
|
117 12D-2 -0.00482 0.01283 0.00000 0.00000 0.02335
|
|
118 13D 0 -0.15564 -0.18878 0.00000 0.00000 -0.38438
|
|
119 13D+1 0.00000 0.00000 0.47780 -0.93005 0.00000
|
|
120 13D-1 0.00000 0.00000 -0.07371 -0.02446 0.00000
|
|
121 13D+2 -0.02234 0.00595 0.00000 0.00000 -0.22404
|
|
122 13D-2 0.16655 -0.09275 0.00000 0.00000 -0.17170
|
|
123 14D 0 -0.12960 0.37580 0.00000 0.00000 -0.94121
|
|
124 14D+1 0.00000 0.00000 -0.01544 0.69791 0.00000
|
|
125 14D-1 0.00000 0.00000 0.18839 0.14097 0.00000
|
|
126 14D+2 0.21464 -0.26047 0.00000 0.00000 1.55402
|
|
127 14D-2 -0.06388 0.70166 0.00000 0.00000 -0.49240
|
|
128 15D 0 -0.14240 -0.11831 0.00000 0.00000 -1.36246
|
|
129 15D+1 0.00000 0.00000 -0.21880 0.12950 0.00000
|
|
130 15D-1 0.00000 0.00000 -0.59663 -1.29846 0.00000
|
|
131 15D+2 -0.90179 -0.35621 0.00000 0.00000 2.53644
|
|
132 15D-2 1.15953 0.14095 0.00000 0.00000 0.47556
|
|
133 16F 0 0.00000 0.00000 0.06256 -0.02067 0.00000
|
|
134 16F+1 -0.00393 0.00993 0.00000 0.00000 0.00643
|
|
135 16F-1 0.00857 -0.00736 0.00000 0.00000 0.01009
|
|
136 16F+2 0.00000 0.00000 0.00498 0.06190 0.00000
|
|
137 16F-2 0.00000 0.00000 -0.01305 -0.05622 0.00000
|
|
138 16F+3 -0.03338 0.00168 0.00000 0.00000 -0.02588
|
|
139 16F-3 -0.01933 -0.00497 0.00000 0.00000 0.08556
|
|
140 17F 0 0.00000 0.00000 -0.69274 0.28326 0.00000
|
|
141 17F+1 0.03690 -0.09805 0.00000 0.00000 -0.13685
|
|
142 17F-1 -0.11154 0.07034 0.00000 0.00000 -0.06103
|
|
143 17F+2 0.00000 0.00000 -0.06106 -0.78559 0.00000
|
|
144 17F-2 0.00000 0.00000 0.09202 0.63188 0.00000
|
|
145 17F+3 0.44530 -0.02467 0.00000 0.00000 0.28880
|
|
146 17F-3 0.26470 0.07138 0.00000 0.00000 -1.13176
|
|
147 18F 0 0.00000 0.00000 0.31480 0.04142 0.00000
|
|
148 18F+1 -0.06218 0.21840 0.00000 0.00000 -0.22604
|
|
149 18F-1 -0.04062 -0.36192 0.00000 0.00000 -0.37971
|
|
150 18F+2 0.00000 0.00000 0.45391 1.34136 0.00000
|
|
151 18F-2 0.00000 0.00000 -0.63810 -0.47868 0.00000
|
|
152 18F+3 -1.44255 0.34589 0.00000 0.00000 1.43479
|
|
153 18F-3 -0.56488 0.02937 0.00000 0.00000 1.93034
|
|
154 19G 0 0.00649 -0.00787 0.00000 0.00000 0.01300
|
|
155 19G+1 0.00000 0.00000 0.00633 0.00080 0.00000
|
|
156 19G-1 0.00000 0.00000 -0.00606 -0.00612 0.00000
|
|
157 19G+2 -0.02105 -0.00281 0.00000 0.00000 -0.01345
|
|
158 19G-2 0.00911 0.00211 0.00000 0.00000 0.02434
|
|
159 19G+3 0.00000 0.00000 -0.04250 -0.03156 0.00000
|
|
160 19G-3 0.00000 0.00000 0.01398 -0.02803 0.00000
|
|
161 19G+4 0.03072 -0.00890 0.00000 0.00000 0.01102
|
|
162 19G-4 0.04827 0.01585 0.00000 0.00000 -0.08815
|
|
163 20G 0 -0.06235 0.07443 0.00000 0.00000 0.00218
|
|
164 20G+1 0.00000 0.00000 -0.09687 -0.03160 0.00000
|
|
165 20G-1 0.00000 0.00000 0.08335 0.08480 0.00000
|
|
166 20G+2 0.23274 0.06090 0.00000 0.00000 -0.01186
|
|
167 20G-2 -0.08078 -0.04887 0.00000 0.00000 -0.22410
|
|
168 20G+3 0.00000 0.00000 0.62370 0.41658 0.00000
|
|
169 20G-3 0.00000 0.00000 -0.19730 0.38945 0.00000
|
|
170 20G+4 -0.38685 0.12074 0.00000 0.00000 0.06045
|
|
171 20G-4 -0.63425 -0.12295 0.00000 0.00000 0.93313
|
|
172 21H 0 0.00000 0.00000 -0.00726 0.00276 0.00000
|
|
173 21H+1 0.00080 -0.00386 0.00000 0.00000 0.00569
|
|
174 21H-1 -0.00065 -0.00713 0.00000 0.00000 0.00466
|
|
175 21H+2 0.00000 0.00000 -0.01306 -0.02014 0.00000
|
|
176 21H-2 0.00000 0.00000 -0.00901 0.00446 0.00000
|
|
177 21H+3 0.00749 -0.00690 0.00000 0.00000 -0.01301
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178 21H-3 0.00551 -0.00508 0.00000 0.00000 -0.00389
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179 21H+4 0.00000 0.00000 -0.00807 0.00371 0.00000
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180 21H-4 0.00000 0.00000 -0.02033 -0.01879 0.00000
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181 21H+5 -0.00667 0.00435 0.00000 0.00000 0.02387
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182 21H-5 -0.00334 0.00970 0.00000 0.00000 0.01257
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183 3 H 1S 0.06942 -0.00508 0.00000 0.00000 0.00870
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184 2S 1.15756 -2.03197 0.00000 0.00000 0.51030
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185 3S -4.82179 27.80852 0.00000 0.00000 1.52970
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186 4S -3.14164 12.54527 0.00000 0.00000 -1.35838
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187 5S 0.16312 -0.26407 0.00000 0.00000 0.17069
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188 6PX -0.13585 0.10096 0.00000 0.00000 -0.04538
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189 6PY -0.03831 -0.01202 0.00000 0.00000 -0.00739
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190 6PZ 0.00000 0.00000 -0.03270 -0.00081 0.00000
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191 7PX 1.37303 -1.50493 0.00000 0.00000 0.44520
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192 7PY 0.44496 0.23401 0.00000 0.00000 -0.01514
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193 7PZ 0.00000 0.00000 0.28423 -0.00776 0.00000
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194 8PX -4.75490 14.74742 0.00000 0.00000 -0.20266
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195 8PY -2.48325 -5.20838 0.00000 0.00000 1.38355
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196 8PZ 0.00000 0.00000 -2.38761 -0.68899 0.00000
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197 9PX -1.84739 6.62111 0.00000 0.00000 -0.73797
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198 9PY -0.60283 -1.50323 0.00000 0.00000 0.15877
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199 9PZ 0.00000 0.00000 -0.58161 -0.03592 0.00000
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200 10D 0 -0.00576 0.08579 0.00000 0.00000 -0.01118
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201 10D+1 0.00000 0.00000 0.08300 0.03282 0.00000
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202 10D-1 0.00000 0.00000 -0.03247 -0.00219 0.00000
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203 10D+2 0.08008 -0.09752 0.00000 0.00000 -0.01609
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204 10D-2 0.06429 0.13964 0.00000 0.00000 -0.06936
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205 11D 0 0.08499 -1.11291 0.00000 0.00000 0.10241
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206 11D+1 0.00000 0.00000 -0.91064 -0.39999 0.00000
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207 11D-1 0.00000 0.00000 0.29516 -0.03039 0.00000
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208 11D+2 -1.00067 1.30875 0.00000 0.00000 0.23701
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209 11D-2 -0.68272 -1.51664 0.00000 0.00000 0.61448
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210 12D 0 0.27196 -1.60669 0.00000 0.00000 0.31424
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211 12D+1 0.00000 0.00000 -1.14379 -0.38931 0.00000
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212 12D-1 0.00000 0.00000 0.09519 -0.19236 0.00000
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213 12D+2 -2.10251 2.71095 0.00000 0.00000 -0.38257
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214 12D-2 -1.01559 -1.71715 0.00000 0.00000 0.91056
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215 13F 0 0.00000 0.00000 -0.01754 -0.00377 0.00000
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216 13F+1 0.01734 -0.05501 0.00000 0.00000 0.00823
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217 13F-1 -0.00400 -0.01069 0.00000 0.00000 -0.00070
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218 13F+2 0.00000 0.00000 0.01523 0.00562 0.00000
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219 13F-2 0.00000 0.00000 -0.01297 0.01541 0.00000
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220 13F+3 0.02712 0.01826 0.00000 0.00000 0.02513
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221 13F-3 0.01366 -0.01291 0.00000 0.00000 -0.01204
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222 14F 0 0.00000 0.00000 0.38414 0.14089 0.00000
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223 14F+1 -0.00167 -0.28542 0.00000 0.00000 0.15971
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224 14F-1 0.18818 0.17058 0.00000 0.00000 -0.14414
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225 14F+2 0.00000 0.00000 -0.47063 -0.27708 0.00000
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|
226 14F-2 0.00000 0.00000 0.13596 -0.12541 0.00000
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|
227 14F+3 -1.03785 0.33459 0.00000 0.00000 0.05320
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|
228 14F-3 -0.25955 -0.54261 0.00000 0.00000 0.43046
|
|
229 15G 0 -0.01652 0.04044 0.00000 0.00000 -0.00598
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230 15G+1 0.00000 0.00000 0.01424 0.00307 0.00000
|
|
231 15G-1 0.00000 0.00000 -0.02187 -0.00294 0.00000
|
|
232 15G+2 0.01007 -0.04852 0.00000 0.00000 0.00954
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|
233 15G-2 0.00139 0.00668 0.00000 0.00000 -0.01034
|
|
234 15G+3 0.00000 0.00000 -0.00740 -0.00478 0.00000
|
|
235 15G-3 0.00000 0.00000 0.00141 0.01094 0.00000
|
|
236 15G+4 -0.03059 0.00586 0.00000 0.00000 0.02580
|
|
237 15G-4 0.00516 -0.04330 0.00000 0.00000 0.00648
|
|
238 4 H 1S 0.04252 -0.00958 0.00000 0.00000 -0.11490
|
|
239 2S 0.36833 -0.47872 0.00000 0.00000 2.38571
|
|
240 3S -1.07271 2.91053 0.00000 0.00000 -12.74573
|
|
241 4S -1.19035 1.57389 0.00000 0.00000 -4.31742
|
|
242 5S -0.03230 -0.21110 0.00000 0.00000 -0.23887
|
|
243 6PX 0.00511 -0.01282 0.00000 0.00000 -0.02315
|
|
244 6PY -0.06793 0.00709 0.00000 0.00000 -0.00657
|
|
245 6PZ 0.00000 0.00000 0.04479 -0.00676 0.00000
|
|
246 7PX -0.11380 0.20242 0.00000 0.00000 -0.40549
|
|
247 7PY 0.58082 -0.07454 0.00000 0.00000 0.45620
|
|
248 7PZ 0.00000 0.00000 -0.43302 0.24284 0.00000
|
|
249 8PX 1.33365 -1.77146 0.00000 0.00000 5.86083
|
|
250 8PY -0.26117 0.03196 0.00000 0.00000 -5.26421
|
|
251 8PZ 0.00000 0.00000 -0.21776 -0.75514 0.00000
|
|
252 9PX 0.51121 -0.72791 0.00000 0.00000 2.28677
|
|
253 9PY -0.43873 0.68767 0.00000 0.00000 -2.04147
|
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254 9PZ 0.00000 0.00000 0.10996 -0.34074 0.00000
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255 10D 0 0.02200 0.01071 0.00000 0.00000 -0.12332
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256 10D+1 0.00000 0.00000 -0.08431 0.12244 0.00000
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257 10D-1 0.00000 0.00000 0.04562 -0.00123 0.00000
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258 10D+2 -0.00133 -0.02821 0.00000 0.00000 0.11632
|
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259 10D-2 -0.03150 -0.00899 0.00000 0.00000 -0.11706
|
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260 11D 0 -0.02360 -0.20852 0.00000 0.00000 1.04305
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261 11D+1 0.00000 0.00000 0.62582 -0.54685 0.00000
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262 11D-1 0.00000 0.00000 -0.29709 -0.07704 0.00000
|
|
263 11D+2 -0.33100 0.39614 0.00000 0.00000 -0.74316
|
|
264 11D-2 0.08626 0.12719 0.00000 0.00000 1.35976
|
|
265 12D 0 0.41208 -0.33777 0.00000 0.00000 0.92290
|
|
266 12D+1 0.00000 0.00000 -0.15550 0.48988 0.00000
|
|
267 12D-1 0.00000 0.00000 0.17414 -0.25345 0.00000
|
|
268 12D+2 -0.13824 0.18723 0.00000 0.00000 -0.23367
|
|
269 12D-2 0.32465 0.00995 0.00000 0.00000 1.95566
|
|
270 13F 0 0.00000 0.00000 -0.00175 0.08383 0.00000
|
|
271 13F+1 -0.01940 0.01484 0.00000 0.00000 -0.04187
|
|
272 13F-1 -0.02718 -0.00009 0.00000 0.00000 0.02429
|
|
273 13F+2 0.00000 0.00000 0.02242 -0.09515 0.00000
|
|
274 13F-2 0.00000 0.00000 -0.02604 0.04380 0.00000
|
|
275 13F+3 0.07188 -0.00807 0.00000 0.00000 -0.02415
|
|
276 13F-3 0.05244 0.00775 0.00000 0.00000 -0.08347
|
|
277 14F 0 0.00000 0.00000 0.02533 -0.22108 0.00000
|
|
278 14F+1 0.00830 0.14450 0.00000 0.00000 -0.35927
|
|
279 14F-1 0.14785 0.03009 0.00000 0.00000 0.15422
|
|
280 14F+2 0.00000 0.00000 -0.13970 0.33108 0.00000
|
|
281 14F-2 0.00000 0.00000 0.13837 0.09352 0.00000
|
|
282 14F+3 -0.13522 -0.17511 0.00000 0.00000 -0.04373
|
|
283 14F-3 -0.27367 -0.17367 0.00000 0.00000 -0.41226
|
|
284 15G 0 0.01133 0.00996 0.00000 0.00000 -0.04783
|
|
285 15G+1 0.00000 0.00000 -0.02386 -0.01292 0.00000
|
|
286 15G-1 0.00000 0.00000 0.00433 0.01309 0.00000
|
|
287 15G+2 0.00460 -0.00793 0.00000 0.00000 0.03105
|
|
288 15G-2 0.01565 0.00567 0.00000 0.00000 -0.04307
|
|
289 15G+3 0.00000 0.00000 -0.01178 -0.00919 0.00000
|
|
290 15G-3 0.00000 0.00000 -0.00720 -0.01949 0.00000
|
|
291 15G+4 -0.01863 0.00770 0.00000 0.00000 0.02658
|
|
292 15G-4 0.01761 0.00692 0.00000 0.00000 0.03235
|
|
293 5 H 1S 0.06300 0.02800 0.01412 0.01415 0.04339
|
|
294 2S 0.84973 1.46824 1.54502 0.64804 0.72405
|
|
295 3S -0.38294 -14.42808 -16.54490 -8.79540 2.59581
|
|
296 4S -0.42121 -7.27940 -7.28425 -5.06425 -1.16740
|
|
297 5S -0.11929 0.18820 0.09030 0.19503 0.06397
|
|
298 6PX 0.06805 -0.03671 0.05787 0.02411 0.03764
|
|
299 6PY 0.00908 0.02836 0.05212 0.02305 0.03375
|
|
300 6PZ 0.08318 0.11900 0.05502 0.01254 0.05338
|
|
301 7PX -0.68233 0.27004 -0.70816 -0.31896 -0.32523
|
|
302 7PY -0.07292 -0.34516 -0.62951 -0.27729 -0.35317
|
|
303 7PZ -0.79783 -1.41098 -0.79684 -0.21117 -0.48610
|
|
304 8PX 1.76003 0.14547 5.01262 2.24606 0.69606
|
|
305 8PY -1.49907 3.53255 5.23898 3.02490 0.19924
|
|
306 8PZ 1.49390 8.78122 6.72769 3.21672 -0.16326
|
|
307 9PX 0.51618 0.39794 2.03640 1.05962 0.37510
|
|
308 9PY -0.27504 1.19312 1.99245 1.30365 0.69476
|
|
309 9PZ 0.41117 4.00537 3.06055 1.65248 0.14265
|
|
310 10D 0 0.02801 0.10059 -0.00388 0.00189 -0.01065
|
|
311 10D+1 0.03296 0.00245 0.07311 0.01114 0.01656
|
|
312 10D-1 -0.03675 0.07907 0.09167 0.06245 -0.00847
|
|
313 10D+2 0.04200 -0.04818 -0.03248 -0.01389 0.01005
|
|
314 10D-2 -0.01878 0.02001 0.06522 0.03006 0.00519
|
|
315 11D 0 -0.28172 -1.28124 -0.01955 -0.08410 0.13590
|
|
316 11D+1 -0.38057 -0.04171 -0.92349 -0.28481 -0.15396
|
|
317 11D-1 0.43961 -0.88621 -0.99268 -0.73660 0.11850
|
|
318 11D+2 -0.48083 0.56986 0.35006 0.13719 -0.14551
|
|
319 11D-2 0.22196 -0.21073 -0.69822 -0.37997 -0.09709
|
|
320 12D 0 -0.45161 -2.74772 -0.38642 -0.09603 0.04341
|
|
321 12D+1 -0.85757 -0.11199 -1.62914 -0.57563 -0.46236
|
|
322 12D-1 0.15719 -1.25427 -1.56253 -0.80970 -0.49228
|
|
323 12D+2 -0.72281 0.83083 0.12743 0.08148 0.00339
|
|
324 12D-2 0.07247 -0.34812 -1.01758 -0.54757 -0.49182
|
|
325 13F 0 -0.00780 -0.02852 0.02413 0.00893 -0.00170
|
|
326 13F+1 0.00503 0.02824 0.02102 0.02027 -0.01414
|
|
327 13F-1 -0.01851 0.02390 0.02018 -0.00111 0.01165
|
|
328 13F+2 -0.01868 0.02159 0.01151 0.00299 -0.00737
|
|
329 13F-2 -0.00458 -0.01145 -0.00454 0.00252 -0.00928
|
|
330 13F+3 -0.01476 0.00848 0.00712 0.00095 0.01362
|
|
331 13F-3 -0.00326 -0.00204 0.01693 0.00849 0.01146
|
|
332 14F 0 0.11634 0.93448 -0.41454 -0.13077 -0.09629
|
|
333 14F+1 0.27863 0.09748 0.28238 -0.02647 0.10810
|
|
334 14F-1 0.02373 0.35004 0.14349 0.21048 0.05286
|
|
335 14F+2 0.40805 -0.49693 -0.16701 -0.04992 0.08765
|
|
336 14F-2 0.01544 0.19048 0.41931 0.20638 0.20909
|
|
337 14F+3 0.25199 -0.29959 -0.24303 -0.08578 -0.12000
|
|
338 14F-3 0.01330 -0.07375 -0.07696 0.04867 0.08444
|
|
339 15G 0 0.00511 0.00241 0.02516 0.01074 0.00368
|
|
340 15G+1 -0.02170 -0.03478 -0.02311 -0.00801 0.00651
|
|
341 15G-1 0.01110 -0.04063 -0.00975 -0.00274 -0.00735
|
|
342 15G+2 -0.01208 0.00955 0.00182 0.00336 0.01175
|
|
343 15G-2 -0.00021 -0.01336 -0.02384 -0.01711 -0.00869
|
|
344 15G+3 -0.00372 0.00922 0.01671 0.01435 -0.00746
|
|
345 15G-3 -0.00377 0.01128 -0.01696 -0.00803 -0.00843
|
|
346 15G+4 0.00073 0.00265 0.01316 -0.00185 -0.00222
|
|
347 15G-4 -0.00364 0.00165 0.00761 -0.01020 -0.00501
|
|
348 6 H 1S 0.06300 0.02800 -0.01412 -0.01415 0.04339
|
|
349 2S 0.84973 1.46824 -1.54502 -0.64804 0.72405
|
|
350 3S -0.38294 -14.42808 16.54490 8.79540 2.59581
|
|
351 4S -0.42121 -7.27940 7.28425 5.06425 -1.16740
|
|
352 5S -0.11929 0.18820 -0.09030 -0.19503 0.06397
|
|
353 6PX 0.06805 -0.03671 -0.05787 -0.02411 0.03764
|
|
354 6PY 0.00908 0.02836 -0.05212 -0.02305 0.03375
|
|
355 6PZ -0.08318 -0.11900 0.05502 0.01254 -0.05338
|
|
356 7PX -0.68233 0.27004 0.70816 0.31896 -0.32523
|
|
357 7PY -0.07292 -0.34516 0.62951 0.27729 -0.35317
|
|
358 7PZ 0.79783 1.41098 -0.79684 -0.21117 0.48610
|
|
359 8PX 1.76003 0.14547 -5.01262 -2.24606 0.69606
|
|
360 8PY -1.49907 3.53255 -5.23898 -3.02490 0.19924
|
|
361 8PZ -1.49390 -8.78122 6.72769 3.21672 0.16326
|
|
362 9PX 0.51618 0.39794 -2.03640 -1.05962 0.37510
|
|
363 9PY -0.27504 1.19312 -1.99245 -1.30365 0.69476
|
|
364 9PZ -0.41117 -4.00537 3.06055 1.65248 -0.14265
|
|
365 10D 0 0.02801 0.10059 0.00388 -0.00189 -0.01065
|
|
366 10D+1 -0.03296 -0.00245 0.07311 0.01114 -0.01656
|
|
367 10D-1 0.03675 -0.07907 0.09167 0.06245 0.00847
|
|
368 10D+2 0.04200 -0.04818 0.03248 0.01389 0.01005
|
|
369 10D-2 -0.01878 0.02001 -0.06522 -0.03006 0.00519
|
|
370 11D 0 -0.28172 -1.28124 0.01955 0.08410 0.13590
|
|
371 11D+1 0.38057 0.04171 -0.92349 -0.28481 0.15396
|
|
372 11D-1 -0.43961 0.88621 -0.99268 -0.73660 -0.11850
|
|
373 11D+2 -0.48083 0.56986 -0.35006 -0.13719 -0.14551
|
|
374 11D-2 0.22196 -0.21073 0.69822 0.37997 -0.09709
|
|
375 12D 0 -0.45161 -2.74772 0.38642 0.09603 0.04341
|
|
376 12D+1 0.85757 0.11199 -1.62914 -0.57563 0.46236
|
|
377 12D-1 -0.15719 1.25427 -1.56253 -0.80970 0.49228
|
|
378 12D+2 -0.72281 0.83083 -0.12743 -0.08148 0.00339
|
|
379 12D-2 0.07247 -0.34812 1.01758 0.54757 -0.49182
|
|
380 13F 0 0.00780 0.02852 0.02413 0.00893 0.00170
|
|
381 13F+1 0.00503 0.02824 -0.02102 -0.02027 -0.01414
|
|
382 13F-1 -0.01851 0.02390 -0.02018 0.00111 0.01165
|
|
383 13F+2 0.01868 -0.02159 0.01151 0.00299 0.00737
|
|
384 13F-2 0.00458 0.01145 -0.00454 0.00252 0.00928
|
|
385 13F+3 -0.01476 0.00848 -0.00712 -0.00095 0.01362
|
|
386 13F-3 -0.00326 -0.00204 -0.01693 -0.00849 0.01146
|
|
387 14F 0 -0.11634 -0.93448 -0.41454 -0.13077 0.09629
|
|
388 14F+1 0.27863 0.09748 -0.28238 0.02647 0.10810
|
|
389 14F-1 0.02373 0.35004 -0.14349 -0.21048 0.05286
|
|
390 14F+2 -0.40805 0.49693 -0.16701 -0.04992 -0.08765
|
|
391 14F-2 -0.01544 -0.19048 0.41931 0.20638 -0.20909
|
|
392 14F+3 0.25199 -0.29959 0.24303 0.08578 -0.12000
|
|
393 14F-3 0.01330 -0.07375 0.07696 -0.04867 0.08444
|
|
394 15G 0 0.00511 0.00241 -0.02516 -0.01074 0.00368
|
|
395 15G+1 0.02170 0.03478 -0.02311 -0.00801 -0.00651
|
|
396 15G-1 -0.01110 0.04063 -0.00975 -0.00274 0.00735
|
|
397 15G+2 -0.01208 0.00955 -0.00182 -0.00336 0.01175
|
|
398 15G-2 -0.00021 -0.01336 0.02384 0.01711 -0.00869
|
|
399 15G+3 0.00372 -0.00922 0.01671 0.01435 0.00746
|
|
400 15G-3 0.00377 -0.01128 -0.01696 -0.00803 0.00843
|
|
401 15G+4 0.00073 0.00265 -0.01316 0.00185 -0.00222
|
|
402 15G-4 -0.00364 0.00165 -0.00761 0.01020 -0.00501
|
|
221 222 223 224 225
|
|
V V V V V
|
|
Eigenvalues -- 8.59625 8.61565 8.88607 9.05026 9.28414
|
|
1 1 C 1S 0.01731 -0.00847 -0.00866 0.00000 0.00062
|
|
2 2S -0.13597 -0.16501 -0.21368 0.00000 -0.75658
|
|
3 3S -0.32233 -1.20878 -1.38998 0.00000 -4.21994
|
|
4 4S 0.21937 1.94295 0.57486 0.00000 9.60683
|
|
5 5S -2.91566 11.72335 17.62752 0.00000 10.08733
|
|
6 6S -0.12148 1.25695 1.02016 0.00000 0.99776
|
|
7 7PX -0.03189 -0.09534 0.03837 0.00000 -0.04138
|
|
8 7PY 0.17445 0.18404 0.14677 0.00000 0.07813
|
|
9 7PZ 0.00000 0.00000 0.00000 -0.03548 0.00000
|
|
10 8PX 0.34977 0.33206 -0.15950 0.00000 0.48742
|
|
11 8PY -0.50691 -0.16969 -1.32082 0.00000 -2.00861
|
|
12 8PZ 0.00000 0.00000 0.00000 -0.31444 0.00000
|
|
13 9PX -3.53830 -5.19090 1.36529 0.00000 -3.82561
|
|
14 9PY 3.10822 0.15531 7.05618 0.00000 14.04552
|
|
15 9PZ 0.00000 0.00000 0.00000 3.23440 0.00000
|
|
16 10PX -1.50912 -0.96892 -0.64021 0.00000 -2.35269
|
|
17 10PY 2.03874 1.41749 4.46621 0.00000 8.96537
|
|
18 10PZ 0.00000 0.00000 0.00000 1.47854 0.00000
|
|
19 11PX -0.12156 -0.18032 0.05259 0.00000 -0.02290
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276 13F-3 -0.00773 0.07217 0.01903 0.00000 -0.04560
|
|
277 14F 0 0.00000 0.00000 0.00000 -0.12552 0.00000
|
|
278 14F+1 -0.29771 0.89809 0.15929 0.00000 -0.13436
|
|
279 14F-1 0.20100 -0.46680 0.02394 0.00000 0.15420
|
|
280 14F+2 0.00000 0.00000 0.00000 0.05455 0.00000
|
|
281 14F-2 0.00000 0.00000 0.00000 -0.20573 0.00000
|
|
282 14F+3 0.00081 0.04029 -0.46472 0.00000 -0.30278
|
|
283 14F-3 -0.77069 0.80023 -0.05830 0.00000 -0.11726
|
|
284 15G 0 -0.01558 0.03133 0.00814 0.00000 -0.02389
|
|
285 15G+1 0.00000 0.00000 0.00000 0.03110 0.00000
|
|
286 15G-1 0.00000 0.00000 0.00000 -0.00727 0.00000
|
|
287 15G+2 0.01543 -0.04917 -0.03467 0.00000 0.02607
|
|
288 15G-2 -0.03468 0.04393 -0.00346 0.00000 -0.02342
|
|
289 15G+3 0.00000 0.00000 0.00000 0.00744 0.00000
|
|
290 15G-3 0.00000 0.00000 0.00000 0.01138 0.00000
|
|
291 15G+4 -0.00795 0.00991 0.06032 0.00000 0.01423
|
|
292 15G-4 0.05834 -0.06613 -0.02586 0.00000 0.04331
|
|
293 5 H 1S -0.01773 0.02297 0.03761 0.04124 -0.03552
|
|
294 2S -0.40403 0.61090 0.92779 0.01559 0.57253
|
|
295 3S 1.55071 -1.92400 -7.40270 -1.35676 -6.69207
|
|
296 4S 0.31965 -1.44900 -2.48407 -0.91209 -3.57957
|
|
297 5S 0.02830 0.02952 -0.05388 0.23624 -0.06043
|
|
298 6PX -0.02190 0.01255 0.01410 0.00257 0.00176
|
|
299 6PY -0.02027 0.01752 0.02172 0.01727 -0.00766
|
|
300 6PZ -0.02269 0.02700 0.04097 0.00087 0.00212
|
|
301 7PX 0.23378 -0.09563 -0.16932 -0.04069 -0.10316
|
|
302 7PY 0.19910 -0.11256 -0.26899 -0.21388 -0.01058
|
|
303 7PZ 0.19331 -0.27302 -0.47008 -0.01648 -0.14067
|
|
304 8PX -0.18406 0.31727 1.39843 0.44797 1.83322
|
|
305 8PY -0.81891 0.56960 1.73505 0.59054 1.14260
|
|
306 8PZ -0.55681 0.46310 2.91202 0.72704 3.31371
|
|
307 9PX -0.07015 0.08927 0.43994 0.18330 0.92932
|
|
308 9PY -0.19421 0.10482 0.40631 0.43408 0.45724
|
|
309 9PZ -0.06723 0.49479 1.22853 0.32414 1.85167
|
|
310 10D 0 0.00026 -0.01076 0.00773 0.01461 0.01411
|
|
311 10D+1 0.00985 0.01259 0.02650 0.01183 0.01157
|
|
312 10D-1 -0.02573 0.00921 0.01787 -0.03315 0.05273
|
|
313 10D+2 0.02661 0.00068 -0.01112 0.01373 -0.00575
|
|
314 10D-2 0.00751 0.01694 0.01764 -0.03425 0.02543
|
|
315 11D 0 -0.00682 0.07093 -0.18264 -0.12389 -0.39413
|
|
316 11D+1 -0.03469 -0.04477 -0.31426 -0.15751 -0.45325
|
|
317 11D-1 0.18868 -0.11018 -0.31524 -0.05814 -0.44310
|
|
318 11D+2 -0.22721 -0.04187 0.09298 -0.05716 -0.07365
|
|
319 11D-2 -0.07561 -0.18305 -0.22120 0.06896 -0.19294
|
|
320 12D 0 -0.04474 -0.09589 -0.37377 0.09673 -0.69914
|
|
321 12D+1 0.15036 0.00915 -0.29423 -0.16120 -0.79087
|
|
322 12D-1 0.18059 -0.03042 -0.29795 -0.36159 -0.55090
|
|
323 12D+2 -0.10878 -0.03316 0.12412 0.23265 -0.26703
|
|
324 12D-2 -0.05773 -0.01530 -0.12025 -0.09422 -0.19708
|
|
325 13F 0 -0.01355 0.01513 0.00537 -0.00118 0.00899
|
|
326 13F+1 0.00337 0.00571 -0.00776 -0.03914 0.02558
|
|
327 13F-1 0.01305 0.01043 0.01742 0.02060 -0.00976
|
|
328 13F+2 -0.01558 0.00820 0.00614 -0.00233 0.01834
|
|
329 13F-2 -0.00341 -0.00959 0.00105 0.00445 -0.00215
|
|
330 13F+3 0.00444 -0.00372 0.01988 -0.01715 -0.00522
|
|
331 13F-3 -0.00570 -0.00280 0.02170 0.03144 -0.00158
|
|
332 14F 0 0.10372 0.01851 0.04965 -0.10044 0.05732
|
|
333 14F+1 -0.09018 -0.08306 0.03409 0.10016 0.20494
|
|
334 14F-1 -0.04498 0.00338 -0.01492 0.07103 0.28143
|
|
335 14F+2 0.10225 0.04850 -0.03691 -0.06785 0.06716
|
|
336 14F-2 0.06271 0.08829 0.10044 0.07058 0.18173
|
|
337 14F+3 -0.02213 0.06476 -0.05111 0.01537 0.05770
|
|
338 14F-3 0.10768 0.05848 -0.12371 -0.13972 0.07054
|
|
339 15G 0 0.00452 -0.00466 0.00983 0.00514 0.00325
|
|
340 15G+1 -0.00807 -0.00464 -0.01220 0.00624 -0.00842
|
|
341 15G-1 -0.00828 -0.01344 -0.01725 -0.03064 -0.01541
|
|
342 15G+2 0.00453 -0.01489 0.01003 0.00411 -0.00955
|
|
343 15G-2 0.00801 0.00328 -0.00844 0.01280 -0.02923
|
|
344 15G+3 -0.01284 0.00517 0.00230 -0.00474 0.00661
|
|
345 15G-3 -0.01697 -0.01034 -0.02261 -0.01469 -0.00975
|
|
346 15G+4 0.00291 -0.00120 0.01074 0.02563 0.00731
|
|
347 15G-4 0.00262 0.00827 -0.01730 -0.02072 -0.00242
|
|
348 6 H 1S -0.01773 0.02297 0.03761 -0.04124 -0.03552
|
|
349 2S -0.40403 0.61090 0.92779 -0.01559 0.57253
|
|
350 3S 1.55071 -1.92400 -7.40270 1.35676 -6.69207
|
|
351 4S 0.31965 -1.44900 -2.48407 0.91209 -3.57957
|
|
352 5S 0.02830 0.02952 -0.05388 -0.23624 -0.06043
|
|
353 6PX -0.02190 0.01255 0.01410 -0.00257 0.00176
|
|
354 6PY -0.02027 0.01752 0.02172 -0.01727 -0.00766
|
|
355 6PZ 0.02269 -0.02700 -0.04097 0.00087 -0.00212
|
|
356 7PX 0.23378 -0.09563 -0.16932 0.04069 -0.10316
|
|
357 7PY 0.19910 -0.11256 -0.26899 0.21388 -0.01058
|
|
358 7PZ -0.19331 0.27302 0.47008 -0.01648 0.14067
|
|
359 8PX -0.18406 0.31727 1.39843 -0.44797 1.83322
|
|
360 8PY -0.81891 0.56960 1.73505 -0.59054 1.14260
|
|
361 8PZ 0.55681 -0.46310 -2.91202 0.72704 -3.31371
|
|
362 9PX -0.07015 0.08927 0.43994 -0.18330 0.92932
|
|
363 9PY -0.19421 0.10482 0.40631 -0.43408 0.45724
|
|
364 9PZ 0.06723 -0.49479 -1.22853 0.32414 -1.85167
|
|
365 10D 0 0.00026 -0.01076 0.00773 -0.01461 0.01411
|
|
366 10D+1 -0.00985 -0.01259 -0.02650 0.01183 -0.01157
|
|
367 10D-1 0.02573 -0.00921 -0.01787 -0.03315 -0.05273
|
|
368 10D+2 0.02661 0.00068 -0.01112 -0.01373 -0.00575
|
|
369 10D-2 0.00751 0.01694 0.01764 0.03425 0.02543
|
|
370 11D 0 -0.00682 0.07093 -0.18264 0.12389 -0.39413
|
|
371 11D+1 0.03469 0.04477 0.31426 -0.15751 0.45325
|
|
372 11D-1 -0.18868 0.11018 0.31524 -0.05814 0.44310
|
|
373 11D+2 -0.22721 -0.04187 0.09298 0.05716 -0.07365
|
|
374 11D-2 -0.07561 -0.18305 -0.22120 -0.06896 -0.19294
|
|
375 12D 0 -0.04474 -0.09589 -0.37377 -0.09673 -0.69914
|
|
376 12D+1 -0.15036 -0.00915 0.29423 -0.16120 0.79087
|
|
377 12D-1 -0.18059 0.03042 0.29795 -0.36159 0.55090
|
|
378 12D+2 -0.10878 -0.03316 0.12412 -0.23265 -0.26703
|
|
379 12D-2 -0.05773 -0.01530 -0.12025 0.09422 -0.19708
|
|
380 13F 0 0.01355 -0.01513 -0.00537 -0.00118 -0.00899
|
|
381 13F+1 0.00337 0.00571 -0.00776 0.03914 0.02558
|
|
382 13F-1 0.01305 0.01043 0.01742 -0.02060 -0.00976
|
|
383 13F+2 0.01558 -0.00820 -0.00614 -0.00233 -0.01834
|
|
384 13F-2 0.00341 0.00959 -0.00105 0.00445 0.00215
|
|
385 13F+3 0.00444 -0.00372 0.01988 0.01715 -0.00522
|
|
386 13F-3 -0.00570 -0.00280 0.02170 -0.03144 -0.00158
|
|
387 14F 0 -0.10372 -0.01851 -0.04965 -0.10044 -0.05732
|
|
388 14F+1 -0.09018 -0.08306 0.03409 -0.10016 0.20494
|
|
389 14F-1 -0.04498 0.00338 -0.01492 -0.07103 0.28143
|
|
390 14F+2 -0.10225 -0.04850 0.03691 -0.06785 -0.06716
|
|
391 14F-2 -0.06271 -0.08829 -0.10044 0.07058 -0.18173
|
|
392 14F+3 -0.02213 0.06476 -0.05111 -0.01537 0.05770
|
|
393 14F-3 0.10768 0.05848 -0.12371 0.13972 0.07054
|
|
394 15G 0 0.00452 -0.00466 0.00983 -0.00514 0.00325
|
|
395 15G+1 0.00807 0.00464 0.01220 0.00624 0.00842
|
|
396 15G-1 0.00828 0.01344 0.01725 -0.03064 0.01541
|
|
397 15G+2 0.00453 -0.01489 0.01003 -0.00411 -0.00955
|
|
398 15G-2 0.00801 0.00328 -0.00844 -0.01280 -0.02923
|
|
399 15G+3 0.01284 -0.00517 -0.00230 -0.00474 -0.00661
|
|
400 15G-3 0.01697 0.01034 0.02261 -0.01469 0.00975
|
|
401 15G+4 0.00291 -0.00120 0.01074 -0.02563 0.00731
|
|
402 15G-4 0.00262 0.00827 -0.01730 0.02072 -0.00242
|
|
226 227 228 229 230
|
|
V V V V V
|
|
Eigenvalues -- 9.44232 9.49599 9.55009 9.57750 9.62210
|
|
1 1 C 1S -0.00594 0.00000 0.00567 0.00000 0.00000
|
|
2 2S -0.04934 0.00000 -0.33350 0.00000 0.00000
|
|
3 3S -0.51995 0.00000 -1.67047 0.00000 0.00000
|
|
4 4S 2.41993 0.00000 2.39200 0.00000 0.00000
|
|
5 5S 1.70010 0.00000 7.73895 0.00000 0.00000
|
|
6 6S 0.27738 0.00000 1.36800 0.00000 0.00000
|
|
7 7PX 0.04851 0.00000 -0.54694 0.00000 0.00000
|
|
8 7PY -0.46479 0.00000 0.00339 0.00000 0.00000
|
|
9 7PZ 0.00000 -0.17195 0.00000 -0.50230 -0.45836
|
|
10 8PX -0.36323 0.00000 0.48011 0.00000 0.00000
|
|
11 8PY -0.19282 0.00000 -0.37159 0.00000 0.00000
|
|
12 8PZ 0.00000 0.27830 0.00000 0.46773 0.31095
|
|
13 9PX 2.49277 0.00000 3.17738 0.00000 0.00000
|
|
14 9PY 4.54361 0.00000 3.32788 0.00000 0.00000
|
|
15 9PZ 0.00000 -0.59104 0.00000 3.33626 4.19465
|
|
16 10PX 1.35284 0.00000 2.45269 0.00000 0.00000
|
|
17 10PY 3.95325 0.00000 1.88010 0.00000 0.00000
|
|
18 10PZ 0.00000 0.20054 0.00000 2.11853 2.25499
|
|
19 11PX -0.07081 0.00000 -0.17387 0.00000 0.00000
|
|
20 11PY 0.08321 0.00000 0.07841 0.00000 0.00000
|
|
21 11PZ 0.00000 0.01401 0.00000 -0.06991 -0.07171
|
|
22 12D 0 0.06301 0.00000 0.10759 0.00000 0.00000
|
|
23 12D+1 0.00000 0.05075 0.00000 0.08898 0.06510
|
|
24 12D-1 0.00000 0.02784 0.00000 0.08442 0.07167
|
|
25 12D+2 0.12558 0.00000 -0.07178 0.00000 0.00000
|
|
26 12D-2 -0.01907 0.00000 0.06681 0.00000 0.00000
|
|
27 13D 0 0.02244 0.00000 0.00649 0.00000 0.00000
|
|
28 13D+1 0.00000 -0.07143 0.00000 0.04006 0.13107
|
|
29 13D-1 0.00000 -0.11592 0.00000 0.03815 0.12142
|
|
30 13D+2 -0.19293 0.00000 -0.00375 0.00000 0.00000
|
|
31 13D-2 0.16681 0.00000 0.06176 0.00000 0.00000
|
|
32 14D 0 2.00444 0.00000 3.44341 0.00000 0.00000
|
|
33 14D+1 0.00000 0.97437 0.00000 2.14918 1.27805
|
|
34 14D-1 0.00000 0.31725 0.00000 1.75979 1.60181
|
|
35 14D+2 3.00936 0.00000 -0.38964 0.00000 0.00000
|
|
36 14D-2 -0.46497 0.00000 0.82104 0.00000 0.00000
|
|
37 15D 0 1.09780 0.00000 0.88213 0.00000 0.00000
|
|
38 15D+1 0.00000 0.17074 0.00000 0.36643 0.43896
|
|
39 15D-1 0.00000 0.18351 0.00000 0.62345 0.44317
|
|
40 15D+2 0.68520 0.00000 0.05212 0.00000 0.00000
|
|
41 15D-2 0.11214 0.00000 0.29225 0.00000 0.00000
|
|
42 16F 0 0.00000 0.17129 0.00000 -0.15827 0.00264
|
|
43 16F+1 -0.14879 0.00000 0.00419 0.00000 0.00000
|
|
44 16F-1 0.04978 0.00000 -0.21513 0.00000 0.00000
|
|
45 16F+2 0.00000 0.08822 0.00000 0.09273 -0.18621
|
|
46 16F-2 0.00000 -0.08369 0.00000 -0.19115 -0.19723
|
|
47 16F+3 0.02818 0.00000 0.03016 0.00000 0.00000
|
|
48 16F-3 0.08212 0.00000 0.10353 0.00000 0.00000
|
|
49 17F 0 0.00000 0.14549 0.00000 0.14988 0.17318
|
|
50 17F+1 0.57814 0.00000 0.56214 0.00000 0.00000
|
|
51 17F-1 -0.23850 0.00000 0.74621 0.00000 0.00000
|
|
52 17F+2 0.00000 0.08187 0.00000 0.18526 0.11636
|
|
53 17F-2 0.00000 0.08509 0.00000 0.62179 0.56506
|
|
54 17F+3 -0.23352 0.00000 0.29004 0.00000 0.00000
|
|
55 17F-3 -0.36261 0.00000 -0.02727 0.00000 0.00000
|
|
56 18F 0 0.00000 0.05210 0.00000 0.34387 -0.00003
|
|
57 18F+1 0.38271 0.00000 0.49845 0.00000 0.00000
|
|
58 18F-1 -0.38507 0.00000 0.42364 0.00000 0.00000
|
|
59 18F+2 0.00000 0.39958 0.00000 0.12608 0.17214
|
|
60 18F-2 0.00000 -0.02081 0.00000 0.36509 0.50822
|
|
61 18F+3 -0.06386 0.00000 0.27826 0.00000 0.00000
|
|
62 18F-3 -0.39479 0.00000 -0.09568 0.00000 0.00000
|
|
63 19G 0 0.10826 0.00000 0.11213 0.00000 0.00000
|
|
64 19G+1 0.00000 0.03025 0.00000 -0.15027 -0.24899
|
|
65 19G-1 0.00000 -0.03249 0.00000 -0.14464 -0.04331
|
|
66 19G+2 0.11038 0.00000 -0.06567 0.00000 0.00000
|
|
67 19G-2 -0.12986 0.00000 -0.10053 0.00000 0.00000
|
|
68 19G+3 0.00000 0.12813 0.00000 0.03191 0.03628
|
|
69 19G-3 0.00000 -0.07003 0.00000 -0.00567 -0.11741
|
|
70 19G+4 0.18076 0.00000 0.06657 0.00000 0.00000
|
|
71 19G-4 0.02246 0.00000 -0.12527 0.00000 0.00000
|
|
72 20G 0 -0.37940 0.00000 -0.43565 0.00000 0.00000
|
|
73 20G+1 0.00000 0.66410 0.00000 0.78636 0.65600
|
|
74 20G-1 0.00000 -0.04527 0.00000 0.01519 1.10508
|
|
75 20G+2 -0.55384 0.00000 0.83322 0.00000 0.00000
|
|
76 20G-2 0.67380 0.00000 0.50540 0.00000 0.00000
|
|
77 20G+3 0.00000 0.44977 0.00000 -0.24299 -0.46269
|
|
78 20G-3 0.00000 -0.55828 0.00000 0.86114 0.18256
|
|
79 20G+4 -0.93364 0.00000 -0.77625 0.00000 0.00000
|
|
80 20G-4 0.23895 0.00000 0.05110 0.00000 0.00000
|
|
81 21H 0 0.00000 -0.72554 0.00000 0.21265 -0.24240
|
|
82 21H+1 -0.37368 0.00000 0.79981 0.00000 0.00000
|
|
83 21H-1 0.56462 0.00000 -0.30402 0.00000 0.00000
|
|
84 21H+2 0.00000 0.40620 0.00000 0.49435 -0.31875
|
|
85 21H-2 0.00000 0.13615 0.00000 0.78961 0.78325
|
|
86 21H+3 -0.13760 0.00000 -0.47471 0.00000 0.00000
|
|
87 21H-3 0.52474 0.00000 0.61582 0.00000 0.00000
|
|
88 21H+4 0.00000 0.36630 0.00000 -0.71654 0.58807
|
|
89 21H-4 0.00000 -0.60133 0.00000 -0.21581 0.38578
|
|
90 21H+5 0.21923 0.00000 0.26115 0.00000 0.00000
|
|
91 21H-5 0.52918 0.00000 0.00910 0.00000 0.00000
|
|
92 2 O 1S -0.01970 0.00000 -0.00606 0.00000 0.00000
|
|
93 2S 0.15565 0.00000 0.05299 0.00000 0.00000
|
|
94 3S 0.41633 0.00000 0.16017 0.00000 0.00000
|
|
95 4S -0.32145 0.00000 -0.29491 0.00000 0.00000
|
|
96 5S 1.86924 0.00000 0.70214 0.00000 0.00000
|
|
97 6S 1.60886 0.00000 0.42353 0.00000 0.00000
|
|
98 7PX 0.03953 0.00000 -0.00237 0.00000 0.00000
|
|
99 7PY 0.01218 0.00000 0.02942 0.00000 0.00000
|
|
100 7PZ 0.00000 -0.02215 0.00000 -0.00597 0.00197
|
|
101 8PX 0.55693 0.00000 0.07847 0.00000 0.00000
|
|
102 8PY -0.64220 0.00000 0.05056 0.00000 0.00000
|
|
103 8PZ 0.00000 -0.07507 0.00000 0.00169 0.00828
|
|
104 9PX -1.67516 0.00000 -0.36968 0.00000 0.00000
|
|
105 9PY 2.53136 0.00000 -0.04813 0.00000 0.00000
|
|
106 9PZ 0.00000 0.26429 0.00000 -0.03874 0.02058
|
|
107 10PX -2.66058 0.00000 -0.10286 0.00000 0.00000
|
|
108 10PY 2.48831 0.00000 -0.21389 0.00000 0.00000
|
|
109 10PZ 0.00000 0.69873 0.00000 0.57734 0.26097
|
|
110 11PX -0.15365 0.00000 0.02760 0.00000 0.00000
|
|
111 11PY 0.30008 0.00000 0.10907 0.00000 0.00000
|
|
112 11PZ 0.00000 -0.03862 0.00000 0.03374 0.04899
|
|
113 12D 0 0.00983 0.00000 0.01210 0.00000 0.00000
|
|
114 12D+1 0.00000 0.02538 0.00000 0.00536 -0.00027
|
|
115 12D-1 0.00000 0.02052 0.00000 -0.00662 -0.01548
|
|
116 12D+2 -0.04727 0.00000 -0.01475 0.00000 0.00000
|
|
117 12D-2 -0.00450 0.00000 -0.01668 0.00000 0.00000
|
|
118 13D 0 -0.22802 0.00000 -0.21198 0.00000 0.00000
|
|
119 13D+1 0.00000 -0.37045 0.00000 -0.07630 -0.02519
|
|
120 13D-1 0.00000 -0.35788 0.00000 0.05189 0.18563
|
|
121 13D+2 0.63105 0.00000 0.25336 0.00000 0.00000
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374 11D-2 -0.06220 -0.16952 -0.29436 0.27074 0.02549
|
|
375 12D 0 -0.25684 -0.07368 -0.09544 0.38633 0.29775
|
|
376 12D+1 0.21617 0.01293 0.56146 -0.25228 -0.37038
|
|
377 12D-1 0.42146 -0.06360 0.35202 -0.18360 -0.35033
|
|
378 12D+2 0.00867 -0.16023 -0.07185 -0.03191 0.12321
|
|
379 12D-2 -0.20700 -0.22366 -0.31597 0.27763 0.15483
|
|
380 13F 0 -0.00335 0.09731 0.01752 -0.04899 0.02977
|
|
381 13F+1 0.01731 0.04699 -0.00357 0.02005 0.01230
|
|
382 13F-1 -0.01294 -0.00364 0.02188 -0.02559 0.07112
|
|
383 13F+2 0.00564 0.05663 -0.01723 0.03784 -0.05854
|
|
384 13F-2 0.00071 0.00761 0.00882 -0.01311 0.04527
|
|
385 13F+3 -0.02571 0.00624 0.07243 -0.03258 0.03204
|
|
386 13F-3 -0.04806 -0.05466 0.01948 0.02101 0.01458
|
|
387 14F 0 -0.06070 -0.32505 -0.01723 0.26965 -0.09548
|
|
388 14F+1 0.01258 -0.28357 0.24944 -0.20421 -0.17373
|
|
389 14F-1 0.27160 -0.03553 0.03290 -0.01099 -0.35655
|
|
390 14F+2 -0.04261 -0.16446 0.03773 -0.07996 0.17073
|
|
391 14F-2 -0.15733 -0.10329 -0.27002 0.28520 0.13244
|
|
392 14F+3 0.04388 -0.03068 -0.18150 0.23012 -0.15068
|
|
393 14F-3 0.13873 0.30839 0.02859 -0.08099 -0.06663
|
|
394 15G 0 -0.00476 0.02547 0.01339 0.00002 0.01873
|
|
395 15G+1 -0.03013 -0.00190 -0.00311 0.01637 0.00389
|
|
396 15G-1 0.00825 -0.01896 -0.03553 0.00222 0.03315
|
|
397 15G+2 0.01689 0.01486 -0.00957 0.00832 -0.01983
|
|
398 15G-2 -0.01481 -0.01532 -0.01730 -0.02190 -0.00111
|
|
399 15G+3 0.00043 -0.00261 0.01087 -0.00362 0.00249
|
|
400 15G-3 -0.01601 0.00546 0.00623 0.00519 0.01621
|
|
401 15G+4 0.00153 -0.00292 0.00491 0.01747 0.02746
|
|
402 15G-4 0.03127 -0.02176 -0.03699 -0.02157 0.00762
|
|
231 232 233 234 235
|
|
V V V V V
|
|
Eigenvalues -- 9.69023 9.75985 9.83742 9.87550 9.91885
|
|
1 1 C 1S 0.01950 0.00358 0.00000 0.02020 0.00000
|
|
2 2S -1.02532 -0.20662 0.00000 -1.17501 0.00000
|
|
3 3S -5.03483 -0.95429 0.00000 -5.84649 0.00000
|
|
4 4S 5.99322 0.64935 0.00000 7.11690 0.00000
|
|
5 5S 25.57116 4.82916 0.00000 31.81598 0.00000
|
|
6 6S 4.13972 1.05633 0.00000 6.61109 0.00000
|
|
7 7PX 0.22657 -0.33892 0.00000 -0.04826 0.00000
|
|
8 7PY 0.40751 0.15416 0.00000 -0.05330 0.00000
|
|
9 7PZ 0.00000 0.00000 -0.03996 0.00000 0.20568
|
|
10 8PX -0.37833 -0.13758 0.00000 0.15030 0.00000
|
|
11 8PY -1.31548 -0.09616 0.00000 -0.31038 0.00000
|
|
12 8PZ 0.00000 0.00000 -0.75435 0.00000 -1.39816
|
|
13 9PX 0.70362 7.94835 0.00000 -1.02480 0.00000
|
|
14 9PY 8.25553 0.18720 0.00000 5.85103 0.00000
|
|
15 9PZ 0.00000 0.00000 9.21876 0.00000 10.11917
|
|
16 10PX 0.13045 3.25437 0.00000 -0.37522 0.00000
|
|
17 10PY 7.05907 0.60999 0.00000 0.76367 0.00000
|
|
18 10PZ 0.00000 0.00000 3.79128 0.00000 3.16661
|
|
19 11PX -0.07403 0.19578 0.00000 -0.02159 0.00000
|
|
20 11PY 0.29620 -0.00834 0.00000 0.06567 0.00000
|
|
21 11PZ 0.00000 0.00000 0.08817 0.00000 0.44328
|
|
22 12D 0 -0.06824 -0.02044 0.00000 -0.00015 0.00000
|
|
23 12D+1 0.00000 0.00000 -0.08508 0.00000 -0.18661
|
|
24 12D-1 0.00000 0.00000 0.03002 0.00000 0.02539
|
|
25 12D+2 -0.02492 -0.02887 0.00000 -0.07082 0.00000
|
|
26 12D-2 -0.03479 0.05014 0.00000 -0.02518 0.00000
|
|
27 13D 0 0.06504 0.27224 0.00000 0.00475 0.00000
|
|
28 13D+1 0.00000 0.00000 0.37534 0.00000 0.49525
|
|
29 13D-1 0.00000 0.00000 0.31461 0.00000 0.05408
|
|
30 13D+2 -0.09128 -0.26368 0.00000 0.27623 0.00000
|
|
31 13D-2 0.15656 0.14956 0.00000 0.01437 0.00000
|
|
32 14D 0 2.33629 0.76086 0.00000 1.71765 0.00000
|
|
33 14D+1 0.00000 0.00000 0.12092 0.00000 -3.13793
|
|
34 14D-1 0.00000 0.00000 2.13490 0.00000 4.08379
|
|
35 14D+2 4.06427 -0.14030 0.00000 -0.12080 0.00000
|
|
36 14D-2 -0.57051 3.14696 0.00000 0.28537 0.00000
|
|
37 15D 0 1.41214 0.53225 0.00000 0.07158 0.00000
|
|
38 15D+1 0.00000 0.00000 0.62771 0.00000 -0.02389
|
|
39 15D-1 0.00000 0.00000 0.19340 0.00000 0.80955
|
|
40 15D+2 1.43359 -0.17407 0.00000 0.04992 0.00000
|
|
41 15D-2 0.33910 0.30503 0.00000 -0.02529 0.00000
|
|
42 16F 0 0.00000 0.00000 -0.01711 0.00000 -0.01442
|
|
43 16F+1 0.08173 0.04701 0.00000 -0.23738 0.00000
|
|
44 16F-1 -0.21145 -0.25654 0.00000 -0.16190 0.00000
|
|
45 16F+2 0.00000 0.00000 0.00360 0.00000 -0.03646
|
|
46 16F-2 0.00000 0.00000 -0.18124 0.00000 -0.03044
|
|
47 16F+3 0.18629 -0.22543 0.00000 -0.12524 0.00000
|
|
48 16F-3 -0.26057 -0.01600 0.00000 -0.29388 0.00000
|
|
49 17F 0 0.00000 0.00000 0.18129 0.00000 -0.09016
|
|
50 17F+1 1.58118 0.28901 0.00000 1.64578 0.00000
|
|
51 17F-1 0.79177 0.62280 0.00000 1.50684 0.00000
|
|
52 17F+2 0.00000 0.00000 0.20185 0.00000 0.03242
|
|
53 17F-2 0.00000 0.00000 0.11665 0.00000 -0.32409
|
|
54 17F+3 -0.61275 0.16858 0.00000 -0.42308 0.00000
|
|
55 17F-3 1.25255 0.13916 0.00000 1.44266 0.00000
|
|
56 18F 0 0.00000 0.00000 -0.00977 0.00000 0.14577
|
|
57 18F+1 1.54316 0.27093 0.00000 1.13713 0.00000
|
|
58 18F-1 0.60788 0.62705 0.00000 0.92119 0.00000
|
|
59 18F+2 0.00000 0.00000 0.21709 0.00000 0.11420
|
|
60 18F-2 0.00000 0.00000 0.18106 0.00000 -0.26967
|
|
61 18F+3 -0.41590 0.10396 0.00000 -0.48883 0.00000
|
|
62 18F-3 0.67073 0.02156 0.00000 0.79250 0.00000
|
|
63 19G 0 -0.11185 0.13130 0.00000 -0.09092 0.00000
|
|
64 19G+1 0.00000 0.00000 -0.02664 0.00000 -0.09665
|
|
65 19G-1 0.00000 0.00000 -0.06000 0.00000 -0.08237
|
|
66 19G+2 0.00912 -0.29926 0.00000 -0.09002 0.00000
|
|
67 19G-2 0.03631 0.01387 0.00000 -0.13642 0.00000
|
|
68 19G+3 0.00000 0.00000 -0.10149 0.00000 0.15035
|
|
69 19G-3 0.00000 0.00000 -0.07361 0.00000 -0.04165
|
|
70 19G+4 -0.22855 -0.08431 0.00000 -0.01809 0.00000
|
|
71 19G-4 0.04542 -0.11656 0.00000 0.05358 0.00000
|
|
72 20G 0 0.41857 -1.06607 0.00000 0.07638 0.00000
|
|
73 20G+1 0.00000 0.00000 1.06415 0.00000 1.37367
|
|
74 20G-1 0.00000 0.00000 0.56404 0.00000 0.34437
|
|
75 20G+2 0.26078 0.89146 0.00000 -0.65436 0.00000
|
|
76 20G-2 0.37774 0.34229 0.00000 1.03628 0.00000
|
|
77 20G+3 0.00000 0.00000 -0.36995 0.00000 -1.40412
|
|
78 20G-3 0.00000 0.00000 0.29449 0.00000 0.03604
|
|
79 20G+4 0.28357 0.59143 0.00000 0.05135 0.00000
|
|
80 20G-4 -0.49388 1.20742 0.00000 -0.40293 0.00000
|
|
81 21H 0 0.00000 0.00000 0.53299 0.00000 0.67966
|
|
82 21H+1 0.10754 -0.41626 0.00000 -0.05516 0.00000
|
|
83 21H-1 -0.01869 -0.22509 0.00000 0.39945 0.00000
|
|
84 21H+2 0.00000 0.00000 -0.13423 0.00000 -0.92126
|
|
85 21H-2 0.00000 0.00000 0.16131 0.00000 0.19019
|
|
86 21H+3 0.47497 0.57182 0.00000 -0.31038 0.00000
|
|
87 21H-3 -0.20336 0.71975 0.00000 -0.07830 0.00000
|
|
88 21H+4 0.00000 0.00000 0.45175 0.00000 0.19368
|
|
89 21H-4 0.00000 0.00000 -0.43021 0.00000 -0.91215
|
|
90 21H+5 -0.13212 0.00122 0.00000 0.01003 0.00000
|
|
91 21H-5 0.42726 -0.49183 0.00000 -0.19637 0.00000
|
|
92 2 O 1S -0.01240 -0.00262 0.00000 0.00364 0.00000
|
|
93 2S 0.11181 0.00306 0.00000 -0.08314 0.00000
|
|
94 3S 0.19896 -0.07043 0.00000 -0.26495 0.00000
|
|
95 4S 1.08494 0.64137 0.00000 0.27509 0.00000
|
|
96 5S -1.55606 -0.32469 0.00000 -1.24280 0.00000
|
|
97 6S -0.00324 0.02191 0.00000 -3.97185 0.00000
|
|
98 7PX 0.04677 0.03321 0.00000 0.00242 0.00000
|
|
99 7PY 0.00895 -0.00801 0.00000 0.08068 0.00000
|
|
100 7PZ 0.00000 0.00000 0.12413 0.00000 -0.06166
|
|
101 8PX 0.41702 0.18700 0.00000 -0.00180 0.00000
|
|
102 8PY -0.13182 -0.01174 0.00000 0.43556 0.00000
|
|
103 8PZ 0.00000 0.00000 0.71172 0.00000 -0.36640
|
|
104 9PX -0.43052 -0.01156 0.00000 -0.95217 0.00000
|
|
105 9PY 0.06305 -0.21204 0.00000 -0.85053 0.00000
|
|
106 9PZ 0.00000 0.00000 -2.81183 0.00000 1.49728
|
|
107 10PX -4.45878 0.17702 0.00000 2.01917 0.00000
|
|
108 10PY 3.44041 0.40863 0.00000 -6.28510 0.00000
|
|
109 10PZ 0.00000 0.00000 -2.88563 0.00000 1.71617
|
|
110 11PX -0.23424 0.03074 0.00000 0.20225 0.00000
|
|
111 11PY 0.29780 0.02385 0.00000 -0.55181 0.00000
|
|
112 11PZ 0.00000 0.00000 -0.00457 0.00000 -0.19249
|
|
113 12D 0 0.03466 0.00162 0.00000 -0.00561 0.00000
|
|
114 12D+1 0.00000 0.00000 -0.08108 0.00000 0.05053
|
|
115 12D-1 0.00000 0.00000 0.01256 0.00000 -0.01478
|
|
116 12D+2 -0.03607 0.00822 0.00000 0.01667 0.00000
|
|
117 12D-2 0.02749 0.00390 0.00000 -0.05490 0.00000
|
|
118 13D 0 -0.56507 -0.01757 0.00000 0.18477 0.00000
|
|
119 13D+1 0.00000 0.00000 1.21153 0.00000 -0.73707
|
|
120 13D-1 0.00000 0.00000 -0.35011 0.00000 0.29134
|
|
121 13D+2 0.55383 -0.20240 0.00000 -0.33040 0.00000
|
|
122 13D-2 -0.44980 -0.15534 0.00000 0.95553 0.00000
|
|
123 14D 0 1.08262 0.07701 0.00000 -0.24457 0.00000
|
|
124 14D+1 0.00000 0.00000 -3.65541 0.00000 2.16679
|
|
125 14D-1 0.00000 0.00000 0.86269 0.00000 -0.75631
|
|
126 14D+2 -1.38309 0.75931 0.00000 -0.13113 0.00000
|
|
127 14D-2 1.02444 0.18295 0.00000 -2.30129 0.00000
|
|
128 15D 0 0.54187 0.24619 0.00000 0.40364 0.00000
|
|
129 15D+1 0.00000 0.00000 -1.11370 0.00000 0.64006
|
|
130 15D-1 0.00000 0.00000 0.09184 0.00000 -0.07204
|
|
131 15D+2 -1.67273 0.13390 0.00000 1.99451 0.00000
|
|
132 15D-2 0.20682 0.86903 0.00000 -0.12904 0.00000
|
|
133 16F 0 0.00000 0.00000 -0.07412 0.00000 0.03727
|
|
134 16F+1 -0.03160 -0.01150 0.00000 0.00414 0.00000
|
|
135 16F-1 0.01203 0.00559 0.00000 -0.02142 0.00000
|
|
136 16F+2 0.00000 0.00000 0.04392 0.00000 -0.03300
|
|
137 16F-2 0.00000 0.00000 -0.04084 0.00000 0.02491
|
|
138 16F+3 0.02842 -0.03079 0.00000 0.03905 0.00000
|
|
139 16F-3 -0.03175 -0.01874 0.00000 0.04780 0.00000
|
|
140 17F 0 0.00000 0.00000 0.86651 0.00000 -0.44393
|
|
141 17F+1 0.30297 0.16439 0.00000 0.05847 0.00000
|
|
142 17F-1 0.01627 -0.15179 0.00000 0.16644 0.00000
|
|
143 17F+2 0.00000 0.00000 -0.55816 0.00000 0.42640
|
|
144 17F-2 0.00000 0.00000 0.53935 0.00000 -0.26527
|
|
145 17F+3 -0.33830 0.49214 0.00000 -0.51304 0.00000
|
|
146 17F-3 0.36463 0.28243 0.00000 -0.47920 0.00000
|
|
147 18F 0 0.00000 0.00000 1.02093 0.00000 -0.54574
|
|
148 18F+1 0.56947 0.00676 0.00000 -0.36500 0.00000
|
|
149 18F-1 0.00222 -0.00128 0.00000 0.57438 0.00000
|
|
150 18F+2 0.00000 0.00000 -0.89211 0.00000 0.45252
|
|
151 18F-2 0.00000 0.00000 0.84323 0.00000 -0.47409
|
|
152 18F+3 -0.24446 -0.05573 0.00000 -0.53596 0.00000
|
|
153 18F-3 0.38019 0.78539 0.00000 0.31137 0.00000
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|
154 19G 0 0.02001 -0.00490 0.00000 -0.00558 0.00000
|
|
155 19G+1 0.00000 0.00000 -0.01963 0.00000 0.01746
|
|
156 19G-1 0.00000 0.00000 -0.00492 0.00000 0.00027
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|
157 19G+2 0.00763 -0.01135 0.00000 -0.00110 0.00000
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|
158 19G-2 0.00014 -0.00130 0.00000 -0.00650 0.00000
|
|
159 19G+3 0.00000 0.00000 0.02129 0.00000 0.00948
|
|
160 19G-3 0.00000 0.00000 -0.02968 0.00000 0.01812
|
|
161 19G+4 -0.00019 0.01649 0.00000 0.04273 0.00000
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162 19G-4 -0.01231 -0.02417 0.00000 0.00854 0.00000
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163 20G 0 -0.41532 0.04980 0.00000 0.14692 0.00000
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164 20G+1 0.00000 0.00000 0.65065 0.00000 -0.46655
|
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165 20G-1 0.00000 0.00000 -0.14084 0.00000 0.15391
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166 20G+2 0.00213 0.04407 0.00000 -0.04072 0.00000
|
|
167 20G-2 -0.06613 -0.02383 0.00000 0.23806 0.00000
|
|
168 20G+3 0.00000 0.00000 -0.52310 0.00000 0.07223
|
|
169 20G-3 0.00000 0.00000 0.58798 0.00000 -0.38136
|
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170 20G+4 -0.25695 -0.25734 0.00000 -0.91891 0.00000
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|
171 20G-4 0.28676 0.42960 0.00000 -0.17737 0.00000
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172 21H 0 0.00000 0.00000 -0.03064 0.00000 0.01320
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|
173 21H+1 -0.00481 0.00587 0.00000 0.00468 0.00000
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|
174 21H-1 0.03919 -0.02133 0.00000 -0.03506 0.00000
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175 21H+2 0.00000 0.00000 0.01308 0.00000 -0.02383
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176 21H-2 0.00000 0.00000 -0.00520 0.00000 0.03614
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177 21H+3 0.02905 0.01166 0.00000 -0.00136 0.00000
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178 21H-3 0.00942 -0.01436 0.00000 0.00214 0.00000
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179 21H+4 0.00000 0.00000 -0.01627 0.00000 0.00501
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180 21H-4 0.00000 0.00000 0.03337 0.00000 0.02840
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181 21H+5 -0.02705 0.00671 0.00000 -0.00694 0.00000
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182 21H-5 0.02063 0.02553 0.00000 -0.00049 0.00000
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183 3 H 1S -0.03799 -0.04234 0.00000 -0.09569 0.00000
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184 2S -0.04943 0.47272 0.00000 0.63053 0.00000
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185 3S -8.76549 4.23405 0.00000 -8.68427 0.00000
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186 4S -4.87843 3.12529 0.00000 -5.23317 0.00000
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187 5S -0.25488 -0.05608 0.00000 -0.26246 0.00000
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188 6PX 0.04824 -0.00113 0.00000 0.00021 0.00000
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189 6PY -0.03584 -0.02908 0.00000 0.00000 0.00000
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190 6PZ 0.00000 0.00000 0.03260 0.00000 0.06958
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191 7PX -0.23854 -0.02896 0.00000 0.17621 0.00000
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192 7PY 0.24683 0.25349 0.00000 0.09924 0.00000
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193 7PZ 0.00000 0.00000 -0.16158 0.00000 -0.24741
|
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194 8PX -4.09539 2.82371 0.00000 -4.53929 0.00000
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195 8PY 0.81109 0.06484 0.00000 0.51067 0.00000
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196 8PZ 0.00000 0.00000 -1.80797 0.00000 -3.55246
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197 9PX -2.59297 1.70716 0.00000 -2.81309 0.00000
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198 9PY 0.42586 -0.56346 0.00000 0.60690 0.00000
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199 9PZ 0.00000 0.00000 -0.39682 0.00000 -1.15883
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200 10D 0 0.00472 -0.07216 0.00000 -0.04848 0.00000
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201 10D+1 0.00000 0.00000 0.09296 0.00000 0.15800
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202 10D-1 0.00000 0.00000 -0.05276 0.00000 -0.04393
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203 10D+2 0.02229 -0.01118 0.00000 0.00189 0.00000
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204 10D-2 -0.00014 -0.08383 0.00000 -0.04187 0.00000
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205 11D 0 0.28932 -0.00817 0.00000 0.53992 0.00000
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206 11D+1 0.00000 0.00000 -0.80890 0.00000 -1.44719
|
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207 11D-1 0.00000 0.00000 0.37207 0.00000 0.63319
|
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208 11D+2 -0.70582 0.58757 0.00000 -0.66125 0.00000
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209 11D-2 0.38456 0.25925 0.00000 0.20481 0.00000
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210 12D 0 0.33353 -0.60000 0.00000 0.62143 0.00000
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211 12D+1 0.00000 0.00000 -0.64782 0.00000 -1.54096
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212 12D-1 0.00000 0.00000 0.39776 0.00000 0.61991
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213 12D+2 -1.00394 0.90514 0.00000 -1.31726 0.00000
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214 12D-2 0.28228 -0.39310 0.00000 0.20307 0.00000
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215 13F 0 0.00000 0.00000 0.01683 0.00000 0.07769
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216 13F+1 0.02633 -0.02794 0.00000 -0.00491 0.00000
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217 13F-1 -0.01158 0.08828 0.00000 -0.00994 0.00000
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218 13F+2 0.00000 0.00000 -0.02882 0.00000 -0.06685
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219 13F-2 0.00000 0.00000 -0.01637 0.00000 0.06808
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220 13F+3 0.02015 -0.02500 0.00000 -0.07343 0.00000
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221 13F-3 0.03359 0.07802 0.00000 -0.01375 0.00000
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222 14F 0 0.00000 0.00000 0.20438 0.00000 0.38441
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223 14F+1 0.03652 -0.16632 0.00000 0.35163 0.00000
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224 14F-1 -0.02870 -0.00194 0.00000 0.02771 0.00000
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225 14F+2 0.00000 0.00000 -0.12521 0.00000 -0.30895
|
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226 14F-2 0.00000 0.00000 0.31116 0.00000 0.45691
|
|
227 14F+3 -0.39741 0.37039 0.00000 -0.33978 0.00000
|
|
228 14F-3 0.24630 -0.28897 0.00000 0.17417 0.00000
|
|
229 15G 0 -0.00775 -0.00006 0.00000 -0.03636 0.00000
|
|
230 15G+1 0.00000 0.00000 0.06335 0.00000 0.13688
|
|
231 15G-1 0.00000 0.00000 -0.01962 0.00000 -0.00416
|
|
232 15G+2 0.03585 0.04046 0.00000 0.00833 0.00000
|
|
233 15G-2 0.01210 0.04212 0.00000 -0.04239 0.00000
|
|
234 15G+3 0.00000 0.00000 -0.02094 0.00000 -0.04377
|
|
235 15G-3 0.00000 0.00000 0.02340 0.00000 0.11768
|
|
236 15G+4 -0.00251 0.03846 0.00000 -0.07118 0.00000
|
|
237 15G-4 0.04549 0.05989 0.00000 -0.00447 0.00000
|
|
238 4 H 1S 0.08423 0.02305 0.00000 -0.01361 0.00000
|
|
239 2S 1.21293 0.88133 0.00000 -0.45123 0.00000
|
|
240 3S 4.75038 -0.51119 0.00000 -1.91762 0.00000
|
|
241 4S 1.54983 -0.70340 0.00000 -0.45981 0.00000
|
|
242 5S 0.07178 -0.00644 0.00000 -0.10514 0.00000
|
|
243 6PX 0.17080 0.05540 0.00000 -0.06601 0.00000
|
|
244 6PY -0.06090 -0.03258 0.00000 -0.01963 0.00000
|
|
245 6PZ 0.00000 0.00000 -0.03234 0.00000 0.01640
|
|
246 7PX -1.27223 -0.51246 0.00000 0.48212 0.00000
|
|
247 7PY 0.43721 0.30256 0.00000 0.09782 0.00000
|
|
248 7PZ 0.00000 0.00000 0.04085 0.00000 -0.02313
|
|
249 8PX -0.62220 0.56550 0.00000 0.55204 0.00000
|
|
250 8PY 0.43585 -1.31672 0.00000 1.72221 0.00000
|
|
251 8PZ 0.00000 0.00000 4.31001 0.00000 -2.49110
|
|
252 9PX -0.70519 0.27377 0.00000 0.16419 0.00000
|
|
253 9PY 0.52398 -0.57534 0.00000 0.04617 0.00000
|
|
254 9PZ 0.00000 0.00000 0.80700 0.00000 -0.42191
|
|
255 10D 0 -0.04939 -0.02437 0.00000 0.03344 0.00000
|
|
256 10D+1 0.00000 0.00000 0.19669 0.00000 -0.11229
|
|
257 10D-1 0.00000 0.00000 -0.06741 0.00000 0.03296
|
|
258 10D+2 0.07960 -0.03417 0.00000 0.00124 0.00000
|
|
259 10D-2 -0.01306 -0.04753 0.00000 0.15376 0.00000
|
|
260 11D 0 -0.11166 0.19173 0.00000 0.04082 0.00000
|
|
261 11D+1 0.00000 0.00000 -2.17770 0.00000 1.28599
|
|
262 11D-1 0.00000 0.00000 0.71274 0.00000 -0.35725
|
|
263 11D+2 0.00510 0.26956 0.00000 -0.53688 0.00000
|
|
264 11D-2 -0.18346 0.33667 0.00000 -1.26493 0.00000
|
|
265 12D 0 0.22204 0.30051 0.00000 -0.16123 0.00000
|
|
266 12D+1 0.00000 0.00000 -1.90244 0.00000 1.12507
|
|
267 12D-1 0.00000 0.00000 0.61777 0.00000 -0.28148
|
|
268 12D+2 -0.41574 0.02018 0.00000 -0.10772 0.00000
|
|
269 12D-2 0.32230 0.68207 0.00000 -0.93229 0.00000
|
|
270 13F 0 0.00000 0.00000 -0.01670 0.00000 -0.01987
|
|
271 13F+1 0.11100 0.01857 0.00000 -0.05129 0.00000
|
|
272 13F-1 -0.02873 -0.04597 0.00000 -0.00848 0.00000
|
|
273 13F+2 0.00000 0.00000 -0.00207 0.00000 -0.01971
|
|
274 13F-2 0.00000 0.00000 -0.00247 0.00000 0.01577
|
|
275 13F+3 -0.11029 0.02778 0.00000 0.09835 0.00000
|
|
276 13F-3 0.12020 0.00557 0.00000 -0.10648 0.00000
|
|
277 14F 0 0.00000 0.00000 -0.87807 0.00000 0.53716
|
|
278 14F+1 -0.21587 -0.15814 0.00000 0.05457 0.00000
|
|
279 14F-1 0.05288 0.08587 0.00000 -0.24905 0.00000
|
|
280 14F+2 0.00000 0.00000 0.93073 0.00000 -0.60144
|
|
281 14F-2 0.00000 0.00000 -0.68661 0.00000 0.32081
|
|
282 14F+3 0.20211 -0.27762 0.00000 0.38704 0.00000
|
|
283 14F-3 -0.31031 -0.22474 0.00000 0.84681 0.00000
|
|
284 15G 0 0.00453 -0.02162 0.00000 -0.01209 0.00000
|
|
285 15G+1 0.00000 0.00000 0.14218 0.00000 -0.05836
|
|
286 15G-1 0.00000 0.00000 -0.04072 0.00000 0.02696
|
|
287 15G+2 -0.03344 -0.02359 0.00000 0.02868 0.00000
|
|
288 15G-2 0.02562 -0.02313 0.00000 0.01734 0.00000
|
|
289 15G+3 0.00000 0.00000 -0.06391 0.00000 0.06239
|
|
290 15G-3 0.00000 0.00000 0.10223 0.00000 -0.07073
|
|
291 15G+4 -0.00901 0.01680 0.00000 -0.09875 0.00000
|
|
292 15G-4 -0.03938 -0.00457 0.00000 -0.01164 0.00000
|
|
293 5 H 1S -0.06735 -0.02318 -0.01209 -0.06537 0.00714
|
|
294 2S 1.20707 0.14521 0.45339 0.57823 0.41833
|
|
295 3S -10.25598 -4.45429 -5.43443 -9.51820 -4.65683
|
|
296 4S -5.89472 -2.74377 -3.54065 -5.15557 -3.05458
|
|
297 5S -0.11401 -0.02904 0.07805 -0.27925 -0.12707
|
|
298 6PX 0.00650 0.03690 0.00308 -0.01709 -0.01268
|
|
299 6PY -0.00531 -0.01433 0.01379 -0.00653 0.04625
|
|
300 6PZ 0.02338 -0.01555 0.03879 -0.00769 0.04669
|
|
301 7PX -0.14983 -0.32616 -0.10297 0.02639 -0.10406
|
|
302 7PY 0.03781 0.10064 -0.08393 -0.10057 -0.31326
|
|
303 7PZ -0.37426 0.03650 -0.39829 -0.07681 -0.38628
|
|
304 8PX 2.05548 -0.06890 2.09043 2.88031 2.94317
|
|
305 8PY 2.40139 0.90082 1.36442 1.35929 0.53843
|
|
306 8PZ 3.95581 2.51647 2.15163 3.92387 1.68091
|
|
307 9PX 1.48478 0.42998 0.90985 1.41208 1.30400
|
|
308 9PY 0.90245 0.61450 0.97925 1.17927 0.47491
|
|
309 9PZ 2.42996 1.31245 1.45528 2.29874 1.11480
|
|
310 10D 0 0.01472 0.05775 -0.03634 0.00832 -0.03089
|
|
311 10D+1 0.03355 -0.04003 0.02955 0.05088 0.04583
|
|
312 10D-1 0.08520 0.02390 -0.00670 -0.00721 -0.06747
|
|
313 10D+2 -0.02819 -0.02158 0.00763 0.04099 0.06695
|
|
314 10D-2 0.02919 -0.01919 0.02808 0.01401 0.01723
|
|
315 11D 0 -0.23130 -0.61641 0.16384 -0.41988 0.19791
|
|
316 11D+1 -0.38952 0.19327 -0.44687 -0.80162 -0.67205
|
|
317 11D-1 -0.75024 -0.47639 -0.14367 -0.24113 0.36179
|
|
318 11D+2 0.18161 0.18967 -0.08457 -0.38427 -0.35841
|
|
319 11D-2 -0.33836 0.21321 -0.32359 -0.29762 -0.29214
|
|
320 12D 0 -0.66119 -0.62258 -0.25332 -0.56631 -0.03983
|
|
321 12D+1 -0.66131 -0.19895 -0.77007 -1.02895 -1.05670
|
|
322 12D-1 -0.63633 -0.63015 -0.54035 -0.56208 -0.14993
|
|
323 12D+2 -0.22959 -0.04634 -0.13457 -0.21280 -0.43509
|
|
324 12D-2 -0.40994 0.15367 -0.48389 -0.42698 -0.56476
|
|
325 13F 0 0.01101 0.01545 0.00087 -0.01802 -0.01565
|
|
326 13F+1 0.02489 -0.01509 -0.03042 0.02167 0.01002
|
|
327 13F-1 0.01083 0.02997 0.00200 0.00475 -0.01523
|
|
328 13F+2 0.02085 -0.03428 0.02204 -0.01515 0.06031
|
|
329 13F-2 0.01862 -0.00982 0.02645 0.01108 0.04226
|
|
330 13F+3 0.00167 -0.03147 0.03464 -0.03512 0.03477
|
|
331 13F-3 0.04347 -0.05958 -0.02102 -0.00068 -0.02332
|
|
332 14F 0 0.03550 0.10759 -0.10135 0.06029 -0.07626
|
|
333 14F+1 0.04866 0.06016 0.17963 0.30456 0.18467
|
|
334 14F-1 0.23468 0.39822 0.03152 0.17198 -0.18415
|
|
335 14F+2 -0.01829 -0.00889 0.05554 0.19504 0.18134
|
|
336 14F-2 0.15035 -0.03635 0.20069 0.22658 0.19784
|
|
337 14F+3 -0.01056 0.16169 -0.08520 0.03686 -0.06855
|
|
338 14F-3 0.08316 -0.00602 0.12627 0.15286 0.14021
|
|
339 15G 0 0.02126 -0.02189 -0.00952 0.02483 0.00308
|
|
340 15G+1 -0.03573 -0.00071 0.03717 -0.02196 0.01526
|
|
341 15G-1 -0.02889 -0.04344 0.01889 -0.01422 0.03876
|
|
342 15G+2 0.00598 0.01201 -0.03016 -0.02545 -0.09356
|
|
343 15G-2 -0.03944 -0.00348 -0.04114 -0.02795 -0.04169
|
|
344 15G+3 0.00845 0.01354 -0.01302 0.02012 -0.02643
|
|
345 15G-3 -0.02073 0.04065 -0.00977 -0.03288 -0.03509
|
|
346 15G+4 0.00766 -0.01573 -0.03335 0.02117 -0.01104
|
|
347 15G-4 -0.00544 0.02718 0.00508 0.00149 -0.01578
|
|
348 6 H 1S -0.06735 -0.02318 0.01209 -0.06537 -0.00714
|
|
349 2S 1.20707 0.14521 -0.45339 0.57823 -0.41833
|
|
350 3S -10.25598 -4.45429 5.43443 -9.51820 4.65683
|
|
351 4S -5.89472 -2.74377 3.54065 -5.15557 3.05458
|
|
352 5S -0.11401 -0.02904 -0.07805 -0.27925 0.12707
|
|
353 6PX 0.00650 0.03690 -0.00308 -0.01709 0.01268
|
|
354 6PY -0.00531 -0.01433 -0.01379 -0.00653 -0.04625
|
|
355 6PZ -0.02338 0.01555 0.03879 0.00769 0.04669
|
|
356 7PX -0.14983 -0.32616 0.10297 0.02639 0.10406
|
|
357 7PY 0.03781 0.10064 0.08393 -0.10057 0.31326
|
|
358 7PZ 0.37426 -0.03650 -0.39829 0.07681 -0.38628
|
|
359 8PX 2.05548 -0.06890 -2.09043 2.88031 -2.94317
|
|
360 8PY 2.40139 0.90082 -1.36442 1.35929 -0.53843
|
|
361 8PZ -3.95581 -2.51647 2.15163 -3.92387 1.68091
|
|
362 9PX 1.48478 0.42998 -0.90985 1.41208 -1.30400
|
|
363 9PY 0.90245 0.61450 -0.97925 1.17927 -0.47491
|
|
364 9PZ -2.42996 -1.31245 1.45528 -2.29874 1.11480
|
|
365 10D 0 0.01472 0.05775 0.03634 0.00832 0.03089
|
|
366 10D+1 -0.03355 0.04003 0.02955 -0.05088 0.04583
|
|
367 10D-1 -0.08520 -0.02390 -0.00670 0.00721 -0.06747
|
|
368 10D+2 -0.02819 -0.02158 -0.00763 0.04099 -0.06695
|
|
369 10D-2 0.02919 -0.01919 -0.02808 0.01401 -0.01723
|
|
370 11D 0 -0.23130 -0.61641 -0.16384 -0.41988 -0.19791
|
|
371 11D+1 0.38952 -0.19327 -0.44687 0.80162 -0.67205
|
|
372 11D-1 0.75024 0.47639 -0.14367 0.24113 0.36179
|
|
373 11D+2 0.18161 0.18967 0.08457 -0.38427 0.35841
|
|
374 11D-2 -0.33836 0.21321 0.32359 -0.29762 0.29214
|
|
375 12D 0 -0.66119 -0.62258 0.25332 -0.56631 0.03983
|
|
376 12D+1 0.66131 0.19895 -0.77007 1.02895 -1.05670
|
|
377 12D-1 0.63633 0.63015 -0.54035 0.56208 -0.14993
|
|
378 12D+2 -0.22959 -0.04634 0.13457 -0.21280 0.43509
|
|
379 12D-2 -0.40994 0.15367 0.48389 -0.42698 0.56476
|
|
380 13F 0 -0.01101 -0.01545 0.00087 0.01802 -0.01565
|
|
381 13F+1 0.02489 -0.01509 0.03042 0.02167 -0.01002
|
|
382 13F-1 0.01083 0.02997 -0.00200 0.00475 0.01523
|
|
383 13F+2 -0.02085 0.03428 0.02204 0.01515 0.06031
|
|
384 13F-2 -0.01862 0.00982 0.02645 -0.01108 0.04226
|
|
385 13F+3 0.00167 -0.03147 -0.03464 -0.03512 -0.03477
|
|
386 13F-3 0.04347 -0.05958 0.02102 -0.00068 0.02332
|
|
387 14F 0 -0.03550 -0.10759 -0.10135 -0.06029 -0.07626
|
|
388 14F+1 0.04866 0.06016 -0.17963 0.30456 -0.18467
|
|
389 14F-1 0.23468 0.39822 -0.03152 0.17198 0.18415
|
|
390 14F+2 0.01829 0.00889 0.05554 -0.19504 0.18134
|
|
391 14F-2 -0.15035 0.03635 0.20069 -0.22658 0.19784
|
|
392 14F+3 -0.01056 0.16169 0.08520 0.03686 0.06855
|
|
393 14F-3 0.08316 -0.00602 -0.12627 0.15286 -0.14021
|
|
394 15G 0 0.02126 -0.02189 0.00952 0.02483 -0.00308
|
|
395 15G+1 0.03573 0.00071 0.03717 0.02196 0.01526
|
|
396 15G-1 0.02889 0.04344 0.01889 0.01422 0.03876
|
|
397 15G+2 0.00598 0.01201 0.03016 -0.02545 0.09356
|
|
398 15G-2 -0.03944 -0.00348 0.04114 -0.02795 0.04169
|
|
399 15G+3 -0.00845 -0.01354 -0.01302 -0.02012 -0.02643
|
|
400 15G-3 0.02073 -0.04065 -0.00977 0.03288 -0.03509
|
|
401 15G+4 0.00766 -0.01573 0.03335 0.02117 0.01104
|
|
402 15G-4 -0.00544 0.02718 -0.00508 0.00149 0.01578
|
|
236 237 238 239 240
|
|
V V V V V
|
|
Eigenvalues -- 9.93302 10.09487 10.25171 10.32401 10.32886
|
|
1 1 C 1S 0.00590 -0.00235 0.01802 0.00000 0.00710
|
|
2 2S -0.31501 0.16381 -0.49348 0.00000 -0.29379
|
|
3 3S -1.66991 0.97668 -2.32646 0.00000 -1.43586
|
|
4 4S 2.66162 -2.74726 1.47432 0.00000 0.62005
|
|
5 5S 8.43240 -0.35226 17.45443 0.00000 12.91638
|
|
6 6S 2.38771 -0.68129 3.55317 0.00000 2.85572
|
|
7 7PX 0.13546 0.18063 0.28660 0.00000 -0.29747
|
|
8 7PY 0.18787 -0.17069 -0.39688 0.00000 -0.34517
|
|
9 7PZ 0.00000 0.00000 0.00000 -0.24778 0.00000
|
|
10 8PX -1.03392 -1.31954 -0.28334 0.00000 0.47238
|
|
11 8PY -1.35954 0.95437 1.16956 0.00000 0.81623
|
|
12 8PZ 0.00000 0.00000 0.00000 0.04695 0.00000
|
|
13 9PX 8.47809 10.48299 -6.86635 0.00000 5.06686
|
|
14 9PY 8.38330 -5.29543 -0.59772 0.00000 1.20918
|
|
15 9PZ 0.00000 0.00000 0.00000 8.88233 0.00000
|
|
16 10PX 3.16111 3.38593 -3.50790 0.00000 2.77141
|
|
17 10PY 1.35757 -1.85475 -0.16535 0.00000 -0.21588
|
|
18 10PZ 0.00000 0.00000 0.00000 4.26257 0.00000
|
|
19 11PX 0.29866 0.33198 0.13351 0.00000 0.13841
|
|
20 11PY 0.13134 -0.11866 0.09898 0.00000 0.04733
|
|
21 11PZ 0.00000 0.00000 0.00000 0.08950 0.00000
|
|
22 12D 0 -0.17418 -0.09520 -0.09587 0.00000 0.07151
|
|
23 12D+1 0.00000 0.00000 0.00000 0.08002 0.00000
|
|
24 12D-1 0.00000 0.00000 0.00000 -0.04558 0.00000
|
|
25 12D+2 -0.03690 0.14188 0.00567 0.00000 -0.07182
|
|
26 12D-2 0.01028 0.05436 0.05443 0.00000 -0.03091
|
|
27 13D 0 0.57423 0.25577 -0.01131 0.00000 0.28745
|
|
28 13D+1 0.00000 0.00000 0.00000 0.26366 0.00000
|
|
29 13D-1 0.00000 0.00000 0.00000 0.57621 0.00000
|
|
30 13D+2 0.11658 -0.49134 0.44772 0.00000 0.10859
|
|
31 13D-2 0.15282 0.05840 -0.44373 0.00000 0.39488
|
|
32 14D 0 -1.95135 -0.38518 -3.86533 0.00000 3.27184
|
|
33 14D+1 0.00000 0.00000 0.00000 4.56088 0.00000
|
|
34 14D-1 0.00000 0.00000 0.00000 0.46460 0.00000
|
|
35 14D+2 -1.36038 1.12009 2.29798 0.00000 -2.05992
|
|
36 14D-2 2.56779 3.37438 0.56725 0.00000 -0.21698
|
|
37 15D 0 0.10789 0.12431 -0.82729 0.00000 0.28565
|
|
38 15D+1 0.00000 0.00000 0.00000 0.65722 0.00000
|
|
39 15D-1 0.00000 0.00000 0.00000 1.11291 0.00000
|
|
40 15D+2 -0.46972 -0.29152 0.48531 0.00000 -0.45183
|
|
41 15D-2 0.37093 1.22041 -0.34161 0.00000 0.59868
|
|
42 16F 0 0.00000 0.00000 0.00000 -0.28164 0.00000
|
|
43 16F+1 -0.16309 0.10421 -0.37359 0.00000 -0.45842
|
|
44 16F-1 -0.01819 -0.08330 0.28798 0.00000 -0.35554
|
|
45 16F+2 0.00000 0.00000 0.00000 -0.42069 0.00000
|
|
46 16F-2 0.00000 0.00000 0.00000 -0.52816 0.00000
|
|
47 16F+3 0.00634 -0.11587 0.56530 0.00000 -0.19295
|
|
48 16F-3 0.12657 -0.10587 -0.13155 0.00000 0.36299
|
|
49 17F 0 0.00000 0.00000 0.00000 0.70368 0.00000
|
|
50 17F+1 0.22910 0.03073 1.05328 0.00000 1.06862
|
|
51 17F-1 0.22964 -0.28846 -0.02729 0.00000 1.04281
|
|
52 17F+2 0.00000 0.00000 0.00000 1.05203 0.00000
|
|
53 17F-2 0.00000 0.00000 0.00000 0.87135 0.00000
|
|
54 17F+3 -0.09822 0.36022 -1.50866 0.00000 0.34872
|
|
55 17F-3 0.55435 0.03405 0.73759 0.00000 -0.17765
|
|
56 18F 0 0.00000 0.00000 0.00000 0.10118 0.00000
|
|
57 18F+1 -0.05995 0.63972 0.71820 0.00000 0.60947
|
|
58 18F-1 0.22515 -0.16089 0.18201 0.00000 0.87082
|
|
59 18F+2 0.00000 0.00000 0.00000 0.56833 0.00000
|
|
60 18F-2 0.00000 0.00000 0.00000 0.41372 0.00000
|
|
61 18F+3 0.03722 0.27419 -0.61837 0.00000 -0.16791
|
|
62 18F-3 0.43494 0.05895 1.01790 0.00000 0.31011
|
|
63 19G 0 0.15838 -0.20385 0.11783 0.00000 -0.54229
|
|
64 19G+1 0.00000 0.00000 0.00000 0.12853 0.00000
|
|
65 19G-1 0.00000 0.00000 0.00000 -0.02786 0.00000
|
|
66 19G+2 0.09289 -0.05050 -0.21111 0.00000 -0.05395
|
|
67 19G-2 -0.10438 -0.09624 -0.08432 0.00000 -0.06070
|
|
68 19G+3 0.00000 0.00000 0.00000 -0.55143 0.00000
|
|
69 19G-3 0.00000 0.00000 0.00000 -0.27776 0.00000
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323 12D+2 0.03709 0.57707 0.15137 0.03508 -0.05414
|
|
324 12D-2 0.41331 0.16590 0.21269 -0.50009 -0.56513
|
|
325 13F 0 0.08771 0.02405 0.01636 0.00625 -0.08507
|
|
326 13F+1 0.01490 -0.01115 0.00431 -0.08135 -0.04806
|
|
327 13F-1 0.00177 -0.00732 0.07429 0.10090 -0.03977
|
|
328 13F+2 0.02892 -0.03309 -0.06672 -0.06189 0.00870
|
|
329 13F-2 0.00331 0.02130 -0.01295 -0.00767 0.09852
|
|
330 13F+3 0.05592 -0.00864 0.00403 0.01617 -0.04703
|
|
331 13F-3 -0.03198 0.01359 -0.04630 -0.02375 0.05644
|
|
332 14F 0 0.30741 0.25645 0.12369 -0.04923 0.00993
|
|
333 14F+1 0.42273 -0.18385 0.17165 -0.03093 0.18165
|
|
334 14F-1 0.19236 0.31155 -0.08091 0.28103 0.10590
|
|
335 14F+2 -0.02548 -0.30236 0.04222 -0.05413 0.02908
|
|
336 14F-2 -0.20650 -0.09682 -0.03840 0.21993 0.12207
|
|
337 14F+3 0.07425 -0.01224 -0.03044 -0.05115 -0.05597
|
|
338 14F-3 -0.24297 -0.09976 -0.05545 0.15690 0.06496
|
|
339 15G 0 -0.08277 -0.04572 -0.01674 -0.01974 0.04751
|
|
340 15G+1 -0.09027 -0.00619 -0.04303 0.06227 0.06587
|
|
341 15G-1 -0.05531 -0.02906 -0.04657 -0.05822 0.06350
|
|
342 15G+2 -0.02779 0.09400 0.04709 0.08210 -0.01153
|
|
343 15G-2 -0.00786 0.00158 -0.00288 -0.03562 -0.04179
|
|
344 15G+3 -0.04234 0.01222 0.00124 0.03542 0.03031
|
|
345 15G-3 0.02348 0.00846 0.04636 0.03853 -0.05906
|
|
346 15G+4 -0.08255 -0.00299 0.00065 -0.01358 0.02311
|
|
347 15G-4 0.00424 0.02371 0.01030 0.00753 -0.00082
|
|
348 6 H 1S -0.00606 0.00199 -0.02680 0.01358 -0.03277
|
|
349 2S 0.54547 0.07377 -0.26666 -1.14212 0.77600
|
|
350 3S -5.62504 -2.02785 -0.61486 7.61836 -6.43042
|
|
351 4S -3.79920 -0.62613 -0.69578 4.43581 -3.79213
|
|
352 5S -0.12512 0.00716 -0.28032 -0.13482 -0.11066
|
|
353 6PX 0.04178 0.02487 0.00519 -0.05450 -0.01622
|
|
354 6PY 0.06184 -0.00509 -0.00765 -0.00049 -0.00350
|
|
355 6PZ -0.00345 -0.00025 0.04444 0.05058 -0.03907
|
|
356 7PX -0.27792 -0.03448 0.08854 0.40990 -0.03600
|
|
357 7PY -0.38857 0.00111 0.04888 0.14138 -0.09046
|
|
358 7PZ 0.25020 0.10289 -0.30003 -0.56422 0.36572
|
|
359 8PX 0.17319 -1.91778 -0.70109 -1.05190 2.29370
|
|
360 8PY -0.55804 1.39356 -0.41701 -3.11934 1.81341
|
|
361 8PZ -4.44110 -1.43080 -0.52265 3.41111 -2.13687
|
|
362 9PX 0.47599 -0.72315 -0.08228 -1.06743 0.92574
|
|
363 9PY 0.35836 0.30742 0.06288 -1.03872 0.86610
|
|
364 9PZ -2.17035 -0.62417 -0.41727 1.92982 -1.71293
|
|
365 10D 0 0.11414 0.04191 0.05779 0.00852 -0.01805
|
|
366 10D+1 0.00987 0.06993 0.00788 -0.01396 -0.03550
|
|
367 10D-1 0.04969 -0.04568 0.04043 0.00755 0.00073
|
|
368 10D+2 -0.00088 -0.03983 0.01895 0.05778 0.01776
|
|
369 10D-2 -0.08365 -0.02865 -0.00856 -0.02583 -0.02049
|
|
370 11D 0 -1.21446 -0.41098 -0.41037 0.11212 0.10740
|
|
371 11D+1 0.20440 -0.61210 0.05568 0.08428 0.45126
|
|
372 11D-1 -0.20417 0.52761 -0.10605 -0.77600 0.27516
|
|
373 11D+2 -0.00866 0.52114 0.03854 -0.29299 -0.10890
|
|
374 11D-2 0.66522 0.19342 0.19202 0.32155 -0.37427
|
|
375 12D 0 -1.51254 -0.70778 -0.29729 0.50532 -0.22489
|
|
376 12D+1 0.59320 -0.71150 -0.11739 -0.45544 0.70456
|
|
377 12D-1 0.29812 0.56280 -0.10367 -1.22639 0.55309
|
|
378 12D+2 0.03709 0.57707 0.15137 -0.03508 -0.05414
|
|
379 12D-2 0.41331 0.16590 0.21269 0.50009 -0.56513
|
|
380 13F 0 -0.08771 -0.02405 -0.01636 0.00625 0.08507
|
|
381 13F+1 0.01490 -0.01115 0.00431 0.08135 -0.04806
|
|
382 13F-1 0.00177 -0.00732 0.07429 -0.10090 -0.03977
|
|
383 13F+2 -0.02892 0.03309 0.06672 -0.06189 -0.00870
|
|
384 13F-2 -0.00331 -0.02130 0.01295 -0.00767 -0.09852
|
|
385 13F+3 0.05592 -0.00864 0.00403 -0.01617 -0.04703
|
|
386 13F-3 -0.03198 0.01359 -0.04630 0.02375 0.05644
|
|
387 14F 0 -0.30741 -0.25645 -0.12369 -0.04923 -0.00993
|
|
388 14F+1 0.42273 -0.18385 0.17165 0.03093 0.18165
|
|
389 14F-1 0.19236 0.31155 -0.08091 -0.28103 0.10590
|
|
390 14F+2 0.02548 0.30236 -0.04222 -0.05413 -0.02908
|
|
391 14F-2 0.20650 0.09682 0.03840 0.21993 -0.12207
|
|
392 14F+3 0.07425 -0.01224 -0.03044 0.05115 -0.05597
|
|
393 14F-3 -0.24297 -0.09976 -0.05545 -0.15690 0.06496
|
|
394 15G 0 -0.08277 -0.04572 -0.01674 0.01974 0.04751
|
|
395 15G+1 0.09027 0.00619 0.04303 0.06227 -0.06587
|
|
396 15G-1 0.05531 0.02906 0.04657 -0.05822 -0.06350
|
|
397 15G+2 -0.02779 0.09400 0.04709 -0.08210 -0.01153
|
|
398 15G-2 -0.00786 0.00158 -0.00288 0.03562 -0.04179
|
|
399 15G+3 0.04234 -0.01222 -0.00124 0.03542 -0.03031
|
|
400 15G-3 -0.02348 -0.00846 -0.04636 0.03853 0.05906
|
|
401 15G+4 -0.08255 -0.00299 0.00065 0.01358 0.02311
|
|
402 15G-4 0.00424 0.02371 0.01030 -0.00753 -0.00082
|
|
241 242 243 244 245
|
|
V V V V V
|
|
Eigenvalues -- 10.43035 10.46305 10.48319 10.53119 10.57324
|
|
1 1 C 1S 0.00000 -0.00248 0.00000 0.00701 0.00000
|
|
2 2S 0.00000 0.07846 0.00000 -0.17087 0.00000
|
|
3 3S 0.00000 0.47922 0.00000 -1.04014 0.00000
|
|
4 4S 0.00000 -1.01731 0.00000 1.72600 0.00000
|
|
5 5S 0.00000 -1.43704 0.00000 4.67137 0.00000
|
|
6 6S 0.00000 -0.15270 0.00000 0.32893 0.00000
|
|
7 7PX 0.00000 -0.32615 0.00000 -0.04088 0.00000
|
|
8 7PY 0.00000 0.18397 0.00000 -0.51053 0.00000
|
|
9 7PZ -0.33115 0.00000 0.06049 0.00000 0.39573
|
|
10 8PX 0.00000 0.51411 0.00000 -0.34055 0.00000
|
|
11 8PY 0.00000 -0.49629 0.00000 1.49843 0.00000
|
|
12 8PZ 0.49623 0.00000 -0.11339 0.00000 -0.84173
|
|
13 9PX 0.00000 2.51774 0.00000 4.44918 0.00000
|
|
14 9PY 0.00000 -0.10368 0.00000 -1.46230 0.00000
|
|
15 9PZ 3.23386 0.00000 0.15696 0.00000 -4.02623
|
|
16 10PX 0.00000 1.21038 0.00000 1.80914 0.00000
|
|
17 10PY 0.00000 -0.98426 0.00000 -0.79950 0.00000
|
|
18 10PZ 1.62791 0.00000 -0.09056 0.00000 -1.64885
|
|
19 11PX 0.00000 0.33088 0.00000 0.10498 0.00000
|
|
20 11PY 0.00000 -0.04160 0.00000 -0.04446 0.00000
|
|
21 11PZ 0.23084 0.00000 -0.02658 0.00000 0.01284
|
|
22 12D 0 0.00000 -0.08109 0.00000 0.07541 0.00000
|
|
23 12D+1 -0.04589 0.00000 0.01666 0.00000 -0.16073
|
|
24 12D-1 0.17463 0.00000 -0.05686 0.00000 0.07412
|
|
25 12D+2 0.00000 -0.08252 0.00000 0.21826 0.00000
|
|
26 12D-2 0.00000 0.15514 0.00000 0.08370 0.00000
|
|
27 13D 0 0.00000 0.09551 0.00000 0.11363 0.00000
|
|
28 13D+1 0.16768 0.00000 0.01159 0.00000 -0.12703
|
|
29 13D-1 -0.25838 0.00000 0.15250 0.00000 -0.45404
|
|
30 13D+2 0.00000 0.00441 0.00000 -0.14522 0.00000
|
|
31 13D-2 0.00000 -0.35266 0.00000 -0.07389 0.00000
|
|
32 14D 0 0.00000 -1.27745 0.00000 1.73363 0.00000
|
|
33 14D+1 -0.54162 0.00000 0.51583 0.00000 -4.88159
|
|
34 14D-1 5.06019 0.00000 -1.34291 0.00000 0.48242
|
|
35 14D+2 0.00000 -2.11818 0.00000 3.06538 0.00000
|
|
36 14D-2 0.00000 5.18090 0.00000 3.16701 0.00000
|
|
37 15D 0 0.00000 -0.24991 0.00000 0.43066 0.00000
|
|
38 15D+1 -0.07106 0.00000 0.00586 0.00000 -1.37304
|
|
39 15D-1 1.40888 0.00000 -0.31119 0.00000 0.82513
|
|
40 15D+2 0.00000 -0.59313 0.00000 0.08501 0.00000
|
|
41 15D-2 0.00000 1.36518 0.00000 0.98375 0.00000
|
|
42 16F 0 0.13112 0.00000 -0.65290 0.00000 0.10558
|
|
43 16F+1 0.00000 0.43388 0.00000 -0.51333 0.00000
|
|
44 16F-1 0.00000 -0.38603 0.00000 0.09526 0.00000
|
|
45 16F+2 0.53561 0.00000 0.26937 0.00000 0.07421
|
|
46 16F-2 -0.37665 0.00000 0.06425 0.00000 0.67354
|
|
47 16F+3 0.00000 0.37139 0.00000 0.17772 0.00000
|
|
48 16F-3 0.00000 0.14243 0.00000 0.41777 0.00000
|
|
49 17F 0 -0.36145 0.00000 1.50427 0.00000 -0.12759
|
|
50 17F+1 0.00000 -1.07451 0.00000 1.39793 0.00000
|
|
51 17F-1 0.00000 1.05053 0.00000 -0.06808 0.00000
|
|
52 17F+2 -1.25373 0.00000 -0.57026 0.00000 0.00697
|
|
53 17F-2 1.01225 0.00000 -0.27139 0.00000 -1.61130
|
|
54 17F+3 0.00000 -0.88326 0.00000 -0.41220 0.00000
|
|
55 17F-3 0.00000 -0.61482 0.00000 -0.93256 0.00000
|
|
56 18F 0 -0.20452 0.00000 1.51868 0.00000 0.17000
|
|
57 18F+1 0.00000 -0.54677 0.00000 0.79188 0.00000
|
|
58 18F-1 0.00000 0.74347 0.00000 0.13178 0.00000
|
|
59 18F+2 -1.01813 0.00000 -0.83334 0.00000 0.29216
|
|
60 18F-2 0.65889 0.00000 -0.37209 0.00000 -0.65779
|
|
61 18F+3 0.00000 -0.58929 0.00000 -0.19535 0.00000
|
|
62 18F-3 0.00000 -0.58104 0.00000 -0.66302 0.00000
|
|
63 19G 0 0.00000 -0.38810 0.00000 -0.17483 0.00000
|
|
64 19G+1 0.83964 0.00000 -0.17969 0.00000 -0.10062
|
|
65 19G-1 -0.25051 0.00000 -0.60623 0.00000 -0.41657
|
|
66 19G+2 0.00000 0.68078 0.00000 0.12042 0.00000
|
|
67 19G-2 0.00000 -0.12169 0.00000 0.44432 0.00000
|
|
68 19G+3 -0.15222 0.00000 -0.12109 0.00000 -0.70466
|
|
69 19G-3 0.00874 0.00000 0.69728 0.00000 -0.46031
|
|
70 19G+4 0.00000 -0.12158 0.00000 -0.15103 0.00000
|
|
71 19G-4 0.00000 -0.09497 0.00000 -0.30125 0.00000
|
|
72 20G 0 0.00000 -0.30953 0.00000 0.09648 0.00000
|
|
73 20G+1 -1.38162 0.00000 0.31758 0.00000 0.42739
|
|
74 20G-1 0.60596 0.00000 1.36267 0.00000 0.51769
|
|
75 20G+2 0.00000 -1.57481 0.00000 0.55352 0.00000
|
|
76 20G-2 0.00000 0.22750 0.00000 -0.65472 0.00000
|
|
77 20G+3 -0.65652 0.00000 0.62858 0.00000 0.83991
|
|
78 20G-3 -0.17126 0.00000 -1.50659 0.00000 0.51769
|
|
79 20G+4 0.00000 0.50422 0.00000 0.98445 0.00000
|
|
80 20G-4 0.00000 0.37961 0.00000 0.88383 0.00000
|
|
81 21H 0 -0.13760 0.00000 -0.18226 0.00000 -0.05523
|
|
82 21H+1 0.00000 -0.49615 0.00000 0.00677 0.00000
|
|
83 21H-1 0.00000 0.03130 0.00000 -0.16903 0.00000
|
|
84 21H+2 -0.68849 0.00000 0.09547 0.00000 -0.19852
|
|
85 21H-2 0.07198 0.00000 -0.10881 0.00000 0.44009
|
|
86 21H+3 0.00000 -0.39548 0.00000 0.54349 0.00000
|
|
87 21H-3 0.00000 0.17231 0.00000 0.16498 0.00000
|
|
88 21H+4 -0.16818 0.00000 0.49824 0.00000 -0.04614
|
|
89 21H-4 0.07228 0.00000 0.10023 0.00000 -0.10289
|
|
90 21H+5 0.00000 -0.46921 0.00000 -0.48924 0.00000
|
|
91 21H-5 0.00000 -0.28704 0.00000 -0.28662 0.00000
|
|
92 2 O 1S 0.00000 -0.00480 0.00000 0.02072 0.00000
|
|
93 2S 0.00000 0.01805 0.00000 -0.19933 0.00000
|
|
94 3S 0.00000 0.01665 0.00000 -0.64327 0.00000
|
|
95 4S 0.00000 0.20572 0.00000 0.57800 0.00000
|
|
96 5S 0.00000 -0.22341 0.00000 1.43947 0.00000
|
|
97 6S 0.00000 -1.18638 0.00000 -1.60468 0.00000
|
|
98 7PX 0.00000 0.01262 0.00000 0.02945 0.00000
|
|
99 7PY 0.00000 0.02082 0.00000 -0.02896 0.00000
|
|
100 7PZ 0.01444 0.00000 -0.00563 0.00000 -0.00159
|
|
101 8PX 0.00000 0.00566 0.00000 0.12544 0.00000
|
|
102 8PY 0.00000 0.00968 0.00000 0.24433 0.00000
|
|
103 8PZ -0.02261 0.00000 -0.00070 0.00000 0.06098
|
|
104 9PX 0.00000 -0.33984 0.00000 0.06072 0.00000
|
|
105 9PY 0.00000 0.28851 0.00000 -1.60350 0.00000
|
|
106 9PZ -0.06342 0.00000 0.08753 0.00000 -0.41381
|
|
107 10PX 0.00000 2.21695 0.00000 -0.91234 0.00000
|
|
108 10PY 0.00000 -1.64954 0.00000 -1.12409 0.00000
|
|
109 10PZ 1.11089 0.00000 -0.48810 0.00000 1.28588
|
|
110 11PX 0.00000 0.04287 0.00000 -0.24747 0.00000
|
|
111 11PY 0.00000 -0.26044 0.00000 -0.05942 0.00000
|
|
112 11PZ 0.06574 0.00000 -0.07791 0.00000 0.09213
|
|
113 12D 0 0.00000 -0.00162 0.00000 -0.00580 0.00000
|
|
114 12D+1 0.00016 0.00000 0.00457 0.00000 0.00301
|
|
115 12D-1 0.00739 0.00000 -0.00510 0.00000 0.00918
|
|
116 12D+2 0.00000 0.01667 0.00000 -0.04486 0.00000
|
|
117 12D-2 0.00000 0.01268 0.00000 -0.02602 0.00000
|
|
118 13D 0 0.00000 0.04840 0.00000 0.13689 0.00000
|
|
119 13D+1 -0.01482 0.00000 -0.08719 0.00000 -0.08836
|
|
120 13D-1 -0.04658 0.00000 0.03473 0.00000 -0.23299
|
|
121 13D+2 0.00000 -0.30027 0.00000 0.87520 0.00000
|
|
122 13D-2 0.00000 -0.11817 0.00000 0.45080 0.00000
|
|
123 14D 0 0.00000 -0.09742 0.00000 -0.29422 0.00000
|
|
124 14D+1 0.11598 0.00000 0.21284 0.00000 0.19639
|
|
125 14D-1 0.03900 0.00000 -0.12641 0.00000 0.13887
|
|
126 14D+2 0.00000 0.56946 0.00000 -1.88096 0.00000
|
|
127 14D-2 0.00000 0.30806 0.00000 -1.96826 0.00000
|
|
128 15D 0 0.00000 0.18125 0.00000 0.10619 0.00000
|
|
129 15D+1 0.28989 0.00000 -0.29814 0.00000 0.18331
|
|
130 15D-1 0.50127 0.00000 -0.08878 0.00000 0.77136
|
|
131 15D+2 0.00000 1.06919 0.00000 -1.30555 0.00000
|
|
132 15D-2 0.00000 0.80755 0.00000 -0.62118 0.00000
|
|
133 16F 0 0.00592 0.00000 -0.00020 0.00000 -0.01113
|
|
134 16F+1 0.00000 0.00140 0.00000 -0.00812 0.00000
|
|
135 16F-1 0.00000 0.00191 0.00000 -0.01436 0.00000
|
|
136 16F+2 0.00186 0.00000 -0.00710 0.00000 -0.01747
|
|
137 16F-2 0.00424 0.00000 0.00146 0.00000 -0.00416
|
|
138 16F+3 0.00000 0.00120 0.00000 0.03454 0.00000
|
|
139 16F-3 0.00000 -0.00371 0.00000 0.01355 0.00000
|
|
140 17F 0 -0.03538 0.00000 -0.01632 0.00000 0.01425
|
|
141 17F+1 0.00000 0.02803 0.00000 0.09137 0.00000
|
|
142 17F-1 0.00000 -0.11893 0.00000 0.12658 0.00000
|
|
143 17F+2 0.01215 0.00000 0.10481 0.00000 0.05235
|
|
144 17F-2 -0.13376 0.00000 0.01899 0.00000 -0.04537
|
|
145 17F+3 0.00000 -0.02516 0.00000 -0.47061 0.00000
|
|
146 17F-3 0.00000 0.09047 0.00000 -0.22831 0.00000
|
|
147 18F 0 -0.28435 0.00000 0.17620 0.00000 -0.29550
|
|
148 18F+1 0.00000 -0.18187 0.00000 0.03311 0.00000
|
|
149 18F-1 0.00000 0.02114 0.00000 0.15943 0.00000
|
|
150 18F+2 -0.12605 0.00000 -0.05401 0.00000 -0.29717
|
|
151 18F-2 -0.04827 0.00000 0.09387 0.00000 0.24305
|
|
152 18F+3 0.00000 -0.10743 0.00000 -1.17142 0.00000
|
|
153 18F-3 0.00000 0.37017 0.00000 -1.00165 0.00000
|
|
154 19G 0 0.00000 -0.00532 0.00000 0.00023 0.00000
|
|
155 19G+1 0.00034 0.00000 0.00197 0.00000 -0.00013
|
|
156 19G-1 0.01389 0.00000 -0.00547 0.00000 0.01388
|
|
157 19G+2 0.00000 -0.00547 0.00000 -0.00533 0.00000
|
|
158 19G-2 0.00000 0.00846 0.00000 -0.00375 0.00000
|
|
159 19G+3 -0.01079 0.00000 0.00100 0.00000 -0.00342
|
|
160 19G-3 0.01241 0.00000 -0.00429 0.00000 0.00905
|
|
161 19G+4 0.00000 0.00993 0.00000 0.02253 0.00000
|
|
162 19G-4 0.00000 0.01678 0.00000 0.00734 0.00000
|
|
163 20G 0 0.00000 0.04774 0.00000 -0.00183 0.00000
|
|
164 20G+1 0.03294 0.00000 -0.01979 0.00000 -0.03319
|
|
165 20G-1 -0.09816 0.00000 0.10215 0.00000 -0.22714
|
|
166 20G+2 0.00000 0.07782 0.00000 0.21076 0.00000
|
|
167 20G-2 0.00000 -0.10105 0.00000 0.05916 0.00000
|
|
168 20G+3 0.12052 0.00000 -0.06609 0.00000 -0.00787
|
|
169 20G-3 -0.10357 0.00000 -0.03646 0.00000 -0.18600
|
|
170 20G+4 0.00000 -0.08632 0.00000 -0.53420 0.00000
|
|
171 20G-4 0.00000 -0.07441 0.00000 -0.25638 0.00000
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172 21H 0 -0.01319 0.00000 0.00228 0.00000 -0.05248
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173 21H+1 0.00000 -0.00123 0.00000 -0.00592 0.00000
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174 21H-1 0.00000 0.00083 0.00000 0.00039 0.00000
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175 21H+2 -0.02300 0.00000 0.00330 0.00000 -0.06664
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176 21H-2 -0.01376 0.00000 0.00399 0.00000 -0.04481
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177 21H+3 0.00000 -0.03107 0.00000 0.00481 0.00000
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178 21H-3 0.00000 -0.01009 0.00000 -0.01382 0.00000
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179 21H+4 -0.02071 0.00000 0.00014 0.00000 -0.05996
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180 21H-4 -0.00091 0.00000 -0.01093 0.00000 -0.05727
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181 21H+5 0.00000 -0.01343 0.00000 -0.03719 0.00000
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182 21H-5 0.00000 0.00892 0.00000 0.01292 0.00000
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183 3 H 1S 0.00000 0.12014 0.00000 -0.02001 0.00000
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184 2S 0.00000 -0.51079 0.00000 0.35535 0.00000
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185 3S 0.00000 5.05160 0.00000 1.01422 0.00000
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186 4S 0.00000 2.42599 0.00000 1.73670 0.00000
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187 5S 0.00000 0.27696 0.00000 -0.04580 0.00000
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188 6PX 0.00000 -0.05704 0.00000 -0.01266 0.00000
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189 6PY 0.00000 -0.00246 0.00000 -0.04178 0.00000
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190 6PZ -0.01144 0.00000 -0.01642 0.00000 0.01514
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191 7PX 0.00000 0.13336 0.00000 0.07137 0.00000
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192 7PY 0.00000 -0.07978 0.00000 0.07229 0.00000
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193 7PZ 0.17323 0.00000 0.00682 0.00000 0.20827
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194 8PX 0.00000 2.94213 0.00000 1.25018 0.00000
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195 8PY 0.00000 1.57541 0.00000 2.57417 0.00000
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196 8PZ 0.04059 0.00000 1.90881 0.00000 -1.90309
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197 9PX 0.00000 1.58254 0.00000 0.92428 0.00000
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198 9PY 0.00000 0.55822 0.00000 0.87265 0.00000
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199 9PZ -0.40206 0.00000 0.61739 0.00000 -1.23585
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200 10D 0 0.00000 0.04937 0.00000 -0.02419 0.00000
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201 10D+1 0.11301 0.00000 0.01641 0.00000 0.02119
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202 10D-1 -0.04998 0.00000 -0.01361 0.00000 -0.03738
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203 10D+2 0.00000 -0.09020 0.00000 -0.00930 0.00000
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204 10D-2 0.00000 0.02293 0.00000 -0.04904 0.00000
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205 11D 0 0.00000 -0.11073 0.00000 0.12281 0.00000
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206 11D+1 -0.11418 0.00000 0.54756 0.00000 -0.53846
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207 11D-1 0.17446 0.00000 0.12169 0.00000 -0.05330
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208 11D+2 0.00000 0.86613 0.00000 0.55379 0.00000
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209 11D-2 0.00000 0.32311 0.00000 0.78001 0.00000
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210 12D 0 0.00000 -0.13293 0.00000 0.07532 0.00000
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|
211 12D+1 -0.34726 0.00000 0.73862 0.00000 -1.25603
|
|
212 12D-1 -0.11052 0.00000 -0.14615 0.00000 -0.08872
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213 12D+2 0.00000 1.02478 0.00000 0.93038 0.00000
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214 12D-2 0.00000 0.58668 0.00000 0.88792 0.00000
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215 13F 0 -0.17136 0.00000 -0.06946 0.00000 0.01375
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216 13F+1 0.00000 0.01624 0.00000 -0.02550 0.00000
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217 13F-1 0.00000 -0.07915 0.00000 -0.02760 0.00000
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218 13F+2 0.09402 0.00000 0.11627 0.00000 -0.08638
|
|
219 13F-2 -0.14302 0.00000 -0.07562 0.00000 -0.03365
|
|
220 13F+3 0.00000 0.06424 0.00000 0.14503 0.00000
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|
221 13F-3 0.00000 0.05056 0.00000 0.12290 0.00000
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|
222 14F 0 0.18315 0.00000 -0.01297 0.00000 0.22068
|
|
223 14F+1 0.00000 0.00996 0.00000 0.10729 0.00000
|
|
224 14F-1 0.00000 -0.10377 0.00000 -0.11416 0.00000
|
|
225 14F+2 -0.26074 0.00000 0.21498 0.00000 -0.43306
|
|
226 14F-2 0.20469 0.00000 0.14454 0.00000 -0.14500
|
|
227 14F+3 0.00000 0.34167 0.00000 0.29292 0.00000
|
|
228 14F-3 0.00000 0.02806 0.00000 0.06820 0.00000
|
|
229 15G 0 0.00000 -0.05067 0.00000 -0.02190 0.00000
|
|
230 15G+1 -0.06988 0.00000 -0.07075 0.00000 0.08358
|
|
231 15G-1 0.04546 0.00000 0.02461 0.00000 0.03120
|
|
232 15G+2 0.00000 -0.00545 0.00000 -0.04245 0.00000
|
|
233 15G-2 0.00000 -0.07616 0.00000 -0.06585 0.00000
|
|
234 15G+3 0.01928 0.00000 0.12635 0.00000 -0.10323
|
|
235 15G-3 -0.03631 0.00000 -0.01525 0.00000 0.00511
|
|
236 15G+4 0.00000 0.11391 0.00000 0.16997 0.00000
|
|
237 15G-4 0.00000 -0.00899 0.00000 0.04902 0.00000
|
|
238 4 H 1S 0.00000 0.03430 0.00000 -0.06497 0.00000
|
|
239 2S 0.00000 0.12366 0.00000 0.41771 0.00000
|
|
240 3S 0.00000 -1.46076 0.00000 -0.45287 0.00000
|
|
241 4S 0.00000 -0.10194 0.00000 1.24989 0.00000
|
|
242 5S 0.00000 -0.10731 0.00000 -0.05393 0.00000
|
|
243 6PX 0.00000 0.01121 0.00000 0.02382 0.00000
|
|
244 6PY 0.00000 -0.01376 0.00000 -0.02171 0.00000
|
|
245 6PZ 0.00133 0.00000 0.00036 0.00000 0.00143
|
|
246 7PX 0.00000 -0.08194 0.00000 -0.28686 0.00000
|
|
247 7PY 0.00000 0.13196 0.00000 -0.04299 0.00000
|
|
248 7PZ 0.08014 0.00000 -0.05531 0.00000 -0.03307
|
|
249 8PX 0.00000 0.20888 0.00000 1.79859 0.00000
|
|
250 8PY 0.00000 -0.80078 0.00000 2.90938 0.00000
|
|
251 8PZ -0.43725 0.00000 0.17531 0.00000 -0.06566
|
|
252 9PX 0.00000 0.11315 0.00000 -0.03249 0.00000
|
|
253 9PY 0.00000 -0.19137 0.00000 1.05407 0.00000
|
|
254 9PZ -0.16003 0.00000 0.20934 0.00000 0.00860
|
|
255 10D 0 0.00000 0.02270 0.00000 -0.02477 0.00000
|
|
256 10D+1 -0.00081 0.00000 -0.00756 0.00000 -0.02016
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|
257 10D-1 -0.01952 0.00000 -0.01916 0.00000 -0.00179
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258 10D+2 0.00000 -0.02688 0.00000 0.06393 0.00000
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259 10D-2 0.00000 0.00913 0.00000 0.05057 0.00000
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|
260 11D 0 0.00000 0.00654 0.00000 0.11391 0.00000
|
|
261 11D+1 0.08975 0.00000 0.08327 0.00000 0.06651
|
|
262 11D-1 -0.02361 0.00000 0.01184 0.00000 -0.03926
|
|
263 11D+2 0.00000 0.18754 0.00000 -0.97644 0.00000
|
|
264 11D-2 0.00000 0.05876 0.00000 -0.99996 0.00000
|
|
265 12D 0 0.00000 -0.05903 0.00000 0.14838 0.00000
|
|
266 12D+1 0.27202 0.00000 -0.13177 0.00000 -0.01017
|
|
267 12D-1 -0.13922 0.00000 0.04260 0.00000 -0.02572
|
|
268 12D+2 0.00000 0.14696 0.00000 -1.34597 0.00000
|
|
269 12D-2 0.00000 0.23223 0.00000 -1.20792 0.00000
|
|
270 13F 0 0.01028 0.00000 0.00343 0.00000 -0.01195
|
|
271 13F+1 0.00000 -0.00171 0.00000 0.00342 0.00000
|
|
272 13F-1 0.00000 -0.01314 0.00000 -0.02551 0.00000
|
|
273 13F+2 0.02295 0.00000 0.02312 0.00000 0.00000
|
|
274 13F-2 0.01727 0.00000 0.01883 0.00000 0.02190
|
|
275 13F+3 0.00000 0.01869 0.00000 -0.03460 0.00000
|
|
276 13F-3 0.00000 -0.02795 0.00000 0.02132 0.00000
|
|
277 14F 0 0.08137 0.00000 0.03921 0.00000 -0.02668
|
|
278 14F+1 0.00000 0.06315 0.00000 -0.20048 0.00000
|
|
279 14F-1 0.00000 0.01512 0.00000 -0.20434 0.00000
|
|
280 14F+2 -0.05742 0.00000 -0.01761 0.00000 -0.02913
|
|
281 14F-2 0.09671 0.00000 0.01619 0.00000 0.02522
|
|
282 14F+3 0.00000 -0.12133 0.00000 0.92233 0.00000
|
|
283 14F-3 0.00000 0.00049 0.00000 0.35306 0.00000
|
|
284 15G 0 0.00000 0.00469 0.00000 -0.02704 0.00000
|
|
285 15G+1 -0.00215 0.00000 0.00049 0.00000 -0.04505
|
|
286 15G-1 -0.02890 0.00000 -0.02113 0.00000 0.01632
|
|
287 15G+2 0.00000 0.00970 0.00000 0.01742 0.00000
|
|
288 15G-2 0.00000 0.00958 0.00000 0.04433 0.00000
|
|
289 15G+3 -0.00008 0.00000 0.02412 0.00000 -0.03278
|
|
290 15G-3 -0.00986 0.00000 -0.01847 0.00000 0.02448
|
|
291 15G+4 0.00000 0.02055 0.00000 -0.11699 0.00000
|
|
292 15G-4 0.00000 0.00979 0.00000 -0.03583 0.00000
|
|
293 5 H 1S -0.07840 -0.02752 0.02092 -0.08181 0.04643
|
|
294 2S 0.39084 -0.12326 0.02054 0.74447 -0.98265
|
|
295 3S -3.75158 -0.65618 0.26445 -4.31606 5.19139
|
|
296 4S -1.77109 -0.16922 0.02965 -1.51329 2.32666
|
|
297 5S -0.14742 -0.10538 0.02553 -0.03274 -0.03679
|
|
298 6PX -0.01875 -0.01856 -0.00202 0.00432 -0.02009
|
|
299 6PY 0.01034 0.01266 -0.00065 -0.01960 -0.01729
|
|
300 6PZ -0.03066 -0.02544 0.02510 -0.00461 -0.02251
|
|
301 7PX -0.05536 0.13972 -0.02094 -0.03317 0.07255
|
|
302 7PY 0.07346 0.06394 -0.03999 -0.04607 0.36036
|
|
303 7PZ 0.05958 0.06355 -0.11139 -0.13157 0.36754
|
|
304 8PX 1.91041 0.34213 1.32086 0.03508 -0.46674
|
|
305 8PY -1.54371 -2.02489 0.85983 2.07289 -1.36007
|
|
306 8PZ 1.92896 1.01452 -1.10708 1.76939 -2.95560
|
|
307 9PX 1.02141 -0.15011 0.35634 0.02296 -0.02368
|
|
308 9PY -0.53691 -0.70770 0.28307 0.81225 -1.13925
|
|
309 9PZ 0.90902 0.51549 -0.27892 0.86918 -1.43043
|
|
310 10D 0 0.01407 0.08574 0.02553 0.06420 0.00045
|
|
311 10D+1 0.06898 -0.02690 -0.05207 0.01262 0.02297
|
|
312 10D-1 0.01701 0.01350 0.00709 0.05803 -0.06289
|
|
313 10D+2 0.02403 -0.02347 -0.03044 -0.02863 -0.00449
|
|
314 10D-2 0.02527 -0.03167 -0.03178 0.00286 -0.01593
|
|
315 11D 0 -0.36909 -0.52070 0.49527 -0.24100 0.37872
|
|
316 11D+1 -0.48331 -0.10461 -0.11362 0.01637 0.11392
|
|
317 11D-1 0.22230 0.33768 -0.20886 -0.59036 0.24159
|
|
318 11D+2 -0.59914 -0.37316 -0.03278 0.30473 -0.17099
|
|
319 11D-2 0.03448 0.30053 0.02445 -0.11760 0.13045
|
|
320 12D 0 -0.44196 -0.76272 0.52746 -0.26648 0.74848
|
|
321 12D+1 -0.73092 -0.06822 -0.24106 0.07985 0.33440
|
|
322 12D-1 0.46334 0.63081 -0.18212 -0.78525 0.66723
|
|
323 12D+2 -0.90429 -0.41015 -0.02280 0.54120 -0.69566
|
|
324 12D-2 0.12536 0.31826 -0.32599 -0.17070 0.27919
|
|
325 13F 0 0.07451 -0.02644 -0.14932 -0.06153 -0.06134
|
|
326 13F+1 0.03447 0.05264 0.00001 -0.06087 -0.09777
|
|
327 13F-1 -0.01509 -0.10206 -0.06865 0.01566 0.08531
|
|
328 13F+2 0.05472 0.15339 0.06550 -0.02176 -0.02178
|
|
329 13F-2 -0.08602 -0.00816 0.10049 0.02154 0.06875
|
|
330 13F+3 0.06644 0.00039 -0.00353 -0.03420 0.02400
|
|
331 13F-3 0.03733 0.04561 0.05448 0.04132 0.04814
|
|
332 14F 0 0.03420 0.38174 -0.12961 0.06285 -0.09587
|
|
333 14F+1 0.07599 -0.01114 0.01267 0.03669 -0.10875
|
|
334 14F-1 0.03235 0.09934 0.13135 0.21177 -0.09784
|
|
335 14F+2 0.32515 0.11333 -0.09408 -0.23633 0.27755
|
|
336 14F-2 0.01154 -0.16662 -0.04994 0.02873 -0.15568
|
|
337 14F+3 0.20525 0.08527 0.07262 -0.09362 0.25724
|
|
338 14F-3 0.20738 0.01448 -0.09431 -0.12971 0.02122
|
|
339 15G 0 -0.04514 -0.04467 0.12342 0.01875 0.05450
|
|
340 15G+1 -0.03119 -0.03101 0.05507 0.04938 0.06203
|
|
341 15G-1 -0.03728 0.00062 0.05436 -0.02803 -0.03390
|
|
342 15G+2 -0.06246 -0.11077 -0.01382 0.06215 0.00135
|
|
343 15G-2 0.03260 0.03443 -0.02160 -0.01296 -0.00216
|
|
344 15G+3 -0.11393 -0.06926 -0.01465 0.04399 -0.00387
|
|
345 15G-3 -0.04437 -0.05393 -0.03985 -0.01834 -0.04041
|
|
346 15G+4 -0.01880 0.00620 -0.02731 0.01346 -0.00578
|
|
347 15G-4 -0.06656 -0.01659 0.00803 0.00890 -0.05877
|
|
348 6 H 1S 0.07840 -0.02752 -0.02092 -0.08181 -0.04643
|
|
349 2S -0.39084 -0.12326 -0.02054 0.74447 0.98265
|
|
350 3S 3.75158 -0.65618 -0.26445 -4.31606 -5.19139
|
|
351 4S 1.77109 -0.16922 -0.02965 -1.51329 -2.32666
|
|
352 5S 0.14742 -0.10538 -0.02553 -0.03274 0.03679
|
|
353 6PX 0.01875 -0.01856 0.00202 0.00432 0.02009
|
|
354 6PY -0.01034 0.01266 0.00065 -0.01960 0.01729
|
|
355 6PZ -0.03066 0.02544 0.02510 0.00461 -0.02251
|
|
356 7PX 0.05536 0.13972 0.02094 -0.03317 -0.07255
|
|
357 7PY -0.07346 0.06394 0.03999 -0.04607 -0.36036
|
|
358 7PZ 0.05958 -0.06355 -0.11139 0.13157 0.36754
|
|
359 8PX -1.91041 0.34213 -1.32086 0.03508 0.46674
|
|
360 8PY 1.54371 -2.02489 -0.85983 2.07289 1.36007
|
|
361 8PZ 1.92896 -1.01452 -1.10708 -1.76939 -2.95560
|
|
362 9PX -1.02141 -0.15011 -0.35634 0.02296 0.02368
|
|
363 9PY 0.53691 -0.70770 -0.28307 0.81225 1.13925
|
|
364 9PZ 0.90902 -0.51549 -0.27892 -0.86918 -1.43043
|
|
365 10D 0 -0.01407 0.08574 -0.02553 0.06420 -0.00045
|
|
366 10D+1 0.06898 0.02690 -0.05207 -0.01262 0.02297
|
|
367 10D-1 0.01701 -0.01350 0.00709 -0.05803 -0.06289
|
|
368 10D+2 -0.02403 -0.02347 0.03044 -0.02863 0.00449
|
|
369 10D-2 -0.02527 -0.03167 0.03178 0.00286 0.01593
|
|
370 11D 0 0.36909 -0.52070 -0.49527 -0.24100 -0.37872
|
|
371 11D+1 -0.48331 0.10461 -0.11362 -0.01637 0.11392
|
|
372 11D-1 0.22230 -0.33768 -0.20886 0.59036 0.24159
|
|
373 11D+2 0.59914 -0.37316 0.03278 0.30473 0.17099
|
|
374 11D-2 -0.03448 0.30053 -0.02445 -0.11760 -0.13045
|
|
375 12D 0 0.44196 -0.76272 -0.52746 -0.26648 -0.74848
|
|
376 12D+1 -0.73092 0.06822 -0.24106 -0.07985 0.33440
|
|
377 12D-1 0.46334 -0.63081 -0.18212 0.78525 0.66723
|
|
378 12D+2 0.90429 -0.41015 0.02280 0.54120 0.69566
|
|
379 12D-2 -0.12536 0.31826 0.32599 -0.17070 -0.27919
|
|
380 13F 0 0.07451 0.02644 -0.14932 0.06153 -0.06134
|
|
381 13F+1 -0.03447 0.05264 -0.00001 -0.06087 0.09777
|
|
382 13F-1 0.01509 -0.10206 0.06865 0.01566 -0.08531
|
|
383 13F+2 0.05472 -0.15339 0.06550 0.02176 -0.02178
|
|
384 13F-2 -0.08602 0.00816 0.10049 -0.02154 0.06875
|
|
385 13F+3 -0.06644 0.00039 0.00353 -0.03420 -0.02400
|
|
386 13F-3 -0.03733 0.04561 -0.05448 0.04132 -0.04814
|
|
387 14F 0 0.03420 -0.38174 -0.12961 -0.06285 -0.09587
|
|
388 14F+1 -0.07599 -0.01114 -0.01267 0.03669 0.10875
|
|
389 14F-1 -0.03235 0.09934 -0.13135 0.21177 0.09784
|
|
390 14F+2 0.32515 -0.11333 -0.09408 0.23633 0.27755
|
|
391 14F-2 0.01154 0.16662 -0.04994 -0.02873 -0.15568
|
|
392 14F+3 -0.20525 0.08527 -0.07262 -0.09362 -0.25724
|
|
393 14F-3 -0.20738 0.01448 0.09431 -0.12971 -0.02122
|
|
394 15G 0 0.04514 -0.04467 -0.12342 0.01875 -0.05450
|
|
395 15G+1 -0.03119 0.03101 0.05507 -0.04938 0.06203
|
|
396 15G-1 -0.03728 -0.00062 0.05436 0.02803 -0.03390
|
|
397 15G+2 0.06246 -0.11077 0.01382 0.06215 -0.00135
|
|
398 15G-2 -0.03260 0.03443 0.02160 -0.01296 0.00216
|
|
399 15G+3 -0.11393 0.06926 -0.01465 -0.04399 -0.00387
|
|
400 15G-3 -0.04437 0.05393 -0.03985 0.01834 -0.04041
|
|
401 15G+4 0.01880 0.00620 0.02731 0.01346 0.00578
|
|
402 15G-4 0.06656 -0.01659 -0.00803 0.00890 0.05877
|
|
246 247 248 249 250
|
|
V V V V V
|
|
Eigenvalues -- 10.62606 10.78166 10.89644 10.91078 11.33731
|
|
1 1 C 1S 0.00183 0.00000 0.03049 0.02268 0.00319
|
|
2 2S 0.05967 0.00000 -0.42116 -0.35931 0.01049
|
|
3 3S 0.40057 0.00000 -2.12314 -1.88157 0.67364
|
|
4 4S -0.66255 0.00000 2.38625 2.82600 -6.00727
|
|
5 5S -1.85044 0.00000 7.38933 3.61850 9.30638
|
|
6 6S -0.19971 0.00000 0.54175 0.23677 0.83514
|
|
7 7PX -0.22134 0.00000 -0.13508 0.15054 0.06635
|
|
8 7PY -0.11506 0.00000 0.06460 0.15557 0.33296
|
|
9 7PZ 0.00000 -0.26179 0.00000 0.00000 0.00000
|
|
10 8PX 0.39183 0.00000 -0.13719 0.26285 -0.28202
|
|
11 8PY 0.67425 0.00000 -0.85495 -1.10806 0.10702
|
|
12 8PZ 0.00000 0.00411 0.00000 0.00000 0.00000
|
|
13 9PX 3.27592 0.00000 3.38785 -4.40915 0.68695
|
|
14 9PY -3.70404 0.00000 4.62467 5.63313 -7.29021
|
|
15 9PZ 0.00000 4.20753 0.00000 0.00000 0.00000
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|
|
273 13F+2 0.00000 -0.05081 0.00000 0.00000 0.00000
|
|
274 13F-2 0.00000 -0.02105 0.00000 0.00000 0.00000
|
|
275 13F+3 0.04320 0.00000 0.01346 0.01504 0.01547
|
|
276 13F-3 -0.06786 0.00000 -0.00279 -0.01802 0.00668
|
|
277 14F 0 0.00000 0.01550 0.00000 0.00000 0.00000
|
|
278 14F+1 0.21587 0.00000 0.11216 0.17188 0.16301
|
|
279 14F-1 -0.15764 0.00000 -0.02093 0.05396 -0.01393
|
|
280 14F+2 0.00000 0.06698 0.00000 0.00000 0.00000
|
|
281 14F-2 0.00000 0.05076 0.00000 0.00000 0.00000
|
|
282 14F+3 -0.00455 0.00000 -0.27719 -0.18124 -0.27036
|
|
283 14F-3 0.11379 0.00000 -0.02791 0.08036 0.16064
|
|
284 15G 0 -0.02061 0.00000 -0.00044 0.00224 -0.01094
|
|
285 15G+1 0.00000 0.03012 0.00000 0.00000 0.00000
|
|
286 15G-1 0.00000 0.05259 0.00000 0.00000 0.00000
|
|
287 15G+2 -0.04361 0.00000 -0.06069 0.04342 -0.03600
|
|
288 15G-2 -0.05228 0.00000 -0.05747 0.06001 0.03006
|
|
289 15G+3 0.00000 0.04486 0.00000 0.00000 0.00000
|
|
290 15G-3 0.00000 0.00747 0.00000 0.00000 0.00000
|
|
291 15G+4 -0.02515 0.00000 0.03871 0.02831 0.01466
|
|
292 15G-4 -0.03072 0.00000 0.00478 -0.00235 0.02109
|
|
293 5 H 1S -0.00139 -0.10515 -0.19301 -0.09306 -0.06112
|
|
294 2S 0.24176 0.33049 0.44649 0.15268 -0.56755
|
|
295 3S -0.40846 -2.66072 -4.02354 -1.06695 -1.38206
|
|
296 4S -0.48511 -1.00176 -1.82360 0.07609 -1.04221
|
|
297 5S 0.04111 -0.27703 -0.13780 0.02395 0.03609
|
|
298 6PX -0.00044 -0.02746 -0.04253 -0.01903 -0.03562
|
|
299 6PY 0.00659 -0.01451 -0.02887 -0.01500 -0.03626
|
|
300 6PZ 0.01195 -0.04538 -0.08118 -0.02484 -0.06613
|
|
301 7PX -0.15345 0.06134 0.24186 -0.01825 0.27721
|
|
302 7PY -0.20545 0.05021 0.17275 0.10958 0.08033
|
|
303 7PZ 0.03143 0.19066 0.29879 0.15906 0.51101
|
|
304 8PX 1.06232 1.32845 0.08761 1.95167 -0.32917
|
|
305 8PY 0.81002 0.45650 -0.26293 -0.82651 1.89216
|
|
306 8PZ -0.46072 0.46581 2.27090 0.11806 -1.14592
|
|
307 9PX 0.85534 0.47452 0.22697 0.66336 -0.00386
|
|
308 9PY 0.74867 0.13879 -0.10942 -0.18025 0.83983
|
|
309 9PZ -0.40892 0.18952 1.05692 -0.08592 -0.00579
|
|
310 10D 0 -0.02545 0.07338 0.17726 -0.02508 -0.07465
|
|
311 10D+1 -0.02358 0.13669 0.11611 0.08199 -0.08623
|
|
312 10D-1 0.01955 0.03058 0.07783 0.01397 0.01011
|
|
313 10D+2 -0.00049 0.07554 0.03221 0.03056 -0.01992
|
|
314 10D-2 0.05623 0.04760 0.02204 0.03464 0.01212
|
|
315 11D 0 0.34757 -0.01917 -0.83283 0.11169 0.57217
|
|
316 11D+1 -0.15603 -0.64848 -0.40614 -0.53418 0.32049
|
|
317 11D-1 -0.18001 -0.00346 -0.13414 0.13543 -0.37818
|
|
318 11D+2 -0.04143 -0.13447 -0.03503 -0.49333 0.33628
|
|
319 11D-2 -0.04260 -0.11225 0.07319 -0.19029 -0.27002
|
|
320 12D 0 0.84127 0.30766 -0.76236 0.34590 0.91764
|
|
321 12D+1 -0.51789 -0.37771 0.05357 -0.61401 0.62610
|
|
322 12D-1 -0.39335 0.11000 0.29872 0.35242 -0.45141
|
|
323 12D+2 0.02381 -0.24330 -0.10839 -0.67935 0.56518
|
|
324 12D-2 -0.22349 -0.01987 0.23325 -0.02809 -0.31405
|
|
325 13F 0 -0.02825 -0.03311 -0.06046 0.04470 0.07732
|
|
326 13F+1 0.08816 -0.06362 -0.03984 -0.00276 0.20792
|
|
327 13F-1 -0.02580 0.00639 -0.06181 0.04144 0.08310
|
|
328 13F+2 0.03144 -0.06218 -0.01965 -0.00837 0.07792
|
|
329 13F-2 -0.06065 -0.07395 0.03474 -0.01087 0.08349
|
|
330 13F+3 0.05792 -0.03579 0.00708 0.01093 0.01307
|
|
331 13F-3 -0.04118 -0.02392 0.00245 -0.05687 0.00776
|
|
332 14F 0 -0.47164 -0.16362 0.41231 -0.20119 -0.42179
|
|
333 14F+1 0.01176 0.26245 0.15608 0.04372 -0.52094
|
|
334 14F-1 0.09456 -0.13682 -0.00018 -0.08405 -0.10130
|
|
335 14F+2 -0.03385 0.22653 0.05295 0.38444 -0.40036
|
|
336 14F-2 0.07434 -0.00901 -0.09108 0.08822 0.03004
|
|
337 14F+3 0.01338 0.05415 0.07878 0.15510 -0.19041
|
|
338 14F-3 -0.04829 -0.03281 -0.06577 0.14550 -0.06797
|
|
339 15G 0 0.08704 0.05937 -0.01657 0.01090 0.03387
|
|
340 15G+1 0.00215 -0.02537 -0.05426 0.00113 -0.01104
|
|
341 15G-1 0.03045 0.00155 0.00246 -0.01941 -0.00006
|
|
342 15G+2 -0.01822 -0.02511 -0.01234 -0.04434 0.00830
|
|
343 15G-2 -0.01150 0.02894 -0.04011 -0.03666 -0.05422
|
|
344 15G+3 -0.06245 0.02686 0.00945 -0.04867 0.03249
|
|
345 15G-3 0.04521 0.01511 0.00290 -0.03354 -0.00940
|
|
346 15G+4 -0.01063 -0.01294 -0.00235 -0.01688 0.00363
|
|
347 15G-4 -0.00193 0.01153 -0.00785 0.01531 0.01636
|
|
348 6 H 1S -0.00139 0.10515 -0.19301 -0.09306 -0.06112
|
|
349 2S 0.24176 -0.33049 0.44649 0.15268 -0.56755
|
|
350 3S -0.40846 2.66072 -4.02354 -1.06695 -1.38206
|
|
351 4S -0.48511 1.00176 -1.82360 0.07609 -1.04221
|
|
352 5S 0.04111 0.27703 -0.13780 0.02395 0.03609
|
|
353 6PX -0.00044 0.02746 -0.04253 -0.01903 -0.03562
|
|
354 6PY 0.00659 0.01451 -0.02887 -0.01500 -0.03626
|
|
355 6PZ -0.01195 -0.04538 0.08118 0.02484 0.06613
|
|
356 7PX -0.15345 -0.06134 0.24186 -0.01825 0.27721
|
|
357 7PY -0.20545 -0.05021 0.17275 0.10958 0.08033
|
|
358 7PZ -0.03143 0.19066 -0.29879 -0.15906 -0.51101
|
|
359 8PX 1.06232 -1.32845 0.08761 1.95167 -0.32917
|
|
360 8PY 0.81002 -0.45650 -0.26293 -0.82651 1.89216
|
|
361 8PZ 0.46072 0.46581 -2.27090 -0.11806 1.14592
|
|
362 9PX 0.85534 -0.47452 0.22697 0.66336 -0.00386
|
|
363 9PY 0.74867 -0.13879 -0.10942 -0.18025 0.83983
|
|
364 9PZ 0.40892 0.18952 -1.05692 0.08592 0.00579
|
|
365 10D 0 -0.02545 -0.07338 0.17726 -0.02508 -0.07465
|
|
366 10D+1 0.02358 0.13669 -0.11611 -0.08199 0.08623
|
|
367 10D-1 -0.01955 0.03058 -0.07783 -0.01397 -0.01011
|
|
368 10D+2 -0.00049 -0.07554 0.03221 0.03056 -0.01992
|
|
369 10D-2 0.05623 -0.04760 0.02204 0.03464 0.01212
|
|
370 11D 0 0.34757 0.01917 -0.83283 0.11169 0.57217
|
|
371 11D+1 0.15603 -0.64848 0.40614 0.53418 -0.32049
|
|
372 11D-1 0.18001 -0.00346 0.13414 -0.13543 0.37818
|
|
373 11D+2 -0.04143 0.13447 -0.03503 -0.49333 0.33628
|
|
374 11D-2 -0.04260 0.11225 0.07319 -0.19029 -0.27002
|
|
375 12D 0 0.84127 -0.30766 -0.76236 0.34590 0.91764
|
|
376 12D+1 0.51789 -0.37771 -0.05357 0.61401 -0.62610
|
|
377 12D-1 0.39335 0.11000 -0.29872 -0.35242 0.45141
|
|
378 12D+2 0.02381 0.24330 -0.10839 -0.67935 0.56518
|
|
379 12D-2 -0.22349 0.01987 0.23325 -0.02809 -0.31405
|
|
380 13F 0 0.02825 -0.03311 0.06046 -0.04470 -0.07732
|
|
381 13F+1 0.08816 0.06362 -0.03984 -0.00276 0.20792
|
|
382 13F-1 -0.02580 -0.00639 -0.06181 0.04144 0.08310
|
|
383 13F+2 -0.03144 -0.06218 0.01965 0.00837 -0.07792
|
|
384 13F-2 0.06065 -0.07395 -0.03474 0.01087 -0.08349
|
|
385 13F+3 0.05792 0.03579 0.00708 0.01093 0.01307
|
|
386 13F-3 -0.04118 0.02392 0.00245 -0.05687 0.00776
|
|
387 14F 0 0.47164 -0.16362 -0.41231 0.20119 0.42179
|
|
388 14F+1 0.01176 -0.26245 0.15608 0.04372 -0.52094
|
|
389 14F-1 0.09456 0.13682 -0.00018 -0.08405 -0.10130
|
|
390 14F+2 0.03385 0.22653 -0.05295 -0.38444 0.40036
|
|
391 14F-2 -0.07434 -0.00901 0.09108 -0.08822 -0.03004
|
|
392 14F+3 0.01338 -0.05415 0.07878 0.15510 -0.19041
|
|
393 14F-3 -0.04829 0.03281 -0.06577 0.14550 -0.06797
|
|
394 15G 0 0.08704 -0.05937 -0.01657 0.01090 0.03387
|
|
395 15G+1 -0.00215 -0.02537 0.05426 -0.00113 0.01104
|
|
396 15G-1 -0.03045 0.00155 -0.00246 0.01941 0.00006
|
|
397 15G+2 -0.01822 0.02511 -0.01234 -0.04434 0.00830
|
|
398 15G-2 -0.01150 -0.02894 -0.04011 -0.03666 -0.05422
|
|
399 15G+3 0.06245 0.02686 -0.00945 0.04867 -0.03249
|
|
400 15G-3 -0.04521 0.01511 -0.00290 0.03354 0.00940
|
|
401 15G+4 -0.01063 0.01294 -0.00235 -0.01688 0.00363
|
|
402 15G-4 -0.00193 -0.01153 -0.00785 0.01531 0.01636
|
|
251 252 253 254 255
|
|
V V V V V
|
|
Eigenvalues -- 11.33857 11.38122 11.44156 11.52300 11.60997
|
|
1 1 C 1S 0.00000 -0.00161 0.00000 -0.01033 0.03453
|
|
2 2S 0.00000 0.06433 0.00000 0.08424 -0.58411
|
|
3 3S 0.00000 0.28769 0.00000 0.56423 -4.07738
|
|
4 4S 0.00000 0.19070 0.00000 -2.21409 15.71925
|
|
5 5S 0.00000 -2.80216 0.00000 2.07297 -10.97787
|
|
6 6S 0.00000 -0.50431 0.00000 0.36250 -0.44199
|
|
7 7PX 0.00000 0.49897 0.00000 0.81752 0.19414
|
|
8 7PY 0.00000 0.01782 0.00000 0.14963 -0.20296
|
|
9 7PZ 0.20313 0.00000 0.94262 0.00000 0.00000
|
|
10 8PX 0.00000 -2.34815 0.00000 -4.16722 -1.01370
|
|
11 8PY 0.00000 -0.42568 0.00000 -0.83443 1.28005
|
|
12 8PZ -0.60210 0.00000 -4.94725 0.00000 0.00000
|
|
13 9PX 0.00000 7.53608 0.00000 13.98655 2.91503
|
|
14 9PY 0.00000 2.29704 0.00000 2.78032 -1.29961
|
|
15 9PZ -0.06865 0.00000 17.96399 0.00000 0.00000
|
|
16 10PX 0.00000 6.20435 0.00000 8.74398 1.66432
|
|
17 10PY 0.00000 1.17695 0.00000 1.33531 0.82942
|
|
18 10PZ 2.02229 0.00000 11.19585 0.00000 0.00000
|
|
19 11PX 0.00000 -0.01900 0.00000 0.22570 0.07223
|
|
20 11PY 0.00000 0.12378 0.00000 0.02063 0.04942
|
|
21 11PZ -0.09175 0.00000 0.27586 0.00000 0.00000
|
|
22 12D 0 0.00000 -0.08582 0.00000 -0.23143 -0.02141
|
|
23 12D+1 -0.01074 0.00000 -0.25995 0.00000 0.00000
|
|
24 12D-1 -0.03013 0.00000 -0.33368 0.00000 0.00000
|
|
25 12D+2 0.00000 0.13430 0.00000 0.12999 0.06765
|
|
26 12D-2 0.00000 -0.14339 0.00000 -0.23427 -0.05711
|
|
27 13D 0 0.00000 -0.22424 0.00000 -0.07153 0.03420
|
|
28 13D+1 -0.26824 0.00000 -0.10544 0.00000 0.00000
|
|
29 13D-1 -0.64979 0.00000 0.23207 0.00000 0.00000
|
|
30 13D+2 0.00000 0.12447 0.00000 -0.04665 0.14587
|
|
31 13D-2 0.00000 -0.37289 0.00000 0.35778 0.05963
|
|
32 14D 0 0.00000 4.42628 0.00000 2.39473 1.76791
|
|
33 14D+1 3.56357 0.00000 4.59142 0.00000 0.00000
|
|
34 14D-1 6.11829 0.00000 2.07652 0.00000 0.00000
|
|
35 14D+2 0.00000 -3.93789 0.00000 -1.15890 1.33568
|
|
36 14D-2 0.00000 5.30100 0.00000 -1.29658 0.10919
|
|
37 15D 0 0.00000 1.51617 0.00000 1.43606 0.66394
|
|
38 15D+1 0.85886 0.00000 2.15202 0.00000 0.00000
|
|
39 15D-1 1.21996 0.00000 1.21443 0.00000 0.00000
|
|
40 15D+2 0.00000 -0.92258 0.00000 -0.75106 0.33616
|
|
41 15D-2 0.00000 1.23927 0.00000 0.02724 0.10523
|
|
42 16F 0 -0.11186 0.00000 -0.35685 0.00000 0.00000
|
|
43 16F+1 0.00000 0.14288 0.00000 -0.25413 0.39149
|
|
44 16F-1 0.00000 -0.92272 0.00000 0.12155 0.74035
|
|
45 16F+2 -0.00871 0.00000 -0.43929 0.00000 0.00000
|
|
46 16F-2 -1.14960 0.00000 -0.23028 0.00000 0.00000
|
|
47 16F+3 0.00000 -0.56236 0.00000 -0.33621 -0.48942
|
|
48 16F-3 0.00000 0.56518 0.00000 -0.47435 0.76210
|
|
49 17F 0 -0.25778 0.00000 1.20122 0.00000 0.00000
|
|
50 17F+1 0.00000 -0.55485 0.00000 0.72912 0.07285
|
|
51 17F-1 0.00000 2.21223 0.00000 -0.63901 -1.00071
|
|
52 17F+2 -0.69710 0.00000 1.56470 0.00000 0.00000
|
|
53 17F-2 2.83475 0.00000 0.45281 0.00000 0.00000
|
|
54 17F+3 0.00000 0.80878 0.00000 1.76481 0.89890
|
|
55 17F-3 0.00000 -1.69345 0.00000 1.37634 -0.84065
|
|
56 18F 0 0.17753 0.00000 0.07439 0.00000 0.00000
|
|
57 18F+1 0.00000 -0.15565 0.00000 0.08977 -0.75883
|
|
58 18F-1 0.00000 0.51961 0.00000 -0.01641 -1.23801
|
|
59 18F+2 0.37317 0.00000 0.04596 0.00000 0.00000
|
|
60 18F-2 0.75306 0.00000 0.16770 0.00000 0.00000
|
|
61 18F+3 0.00000 0.57987 0.00000 -0.39898 0.57410
|
|
62 18F-3 0.00000 -0.39511 0.00000 0.34857 -1.14811
|
|
63 19G 0 0.00000 -0.06083 0.00000 -0.21228 0.07919
|
|
64 19G+1 -0.37778 0.00000 0.46300 0.00000 0.00000
|
|
65 19G-1 0.04883 0.00000 0.14629 0.00000 0.00000
|
|
66 19G+2 0.00000 -0.24756 0.00000 0.41516 0.30011
|
|
67 19G-2 0.00000 0.03445 0.00000 0.04461 0.05670
|
|
68 19G+3 -0.19813 0.00000 0.01945 0.00000 0.00000
|
|
69 19G-3 0.01177 0.00000 0.10669 0.00000 0.00000
|
|
70 19G+4 0.00000 -0.09311 0.00000 -0.30331 0.18565
|
|
71 19G-4 0.00000 0.19976 0.00000 -0.10337 0.04722
|
|
72 20G 0 0.00000 -0.56946 0.00000 -0.55072 -0.02103
|
|
73 20G+1 -0.62052 0.00000 1.82550 0.00000 0.00000
|
|
74 20G-1 -0.72108 0.00000 1.30546 0.00000 0.00000
|
|
75 20G+2 0.00000 -0.13144 0.00000 1.42948 0.44121
|
|
76 20G-2 0.00000 0.00297 0.00000 1.07722 -0.69776
|
|
77 20G+3 -0.49176 0.00000 0.10133 0.00000 0.00000
|
|
78 20G-3 -0.68213 0.00000 1.12356 0.00000 0.00000
|
|
79 20G+4 0.00000 -0.02455 0.00000 -1.19763 -0.33576
|
|
80 20G-4 0.00000 -0.31461 0.00000 1.37152 0.50734
|
|
81 21H 0 -0.64117 0.00000 0.04638 0.00000 0.00000
|
|
82 21H+1 0.00000 0.15149 0.00000 0.24375 0.16752
|
|
83 21H-1 0.00000 0.00416 0.00000 -0.04767 -0.02111
|
|
84 21H+2 -0.44504 0.00000 0.38002 0.00000 0.00000
|
|
85 21H-2 0.06847 0.00000 0.81970 0.00000 0.00000
|
|
86 21H+3 0.00000 -0.56852 0.00000 0.09946 0.19145
|
|
87 21H-3 0.00000 0.18643 0.00000 0.58151 0.11102
|
|
88 21H+4 -0.57851 0.00000 0.20032 0.00000 0.00000
|
|
89 21H-4 -0.01907 0.00000 0.04338 0.00000 0.00000
|
|
90 21H+5 0.00000 -0.40060 0.00000 0.81582 0.06015
|
|
91 21H-5 0.00000 -0.25322 0.00000 -0.23448 -0.12499
|
|
92 2 O 1S 0.00000 0.00377 0.00000 -0.00234 -0.02740
|
|
93 2S 0.00000 0.01353 0.00000 0.00136 0.32735
|
|
94 3S 0.00000 0.08121 0.00000 -0.00691 1.26406
|
|
95 4S 0.00000 0.02142 0.00000 -0.32847 -2.29259
|
|
96 5S 0.00000 -1.19121 0.00000 2.19981 1.63000
|
|
97 6S 0.00000 -0.11372 0.00000 1.59388 1.95058
|
|
98 7PX 0.00000 -0.04681 0.00000 0.04305 0.00174
|
|
99 7PY 0.00000 -0.03313 0.00000 -0.01038 0.05800
|
|
100 7PZ -0.06841 0.00000 0.02607 0.00000 0.00000
|
|
101 8PX 0.00000 -0.02637 0.00000 0.03395 0.09365
|
|
102 8PY 0.00000 -0.06136 0.00000 0.03527 -0.25242
|
|
103 8PZ -0.08974 0.00000 0.05336 0.00000 0.00000
|
|
104 9PX 0.00000 -0.19082 0.00000 0.53217 -1.44716
|
|
105 9PY 0.00000 0.19957 0.00000 -0.25076 1.62664
|
|
106 9PZ 0.05259 0.00000 -0.03330 0.00000 0.00000
|
|
107 10PX 0.00000 -0.39965 0.00000 -2.03067 0.31543
|
|
108 10PY 0.00000 1.24544 0.00000 0.88139 1.58620
|
|
109 10PZ 1.75133 0.00000 -1.86749 0.00000 0.00000
|
|
110 11PX 0.00000 -0.19899 0.00000 -0.13060 -0.03532
|
|
111 11PY 0.00000 0.13293 0.00000 0.10700 0.33537
|
|
112 11PZ 0.10580 0.00000 -0.22741 0.00000 0.00000
|
|
113 12D 0 0.00000 -0.00687 0.00000 -0.00009 0.00262
|
|
114 12D+1 -0.00610 0.00000 -0.00018 0.00000 0.00000
|
|
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366 10D+1 -0.04825 0.02087 0.07369 0.00339 -0.05466
|
|
367 10D-1 -0.11734 0.07529 0.08596 -0.04631 -0.09715
|
|
368 10D+2 -0.07156 0.01587 0.04543 -0.07389 -0.03258
|
|
369 10D-2 0.08455 0.00243 -0.03695 0.01618 0.04640
|
|
370 11D 0 0.62254 -0.07898 -0.33639 -0.32458 -0.12329
|
|
371 11D+1 -0.13286 0.37578 -0.21262 -0.44445 0.13217
|
|
372 11D-1 0.60205 -0.32886 -0.80209 0.55692 0.62763
|
|
373 11D+2 0.28133 -0.33116 -0.23042 0.50262 0.27052
|
|
374 11D-2 -0.44683 0.05270 0.53697 -0.02701 -0.29151
|
|
375 12D 0 0.89333 -0.11037 -0.71523 -0.46827 -0.39470
|
|
376 12D+1 -0.19721 0.55434 -0.20992 -0.82716 0.42280
|
|
377 12D-1 0.52935 -0.36196 -0.91723 0.49808 1.16639
|
|
378 12D+2 0.31463 -0.42097 -0.36985 0.78501 0.46502
|
|
379 12D-2 -0.54339 -0.06408 0.60227 0.08316 -0.57338
|
|
380 13F 0 -0.03953 0.04989 0.11754 0.01632 0.02213
|
|
381 13F+1 -0.14984 0.08822 -0.13891 0.08281 -0.11368
|
|
382 13F-1 -0.16370 0.12284 -0.12556 0.06002 -0.13715
|
|
383 13F+2 -0.06466 0.04060 0.04866 -0.09561 -0.03272
|
|
384 13F-2 0.12519 -0.08720 0.15437 -0.11023 0.19706
|
|
385 13F+3 0.08950 -0.02695 -0.00485 0.05184 0.03025
|
|
386 13F-3 -0.08202 0.03605 0.00106 -0.00227 0.03637
|
|
387 14F 0 0.45091 0.02748 -0.49011 -0.21644 0.02610
|
|
388 14F+1 -0.09896 0.07943 0.38453 -0.35258 0.26555
|
|
389 14F-1 0.28137 -0.31378 0.02294 0.14853 0.47956
|
|
390 14F+2 0.26680 -0.34100 -0.26563 0.51294 0.26070
|
|
391 14F-2 -0.46845 0.12799 0.13247 0.11249 -0.48101
|
|
392 14F+3 -0.23603 0.15014 0.13679 -0.16224 -0.21562
|
|
393 14F-3 0.12568 0.05219 0.02226 -0.15131 0.01533
|
|
394 15G 0 -0.00627 0.04861 -0.04567 0.00187 0.01830
|
|
395 15G+1 -0.10073 0.03857 -0.00496 -0.00590 -0.02991
|
|
396 15G-1 -0.05541 0.01218 -0.04524 0.09952 0.00297
|
|
397 15G+2 0.02178 -0.02766 -0.03267 0.03414 0.03171
|
|
398 15G-2 -0.02575 -0.01772 0.11881 -0.06768 0.03821
|
|
399 15G+3 0.00721 0.00604 0.08284 -0.03374 -0.02161
|
|
400 15G-3 -0.01576 0.01895 -0.07143 -0.03139 -0.01661
|
|
401 15G+4 -0.02264 0.02440 -0.01697 -0.01182 0.00756
|
|
402 15G-4 0.01384 -0.03968 0.01077 0.01032 -0.00114
|
|
256 257 258 259 260
|
|
V V V V V
|
|
Eigenvalues -- 11.78277 11.80256 11.82832 12.07550 12.45141
|
|
1 1 C 1S -0.01267 0.00000 0.00000 -0.03546 0.00000
|
|
2 2S 0.12603 0.00000 0.00000 0.19146 0.00000
|
|
3 3S 0.68987 0.00000 0.00000 0.77335 0.00000
|
|
4 4S -0.84833 0.00000 0.00000 0.83944 0.00000
|
|
5 5S -4.08072 0.00000 0.00000 -7.48082 0.00000
|
|
6 6S -0.55726 0.00000 0.00000 -3.01648 0.00000
|
|
7 7PX -0.49473 0.00000 0.00000 0.02622 0.00000
|
|
8 7PY 0.30331 0.00000 0.00000 0.78281 0.00000
|
|
9 7PZ 0.00000 -0.29927 -0.36361 0.00000 0.04995
|
|
10 8PX 1.39629 0.00000 0.00000 0.09054 0.00000
|
|
11 8PY -1.63322 0.00000 0.00000 -4.27884 0.00000
|
|
12 8PZ 0.00000 0.78306 0.96847 0.00000 -0.20636
|
|
13 9PX 1.64316 0.00000 0.00000 -1.51434 0.00000
|
|
14 9PY 5.71187 0.00000 0.00000 14.15852 0.00000
|
|
15 9PZ 0.00000 1.16435 1.40901 0.00000 1.57809
|
|
16 10PX -0.52663 0.00000 0.00000 -0.75171 0.00000
|
|
17 10PY 2.61060 0.00000 0.00000 8.48217 0.00000
|
|
18 10PZ 0.00000 -0.43914 -0.66733 0.00000 0.62106
|
|
19 11PX 0.22121 0.00000 0.00000 -0.19571 0.00000
|
|
20 11PY 0.10564 0.00000 0.00000 0.52893 0.00000
|
|
21 11PZ 0.00000 0.21423 0.26168 0.00000 0.04742
|
|
22 12D 0 0.19085 0.00000 0.00000 0.10556 0.00000
|
|
23 12D+1 0.00000 0.12743 0.12299 0.00000 0.62191
|
|
24 12D-1 0.00000 -0.18547 -0.18377 0.00000 -0.76557
|
|
25 12D+2 -0.01809 0.00000 0.00000 0.25858 0.00000
|
|
26 12D-2 -0.28638 0.00000 0.00000 0.09271 0.00000
|
|
27 13D 0 -0.06762 0.00000 0.00000 -0.53013 0.00000
|
|
28 13D+1 0.00000 0.03488 0.03458 0.00000 -0.61477
|
|
29 13D-1 0.00000 0.04381 0.03772 0.00000 1.02197
|
|
30 13D+2 -0.36088 0.00000 0.00000 -0.91606 0.00000
|
|
31 13D-2 0.14453 0.00000 0.00000 -0.05166 0.00000
|
|
32 14D 0 0.30601 0.00000 0.00000 3.35018 0.00000
|
|
33 14D+1 0.00000 -0.59764 -0.62885 0.00000 -0.74882
|
|
34 14D-1 0.00000 0.35913 0.37450 0.00000 0.31633
|
|
35 14D+2 2.09033 0.00000 0.00000 5.45181 0.00000
|
|
36 14D-2 0.08957 0.00000 0.00000 0.05804 0.00000
|
|
37 15D 0 0.01505 0.00000 0.00000 1.40429 0.00000
|
|
38 15D+1 0.00000 -0.06134 -0.18364 0.00000 0.03804
|
|
39 15D-1 0.00000 -0.04520 -0.09290 0.00000 -0.13289
|
|
40 15D+2 0.74770 0.00000 0.00000 2.17872 0.00000
|
|
41 15D-2 -0.27485 0.00000 0.00000 0.09800 0.00000
|
|
42 16F 0 0.00000 -1.45812 0.28158 0.00000 0.37462
|
|
43 16F+1 -0.40268 0.00000 0.00000 -0.00532 0.00000
|
|
44 16F-1 0.45256 0.00000 0.00000 0.17722 0.00000
|
|
45 16F+2 0.00000 0.05642 -1.44803 0.00000 0.40366
|
|
46 16F-2 0.00000 0.40148 0.23439 0.00000 0.01651
|
|
47 16F+3 -0.96693 0.00000 0.00000 0.40722 0.00000
|
|
48 16F-3 -0.38586 0.00000 0.00000 0.48276 0.00000
|
|
49 17F 0 0.00000 4.39506 -1.37664 0.00000 -1.00422
|
|
50 17F+1 0.84613 0.00000 0.00000 -0.02870 0.00000
|
|
51 17F-1 -1.40367 0.00000 0.00000 -0.55206 0.00000
|
|
52 17F+2 0.00000 -0.68802 4.19214 0.00000 -0.99803
|
|
53 17F-2 0.00000 -1.21109 -0.69597 0.00000 0.17080
|
|
54 17F+3 2.44224 0.00000 0.00000 -1.01412 0.00000
|
|
55 17F-3 0.93148 0.00000 0.00000 -1.58672 0.00000
|
|
56 18F 0 0.00000 1.26536 -0.29393 0.00000 -0.17905
|
|
57 18F+1 0.08336 0.00000 0.00000 0.27906 0.00000
|
|
58 18F-1 -0.44299 0.00000 0.00000 -0.43222 0.00000
|
|
59 18F+2 0.00000 -0.09535 1.20383 0.00000 -0.42034
|
|
60 18F-2 0.00000 -0.39622 -0.30677 0.00000 0.12518
|
|
61 18F+3 0.72104 0.00000 0.00000 -0.29463 0.00000
|
|
62 18F-3 0.13822 0.00000 0.00000 -1.15163 0.00000
|
|
63 19G 0 0.00086 0.00000 0.00000 -0.16353 0.00000
|
|
64 19G+1 0.00000 0.17812 0.27593 0.00000 -0.07807
|
|
65 19G-1 0.00000 0.31336 -0.33889 0.00000 -0.01399
|
|
66 19G+2 0.21152 0.00000 0.00000 -0.26859 0.00000
|
|
67 19G-2 0.02367 0.00000 0.00000 0.05158 0.00000
|
|
68 19G+3 0.00000 0.23382 0.11732 0.00000 -0.07036
|
|
69 19G-3 0.00000 -0.38470 0.33155 0.00000 -0.00887
|
|
70 19G+4 -0.35607 0.00000 0.00000 -0.15876 0.00000
|
|
71 19G-4 -0.10256 0.00000 0.00000 -0.02415 0.00000
|
|
72 20G 0 -0.45577 0.00000 0.00000 -0.26977 0.00000
|
|
73 20G+1 0.00000 0.42537 0.57356 0.00000 -0.02636
|
|
74 20G-1 0.00000 0.33905 -1.11487 0.00000 0.13558
|
|
75 20G+2 0.21301 0.00000 0.00000 -0.95317 0.00000
|
|
76 20G-2 0.00498 0.00000 0.00000 0.33851 0.00000
|
|
77 20G+3 0.00000 0.19140 -0.14364 0.00000 -0.30544
|
|
78 20G-3 0.00000 -1.18811 0.29572 0.00000 0.17011
|
|
79 20G+4 -0.47754 0.00000 0.00000 -0.71604 0.00000
|
|
80 20G-4 -0.99379 0.00000 0.00000 0.04591 0.00000
|
|
81 21H 0 0.00000 0.03021 0.01921 0.00000 0.07293
|
|
82 21H+1 -0.22704 0.00000 0.00000 -0.02228 0.00000
|
|
83 21H-1 -0.02137 0.00000 0.00000 0.20274 0.00000
|
|
84 21H+2 0.00000 -0.19727 -0.22215 0.00000 -0.01476
|
|
85 21H-2 0.00000 -0.01998 -0.02504 0.00000 -0.06927
|
|
86 21H+3 -0.05707 0.00000 0.00000 -0.11067 0.00000
|
|
87 21H-3 0.01613 0.00000 0.00000 0.14088 0.00000
|
|
88 21H+4 0.00000 -0.04968 -0.04869 0.00000 0.05065
|
|
89 21H-4 0.00000 -0.06361 -0.05745 0.00000 -0.11590
|
|
90 21H+5 -0.17082 0.00000 0.00000 0.07968 0.00000
|
|
91 21H-5 0.27724 0.00000 0.00000 0.22381 0.00000
|
|
92 2 O 1S -0.01021 0.00000 0.00000 -0.05996 0.00000
|
|
93 2S 0.26518 0.00000 0.00000 1.04813 0.00000
|
|
94 3S 1.15115 0.00000 0.00000 4.48527 0.00000
|
|
95 4S -2.44532 0.00000 0.00000 -10.31153 0.00000
|
|
96 5S 0.33465 0.00000 0.00000 8.86728 0.00000
|
|
97 6S 2.91767 0.00000 0.00000 10.62215 0.00000
|
|
98 7PX -0.11408 0.00000 0.00000 0.00093 0.00000
|
|
99 7PY -0.03544 0.00000 0.00000 -0.15983 0.00000
|
|
100 7PZ 0.00000 -0.08341 -0.08882 0.00000 0.02625
|
|
101 8PX 0.00329 0.00000 0.00000 0.19754 0.00000
|
|
102 8PY -0.24959 0.00000 0.00000 -0.63941 0.00000
|
|
103 8PZ 0.00000 -0.03618 -0.03339 0.00000 0.01109
|
|
104 9PX -1.03526 0.00000 0.00000 -3.64847 0.00000
|
|
105 9PY 1.13404 0.00000 0.00000 3.43569 0.00000
|
|
106 9PZ 0.00000 0.06470 0.01111 0.00000 0.02794
|
|
107 10PX -0.34754 0.00000 0.00000 0.33897 0.00000
|
|
108 10PY 5.04686 0.00000 0.00000 9.44365 0.00000
|
|
109 10PZ 0.00000 0.85840 0.82384 0.00000 -0.82913
|
|
110 11PX -0.02717 0.00000 0.00000 -0.29788 0.00000
|
|
111 11PY 0.63408 0.00000 0.00000 1.66393 0.00000
|
|
112 11PZ 0.00000 -0.04022 -0.08283 0.00000 -0.08814
|
|
113 12D 0 -0.01439 0.00000 0.00000 -0.03242 0.00000
|
|
114 12D+1 0.00000 -0.00172 -0.00327 0.00000 0.00258
|
|
115 12D-1 0.00000 0.02324 0.02629 0.00000 -0.00310
|
|
116 12D+2 -0.00390 0.00000 0.00000 -0.04020 0.00000
|
|
117 12D-2 0.02441 0.00000 0.00000 -0.01988 0.00000
|
|
118 13D 0 0.18990 0.00000 0.00000 0.51879 0.00000
|
|
119 13D+1 0.00000 0.08516 0.11480 0.00000 -0.02330
|
|
120 13D-1 0.00000 -0.44505 -0.51539 0.00000 0.16473
|
|
121 13D+2 0.14431 0.00000 0.00000 0.38568 0.00000
|
|
122 13D-2 -0.48379 0.00000 0.00000 0.45118 0.00000
|
|
123 14D 0 -0.21492 0.00000 0.00000 -1.12310 0.00000
|
|
124 14D+1 0.00000 -0.30180 -0.43122 0.00000 0.06219
|
|
125 14D-1 0.00000 1.07525 1.26468 0.00000 -0.42764
|
|
126 14D+2 -1.10239 0.00000 0.00000 -3.33284 0.00000
|
|
127 14D-2 1.63563 0.00000 0.00000 -0.55793 0.00000
|
|
128 15D 0 -0.48026 0.00000 0.00000 -1.96791 0.00000
|
|
129 15D+1 0.00000 -0.17170 -0.32097 0.00000 0.02276
|
|
130 15D-1 0.00000 0.75375 0.87044 0.00000 -0.72758
|
|
131 15D+2 -1.62408 0.00000 0.00000 -2.51908 0.00000
|
|
132 15D-2 1.34321 0.00000 0.00000 -0.82801 0.00000
|
|
133 16F 0 0.00000 -0.00719 -0.00921 0.00000 -0.00866
|
|
134 16F+1 -0.00742 0.00000 0.00000 0.01037 0.00000
|
|
135 16F-1 0.01522 0.00000 0.00000 0.02517 0.00000
|
|
136 16F+2 0.00000 -0.00658 -0.00796 0.00000 -0.01137
|
|
137 16F-2 0.00000 -0.00085 -0.00098 0.00000 0.00807
|
|
138 16F+3 -0.01334 0.00000 0.00000 0.00297 0.00000
|
|
139 16F-3 -0.00189 0.00000 0.00000 0.04698 0.00000
|
|
140 17F 0 0.00000 -0.09825 -0.11800 0.00000 -0.01211
|
|
141 17F+1 -0.01646 0.00000 0.00000 0.19208 0.00000
|
|
142 17F-1 -0.07466 0.00000 0.00000 -0.30629 0.00000
|
|
143 17F+2 0.00000 -0.23306 -0.27468 0.00000 0.04389
|
|
144 17F-2 0.00000 0.05602 0.07260 0.00000 0.04458
|
|
145 17F+3 -0.31406 0.00000 0.00000 -0.15439 0.00000
|
|
146 17F-3 -0.02685 0.00000 0.00000 -0.33695 0.00000
|
|
147 18F 0 0.00000 -0.32111 -0.34573 0.00000 0.28204
|
|
148 18F+1 -0.14552 0.00000 0.00000 -0.27664 0.00000
|
|
149 18F-1 -0.42017 0.00000 0.00000 -0.46333 0.00000
|
|
150 18F+2 0.00000 -0.66385 -0.79891 0.00000 0.38420
|
|
151 18F-2 0.00000 0.03629 0.02223 0.00000 -0.09810
|
|
152 18F+3 -0.85066 0.00000 0.00000 0.14035 0.00000
|
|
153 18F-3 -0.22657 0.00000 0.00000 -1.40019 0.00000
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|
154 19G 0 -0.00287 0.00000 0.00000 -0.01281 0.00000
|
|
155 19G+1 0.00000 -0.00152 -0.00119 0.00000 0.01370
|
|
156 19G-1 0.00000 0.02422 0.02598 0.00000 -0.00240
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|
157 19G+2 -0.00500 0.00000 0.00000 -0.01532 0.00000
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|
158 19G-2 0.01024 0.00000 0.00000 -0.00696 0.00000
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|
159 19G+3 0.00000 -0.00466 -0.00288 0.00000 -0.01487
|
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160 19G-3 0.00000 0.01490 0.01806 0.00000 -0.02116
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161 19G+4 -0.02704 0.00000 0.00000 -0.01791 0.00000
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162 19G-4 0.04603 0.00000 0.00000 0.00252 0.00000
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163 20G 0 0.06862 0.00000 0.00000 0.14339 0.00000
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164 20G+1 0.00000 0.05367 0.06908 0.00000 -0.07162
|
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165 20G-1 0.00000 -0.30426 -0.37537 0.00000 0.13593
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166 20G+2 0.08703 0.00000 0.00000 0.07467 0.00000
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167 20G-2 -0.14591 0.00000 0.00000 0.13966 0.00000
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168 20G+3 0.00000 -0.02937 -0.04271 0.00000 -0.03601
|
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169 20G-3 0.00000 -0.24671 -0.25628 0.00000 0.14071
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170 20G+4 0.10532 0.00000 0.00000 0.06068 0.00000
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171 20G-4 -0.48256 0.00000 0.00000 -0.03403 0.00000
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172 21H 0 0.00000 -0.01603 -0.03059 0.00000 -0.14227
|
|
173 21H+1 0.00018 0.00000 0.00000 0.01501 0.00000
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174 21H-1 0.03258 0.00000 0.00000 0.03191 0.00000
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175 21H+2 0.00000 -0.03813 -0.04646 0.00000 0.03863
|
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176 21H-2 0.00000 0.01415 0.01397 0.00000 0.03094
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177 21H+3 -0.06707 0.00000 0.00000 -0.01501 0.00000
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178 21H-3 -0.01445 0.00000 0.00000 0.05696 0.00000
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179 21H+4 0.00000 -0.04546 -0.03035 0.00000 -0.04964
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180 21H-4 0.00000 0.00331 0.00284 0.00000 -0.10158
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181 21H+5 -0.08285 0.00000 0.00000 0.04962 0.00000
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182 21H-5 -0.01789 0.00000 0.00000 0.05532 0.00000
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183 3 H 1S -0.02067 0.00000 0.00000 -0.04612 0.00000
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184 2S -0.94656 0.00000 0.00000 -0.02364 0.00000
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185 3S 0.96348 0.00000 0.00000 -2.44062 0.00000
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186 4S -0.44308 0.00000 0.00000 -2.00796 0.00000
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187 5S 0.26527 0.00000 0.00000 -0.00635 0.00000
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188 6PX 0.07068 0.00000 0.00000 0.02393 0.00000
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189 6PY -0.03309 0.00000 0.00000 -0.00163 0.00000
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190 6PZ 0.00000 0.00609 -0.01570 0.00000 -0.01437
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191 7PX -0.50701 0.00000 0.00000 -0.06693 0.00000
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192 7PY 0.34219 0.00000 0.00000 0.02106 0.00000
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193 7PZ 0.00000 -0.10013 0.17287 0.00000 0.04779
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194 8PX 0.49752 0.00000 0.00000 -0.99710 0.00000
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195 8PY -2.60389 0.00000 0.00000 0.38934 0.00000
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196 8PZ 0.00000 1.50469 -3.32244 0.00000 -0.51284
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197 9PX 0.03141 0.00000 0.00000 -0.89789 0.00000
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198 9PY -0.94072 0.00000 0.00000 0.20151 0.00000
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199 9PZ 0.00000 0.48474 -0.96607 0.00000 -0.08199
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200 10D 0 0.04007 0.00000 0.00000 0.00100 0.00000
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201 10D+1 0.00000 0.02023 0.03575 0.00000 0.03798
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202 10D-1 0.00000 -0.01694 0.04504 0.00000 -0.01763
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203 10D+2 -0.05417 0.00000 0.00000 -0.00470 0.00000
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204 10D-2 -0.00079 0.00000 0.00000 0.04327 0.00000
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205 11D 0 -0.21664 0.00000 0.00000 0.02960 0.00000
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206 11D+1 0.00000 0.53768 -1.25411 0.00000 -0.23487
|
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207 11D-1 0.00000 -0.12975 0.39450 0.00000 0.06827
|
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208 11D+2 -0.25043 0.00000 0.00000 0.03649 0.00000
|
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209 11D-2 -0.78287 0.00000 0.00000 -0.00780 0.00000
|
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210 12D 0 -0.43241 0.00000 0.00000 0.11180 0.00000
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211 12D+1 0.00000 0.84776 -1.78461 0.00000 -0.31908
|
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212 12D-1 0.00000 -0.19738 0.63569 0.00000 0.13253
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213 12D+2 -0.39103 0.00000 0.00000 -0.16104 0.00000
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214 12D-2 -1.43706 0.00000 0.00000 0.06192 0.00000
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215 13F 0 0.00000 -0.03472 -0.10318 0.00000 -0.12491
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216 13F+1 0.13513 0.00000 0.00000 0.01351 0.00000
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217 13F-1 -0.07321 0.00000 0.00000 -0.00134 0.00000
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218 13F+2 0.00000 -0.02656 0.12627 0.00000 0.25005
|
|
219 13F-2 0.00000 -0.00022 0.02429 0.00000 -0.00907
|
|
220 13F+3 -0.09663 0.00000 0.00000 0.01485 0.00000
|
|
221 13F-3 0.11639 0.00000 0.00000 0.17130 0.00000
|
|
222 14F 0 0.00000 -0.26818 0.70572 0.00000 0.20510
|
|
223 14F+1 -0.25711 0.00000 0.00000 -0.06454 0.00000
|
|
224 14F-1 0.26155 0.00000 0.00000 0.01390 0.00000
|
|
225 14F+2 0.00000 0.34892 -0.71296 0.00000 -0.27752
|
|
226 14F-2 0.00000 -0.18838 0.54258 0.00000 0.11666
|
|
227 14F+3 -0.36767 0.00000 0.00000 0.03546 0.00000
|
|
228 14F-3 -0.62169 0.00000 0.00000 -0.15393 0.00000
|
|
229 15G 0 0.00298 0.00000 0.00000 -0.02790 0.00000
|
|
230 15G+1 0.00000 -0.10058 0.06702 0.00000 -0.01103
|
|
231 15G-1 0.00000 0.08959 -0.09771 0.00000 0.06658
|
|
232 15G+2 0.07819 0.00000 0.00000 -0.04580 0.00000
|
|
233 15G-2 0.01150 0.00000 0.00000 -0.00298 0.00000
|
|
234 15G+3 0.00000 0.01295 -0.01255 0.00000 0.11216
|
|
235 15G-3 0.00000 -0.03430 0.11423 0.00000 -0.01602
|
|
236 15G+4 -0.12501 0.00000 0.00000 0.03868 0.00000
|
|
237 15G-4 -0.05487 0.00000 0.00000 0.04242 0.00000
|
|
238 4 H 1S 0.16701 0.00000 0.00000 0.25898 0.00000
|
|
239 2S -0.76339 0.00000 0.00000 -2.01658 0.00000
|
|
240 3S 4.38342 0.00000 0.00000 3.96624 0.00000
|
|
241 4S 0.61611 0.00000 0.00000 1.07935 0.00000
|
|
242 5S 0.16118 0.00000 0.00000 0.51982 0.00000
|
|
243 6PX 0.02182 0.00000 0.00000 -0.01622 0.00000
|
|
244 6PY -0.02974 0.00000 0.00000 0.01601 0.00000
|
|
245 6PZ 0.00000 0.00367 0.00225 0.00000 -0.00854
|
|
246 7PX 0.20700 0.00000 0.00000 0.51192 0.00000
|
|
247 7PY 0.10030 0.00000 0.00000 -0.23064 0.00000
|
|
248 7PZ 0.00000 -0.02426 -0.04037 0.00000 0.01129
|
|
249 8PX -2.36672 0.00000 0.00000 -3.31526 0.00000
|
|
250 8PY 0.36272 0.00000 0.00000 2.02545 0.00000
|
|
251 8PZ 0.00000 0.41845 0.59493 0.00000 -0.11010
|
|
252 9PX -0.97747 0.00000 0.00000 -1.27339 0.00000
|
|
253 9PY 0.03583 0.00000 0.00000 0.87734 0.00000
|
|
254 9PZ 0.00000 0.11082 0.28244 0.00000 -0.00160
|
|
255 10D 0 -0.00638 0.00000 0.00000 0.05179 0.00000
|
|
256 10D+1 0.00000 -0.00988 -0.00678 0.00000 0.02336
|
|
257 10D-1 0.00000 -0.02538 -0.02962 0.00000 -0.10094
|
|
258 10D+2 0.07530 0.00000 0.00000 -0.11713 0.00000
|
|
259 10D-2 0.08035 0.00000 0.00000 0.03526 0.00000
|
|
260 11D 0 -0.23111 0.00000 0.00000 -0.57230 0.00000
|
|
261 11D+1 0.00000 -0.13442 -0.18845 0.00000 0.01722
|
|
262 11D-1 0.00000 0.09535 0.09083 0.00000 0.06812
|
|
263 11D+2 0.28701 0.00000 0.00000 0.68647 0.00000
|
|
264 11D-2 -0.24413 0.00000 0.00000 -0.90644 0.00000
|
|
265 12D 0 -0.30212 0.00000 0.00000 -0.93819 0.00000
|
|
266 12D+1 0.00000 -0.22062 -0.37125 0.00000 0.07292
|
|
267 12D-1 0.00000 0.05797 0.16688 0.00000 0.04836
|
|
268 12D+2 0.74117 0.00000 0.00000 0.95500 0.00000
|
|
269 12D-2 -0.22922 0.00000 0.00000 -1.40993 0.00000
|
|
270 13F 0 0.00000 0.03036 0.01919 0.00000 0.35582
|
|
271 13F+1 0.01319 0.00000 0.00000 -0.04080 0.00000
|
|
272 13F-1 -0.19984 0.00000 0.00000 0.03608 0.00000
|
|
273 13F+2 0.00000 0.05111 0.01165 0.00000 0.33808
|
|
274 13F-2 0.00000 0.04139 0.01315 0.00000 0.01681
|
|
275 13F+3 -0.07307 0.00000 0.00000 0.12562 0.00000
|
|
276 13F-3 -0.03507 0.00000 0.00000 -0.18267 0.00000
|
|
277 14F 0 0.00000 -0.08020 -0.12718 0.00000 -0.15580
|
|
278 14F+1 0.17049 0.00000 0.00000 0.55150 0.00000
|
|
279 14F-1 0.06986 0.00000 0.00000 -0.28995 0.00000
|
|
280 14F+2 0.00000 0.07151 0.11408 0.00000 -0.20630
|
|
281 14F-2 0.00000 -0.09577 -0.13335 0.00000 -0.03155
|
|
282 14F+3 -0.14820 0.00000 0.00000 -0.26440 0.00000
|
|
283 14F-3 0.16208 0.00000 0.00000 0.93043 0.00000
|
|
284 15G 0 -0.00441 0.00000 0.00000 -0.01277 0.00000
|
|
285 15G+1 0.00000 0.01208 0.00206 0.00000 -0.14413
|
|
286 15G-1 0.00000 -0.07948 -0.04461 0.00000 0.08022
|
|
287 15G+2 0.00424 0.00000 0.00000 -0.09033 0.00000
|
|
288 15G-2 0.14379 0.00000 0.00000 0.04470 0.00000
|
|
289 15G+3 0.00000 -0.01457 -0.03390 0.00000 -0.11780
|
|
290 15G-3 0.00000 -0.03014 -0.01102 0.00000 0.13087
|
|
291 15G+4 0.09190 0.00000 0.00000 -0.02500 0.00000
|
|
292 15G-4 -0.00066 0.00000 0.00000 -0.09475 0.00000
|
|
293 5 H 1S -0.01220 0.00155 0.00419 -0.04150 -0.00854
|
|
294 2S 0.11165 0.29120 0.34578 -0.13542 0.17076
|
|
295 3S -0.55321 -0.49487 -0.51550 -2.02028 -0.64540
|
|
296 4S -0.31200 0.07375 0.18865 -0.70396 -0.50811
|
|
297 5S -0.12446 -0.17701 -0.23288 0.06085 -0.00394
|
|
298 6PX -0.00566 0.01942 0.00049 -0.00982 0.00706
|
|
299 6PY 0.00695 0.01688 0.01892 -0.01625 0.00166
|
|
300 6PZ 0.00458 0.00761 0.02065 -0.02281 0.02017
|
|
301 7PX 0.02525 -0.20970 0.02610 0.02107 -0.11676
|
|
302 7PY -0.08933 -0.18881 -0.20731 0.13380 0.04793
|
|
303 7PZ -0.07799 -0.02313 -0.19423 0.09882 -0.11427
|
|
304 8PX -0.81392 2.52525 -1.45029 0.92881 0.58561
|
|
305 8PY 0.56597 1.39737 1.33065 -0.63343 -0.73125
|
|
306 8PZ 0.75518 -1.38133 0.93215 0.63520 0.57020
|
|
307 9PX -0.21555 0.70086 -0.46688 0.41434 0.23962
|
|
308 9PY 0.24758 0.44988 0.43095 -0.36469 -0.09355
|
|
309 9PZ 0.33113 -0.42822 0.25241 0.21502 0.29939
|
|
310 10D 0 0.04873 0.01770 0.03078 -0.00925 -0.02495
|
|
311 10D+1 -0.00475 0.03740 0.03760 -0.00250 -0.00640
|
|
312 10D-1 -0.01720 0.00517 -0.02054 -0.01247 0.00914
|
|
313 10D+2 0.01665 0.03941 0.03284 0.00349 0.01267
|
|
314 10D-2 -0.00469 -0.03691 0.00708 -0.02150 0.01063
|
|
315 11D 0 -0.25293 0.90539 -0.32138 -0.03772 -0.13308
|
|
316 11D+1 0.24009 -0.52482 0.34591 -0.16657 -0.16157
|
|
317 11D-1 -0.18615 -0.10753 -0.39738 0.24361 0.21072
|
|
318 11D+2 0.24022 -0.23598 0.43754 -0.21845 -0.17483
|
|
319 11D-2 0.11959 -0.54486 0.04929 0.04474 0.08593
|
|
320 12D 0 -0.33825 1.34623 -0.48533 -0.10725 -0.30494
|
|
321 12D+1 0.27546 -0.75618 0.51827 -0.30918 -0.39968
|
|
322 12D-1 -0.48463 -0.28399 -0.78624 0.48327 0.34359
|
|
323 12D+2 0.34026 -0.26437 0.73547 -0.45986 -0.29270
|
|
324 12D-2 0.17499 -0.92058 -0.00965 0.11938 0.05806
|
|
325 13F 0 -0.13246 0.08475 -0.05767 -0.01230 0.03492
|
|
326 13F+1 -0.01386 -0.07267 -0.05842 0.00404 -0.11658
|
|
327 13F-1 0.00290 -0.02603 -0.04214 0.10688 0.05174
|
|
328 13F+2 -0.00296 -0.08526 -0.03243 -0.06684 -0.17567
|
|
329 13F-2 -0.00057 -0.05672 -0.05892 0.07521 0.06946
|
|
330 13F+3 0.00440 -0.04928 0.02502 -0.04282 -0.11863
|
|
331 13F-3 0.01883 0.00303 0.03193 0.04615 -0.09789
|
|
332 14F 0 0.18859 -0.83155 0.23551 0.07207 0.12183
|
|
333 14F+1 -0.06222 0.01152 -0.08392 0.03580 0.27354
|
|
334 14F-1 0.23834 -0.21410 0.38627 -0.25234 -0.15469
|
|
335 14F+2 -0.28885 0.24508 -0.47710 0.29730 0.33928
|
|
336 14F-2 -0.08431 0.52696 0.04972 -0.15845 -0.10388
|
|
337 14F+3 -0.02015 -0.11547 -0.18487 0.14142 0.14912
|
|
338 14F-3 -0.14527 0.28308 -0.17984 0.03822 0.07003
|
|
339 15G 0 0.04086 0.05470 -0.00502 -0.00636 -0.05313
|
|
340 15G+1 0.04075 0.08127 0.02081 -0.01673 0.00851
|
|
341 15G-1 -0.02294 0.08098 -0.05634 0.00456 0.02628
|
|
342 15G+2 0.03103 0.00211 0.11720 -0.00542 0.01674
|
|
343 15G-2 0.00818 0.00756 0.01465 -0.02049 -0.08770
|
|
344 15G+3 0.02599 0.08408 0.04591 -0.00711 -0.04187
|
|
345 15G-3 0.01059 -0.10478 0.07444 -0.02141 0.09004
|
|
346 15G+4 -0.01442 0.02446 -0.00858 0.01209 0.03465
|
|
347 15G-4 0.01633 0.00506 -0.05199 0.00197 0.05458
|
|
348 6 H 1S -0.01220 -0.00155 -0.00419 -0.04150 0.00854
|
|
349 2S 0.11165 -0.29120 -0.34578 -0.13542 -0.17076
|
|
350 3S -0.55321 0.49487 0.51550 -2.02028 0.64540
|
|
351 4S -0.31200 -0.07375 -0.18865 -0.70396 0.50811
|
|
352 5S -0.12446 0.17701 0.23288 0.06085 0.00394
|
|
353 6PX -0.00566 -0.01942 -0.00049 -0.00982 -0.00706
|
|
354 6PY 0.00695 -0.01688 -0.01892 -0.01625 -0.00166
|
|
355 6PZ -0.00458 0.00761 0.02065 0.02281 0.02017
|
|
356 7PX 0.02525 0.20970 -0.02610 0.02107 0.11676
|
|
357 7PY -0.08933 0.18881 0.20731 0.13380 -0.04793
|
|
358 7PZ 0.07799 -0.02313 -0.19423 -0.09882 -0.11427
|
|
359 8PX -0.81392 -2.52525 1.45029 0.92881 -0.58561
|
|
360 8PY 0.56597 -1.39737 -1.33065 -0.63343 0.73125
|
|
361 8PZ -0.75518 -1.38133 0.93215 -0.63520 0.57020
|
|
362 9PX -0.21555 -0.70086 0.46688 0.41434 -0.23962
|
|
363 9PY 0.24758 -0.44988 -0.43095 -0.36469 0.09355
|
|
364 9PZ -0.33113 -0.42822 0.25241 -0.21502 0.29939
|
|
365 10D 0 0.04873 -0.01770 -0.03078 -0.00925 0.02495
|
|
366 10D+1 0.00475 0.03740 0.03760 0.00250 -0.00640
|
|
367 10D-1 0.01720 0.00517 -0.02054 0.01247 0.00914
|
|
368 10D+2 0.01665 -0.03941 -0.03284 0.00349 -0.01267
|
|
369 10D-2 -0.00469 0.03691 -0.00708 -0.02150 -0.01063
|
|
370 11D 0 -0.25293 -0.90539 0.32138 -0.03772 0.13308
|
|
371 11D+1 -0.24009 -0.52482 0.34591 0.16657 -0.16157
|
|
372 11D-1 0.18615 -0.10753 -0.39738 -0.24361 0.21072
|
|
373 11D+2 0.24022 0.23598 -0.43754 -0.21845 0.17483
|
|
374 11D-2 0.11959 0.54486 -0.04929 0.04474 -0.08593
|
|
375 12D 0 -0.33825 -1.34623 0.48533 -0.10725 0.30494
|
|
376 12D+1 -0.27546 -0.75618 0.51827 0.30918 -0.39968
|
|
377 12D-1 0.48463 -0.28399 -0.78624 -0.48327 0.34359
|
|
378 12D+2 0.34026 0.26437 -0.73547 -0.45986 0.29270
|
|
379 12D-2 0.17499 0.92058 0.00965 0.11938 -0.05806
|
|
380 13F 0 0.13246 0.08475 -0.05767 0.01230 0.03492
|
|
381 13F+1 -0.01386 0.07267 0.05842 0.00404 0.11658
|
|
382 13F-1 0.00290 0.02603 0.04214 0.10688 -0.05174
|
|
383 13F+2 0.00296 -0.08526 -0.03243 0.06684 -0.17567
|
|
384 13F-2 0.00057 -0.05672 -0.05892 -0.07521 0.06946
|
|
385 13F+3 0.00440 0.04928 -0.02502 -0.04282 0.11863
|
|
386 13F-3 0.01883 -0.00303 -0.03193 0.04615 0.09789
|
|
387 14F 0 -0.18859 -0.83155 0.23551 -0.07207 0.12183
|
|
388 14F+1 -0.06222 -0.01152 0.08392 0.03580 -0.27354
|
|
389 14F-1 0.23834 0.21410 -0.38627 -0.25234 0.15469
|
|
390 14F+2 0.28885 0.24508 -0.47710 -0.29730 0.33928
|
|
391 14F-2 0.08431 0.52696 0.04972 0.15845 -0.10388
|
|
392 14F+3 -0.02015 0.11547 0.18487 0.14142 -0.14912
|
|
393 14F-3 -0.14527 -0.28308 0.17984 0.03822 -0.07003
|
|
394 15G 0 0.04086 -0.05470 0.00502 -0.00636 0.05313
|
|
395 15G+1 -0.04075 0.08127 0.02081 0.01673 0.00851
|
|
396 15G-1 0.02294 0.08098 -0.05634 -0.00456 0.02628
|
|
397 15G+2 0.03103 -0.00211 -0.11720 -0.00542 -0.01674
|
|
398 15G-2 0.00818 -0.00756 -0.01465 -0.02049 0.08770
|
|
399 15G+3 -0.02599 0.08408 0.04591 0.00711 -0.04187
|
|
400 15G-3 -0.01059 -0.10478 0.07444 0.02141 0.09004
|
|
401 15G+4 -0.01442 -0.02446 0.00858 0.01209 -0.03465
|
|
402 15G-4 0.01633 -0.00506 0.05199 0.00197 -0.05458
|
|
261 262 263 264 265
|
|
V V V V V
|
|
Eigenvalues -- 12.48614 12.48644 12.51854 12.62829 12.66968
|
|
1 1 C 1S 0.00000 0.00252 0.00210 0.00000 0.00000
|
|
2 2S 0.00000 -0.03016 -0.00885 0.00000 0.00000
|
|
3 3S 0.00000 -0.21952 -0.07183 0.00000 0.00000
|
|
4 4S 0.00000 0.67216 0.08432 0.00000 0.00000
|
|
5 5S 0.00000 -0.02688 1.12870 0.00000 0.00000
|
|
6 6S 0.00000 -0.26531 -0.03703 0.00000 0.00000
|
|
7 7PX 0.00000 0.18972 0.09592 0.00000 0.00000
|
|
8 7PY 0.00000 0.00233 0.01034 0.00000 0.00000
|
|
9 7PZ 0.11986 0.00000 0.00000 0.00867 0.17229
|
|
10 8PX 0.00000 -0.73173 -0.47640 0.00000 0.00000
|
|
11 8PY 0.00000 0.06351 -0.09147 0.00000 0.00000
|
|
12 8PZ -0.53899 0.00000 0.00000 -0.11194 -0.55331
|
|
13 9PX 0.00000 1.63471 1.82411 0.00000 0.00000
|
|
14 9PY 0.00000 -0.37220 0.24302 0.00000 0.00000
|
|
15 9PZ 1.75586 0.00000 0.00000 0.93813 -0.47291
|
|
16 10PX 0.00000 1.19028 1.45463 0.00000 0.00000
|
|
17 10PY 0.00000 0.00372 1.00032 0.00000 0.00000
|
|
18 10PZ 1.41952 0.00000 0.00000 0.85442 -0.35802
|
|
19 11PX 0.00000 -0.03314 -0.03234 0.00000 0.00000
|
|
20 11PY 0.00000 0.01907 0.04288 0.00000 0.00000
|
|
21 11PZ -0.00565 0.00000 0.00000 0.04501 -0.08300
|
|
22 12D 0 0.00000 0.56658 0.04279 0.00000 0.00000
|
|
23 12D+1 0.30643 0.00000 0.00000 -0.03105 0.32341
|
|
24 12D-1 -0.45088 0.00000 0.00000 -0.05900 -0.02742
|
|
25 12D+2 0.00000 -0.27089 -0.05817 0.00000 0.00000
|
|
26 12D-2 0.00000 -0.92836 -0.10452 0.00000 0.00000
|
|
27 13D 0 0.00000 -0.65997 -0.05775 0.00000 0.00000
|
|
28 13D+1 -0.35719 0.00000 0.00000 0.03952 -0.52502
|
|
29 13D-1 0.60703 0.00000 0.00000 0.11786 -0.09226
|
|
30 13D+2 0.00000 0.32637 0.01965 0.00000 0.00000
|
|
31 13D-2 0.00000 1.15954 0.24594 0.00000 0.00000
|
|
32 14D 0 0.00000 -0.45352 0.60921 0.00000 0.00000
|
|
33 14D+1 -0.32019 0.00000 0.00000 0.36757 -0.30447
|
|
34 14D-1 -0.08122 0.00000 0.00000 0.08755 -0.24193
|
|
35 14D+2 0.00000 0.38536 0.24026 0.00000 0.00000
|
|
36 14D-2 0.00000 0.31034 -0.08207 0.00000 0.00000
|
|
37 15D 0 0.00000 0.37818 0.49364 0.00000 0.00000
|
|
38 15D+1 0.22358 0.00000 0.00000 0.26975 -0.12805
|
|
39 15D-1 -0.03720 0.00000 0.00000 -0.03429 -0.06720
|
|
40 15D+2 0.00000 -0.14835 0.02701 0.00000 0.00000
|
|
41 15D-2 0.00000 -0.29098 0.12404 0.00000 0.00000
|
|
42 16F 0 0.20356 0.00000 0.00000 0.03671 -0.02123
|
|
43 16F+1 0.00000 0.13862 0.01953 0.00000 0.00000
|
|
44 16F-1 0.00000 0.02381 -0.03376 0.00000 0.00000
|
|
45 16F+2 0.21656 0.00000 0.00000 0.04334 -0.03524
|
|
46 16F-2 0.06612 0.00000 0.00000 0.00294 0.08336
|
|
47 16F+3 0.00000 0.53270 0.24479 0.00000 0.00000
|
|
48 16F-3 0.00000 0.13781 0.11949 0.00000 0.00000
|
|
49 17F 0 -0.45756 0.00000 0.00000 -0.16172 0.17518
|
|
50 17F+1 0.00000 -0.27994 -0.02141 0.00000 0.00000
|
|
51 17F-1 0.00000 0.13435 0.16375 0.00000 0.00000
|
|
52 17F+2 -0.45168 0.00000 0.00000 -0.04870 0.22392
|
|
53 17F-2 -0.05258 0.00000 0.00000 0.06607 -0.30449
|
|
54 17F+3 0.00000 -1.28784 -0.64789 0.00000 0.00000
|
|
55 17F-3 0.00000 -0.42082 -0.33894 0.00000 0.00000
|
|
56 18F 0 -0.32583 0.00000 0.00000 0.19764 -0.11197
|
|
57 18F+1 0.00000 -0.10462 0.04529 0.00000 0.00000
|
|
58 18F-1 0.00000 0.02879 0.00003 0.00000 0.00000
|
|
59 18F+2 -0.22198 0.00000 0.00000 -0.21737 -0.10083
|
|
60 18F-2 0.02146 0.00000 0.00000 -0.07062 0.04237
|
|
61 18F+3 0.00000 -0.56800 -0.09519 0.00000 0.00000
|
|
62 18F-3 0.00000 -0.18200 -0.06657 0.00000 0.00000
|
|
63 19G 0 0.00000 -0.02022 -0.00083 0.00000 0.00000
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324 12D-2 0.05459 0.21366 -0.00697 -0.06828 0.04903
|
|
325 13F 0 0.01068 -0.28946 -0.02060 0.01383 0.00177
|
|
326 13F+1 -0.03285 -0.01693 0.02894 0.07652 0.07904
|
|
327 13F-1 -0.01148 -0.02566 -0.05068 -0.06872 0.01266
|
|
328 13F+2 -0.08725 0.06446 -0.01802 -0.23773 -0.15502
|
|
329 13F-2 0.05832 0.10716 0.01600 0.00280 0.05890
|
|
330 13F+3 -0.03923 0.02496 0.05966 0.29016 0.08326
|
|
331 13F-3 -0.11800 -0.03067 0.00618 0.09640 0.01639
|
|
332 14F 0 0.00952 0.35122 0.02757 0.03699 -0.09007
|
|
333 14F+1 0.08274 0.09533 0.01047 -0.01307 -0.15024
|
|
334 14F-1 -0.05028 0.03439 0.01791 0.02219 -0.05231
|
|
335 14F+2 0.15678 -0.01034 0.01240 0.11120 0.05924
|
|
336 14F-2 -0.04583 -0.17134 -0.01367 0.01582 -0.05963
|
|
337 14F+3 0.07702 0.03726 -0.02444 -0.15756 -0.02041
|
|
338 14F-3 0.07009 -0.05630 -0.00955 -0.04050 -0.00651
|
|
339 15G 0 -0.01575 0.06813 0.00365 0.00474 0.00983
|
|
340 15G+1 -0.00287 0.02923 -0.01367 -0.14961 -0.06254
|
|
341 15G-1 0.01882 0.05860 0.02282 0.15937 0.03602
|
|
342 15G+2 0.05116 0.00595 0.00098 0.23754 0.15921
|
|
343 15G-2 -0.04991 -0.06117 -0.01891 -0.02524 0.07460
|
|
344 15G+3 -0.04900 -0.06590 0.01073 -0.08422 -0.09071
|
|
345 15G-3 0.01940 0.00301 -0.00981 -0.12101 -0.17638
|
|
346 15G+4 0.04811 0.03031 -0.03564 -0.12393 -0.04004
|
|
347 15G-4 0.10469 0.03890 0.00703 -0.10339 0.19438
|
|
348 6 H 1S 0.01727 -0.00427 -0.00003 0.02184 -0.05302
|
|
349 2S 0.04363 0.02414 0.03600 -0.06764 0.33589
|
|
350 3S 0.62093 -0.39599 -1.01342 0.73280 -0.97089
|
|
351 4S 0.76540 -0.21287 -1.06214 0.64605 -0.60750
|
|
352 5S -0.06866 0.05931 0.07257 -0.01419 -0.04982
|
|
353 6PX -0.00254 -0.00196 -0.00099 0.01510 -0.00395
|
|
354 6PY 0.01112 -0.00562 -0.00524 0.00625 -0.00174
|
|
355 6PZ -0.00670 -0.01109 0.00366 0.00335 -0.00260
|
|
356 7PX -0.00338 0.03731 0.02039 0.02071 -0.04110
|
|
357 7PY -0.06986 0.04744 0.01367 -0.00131 -0.03782
|
|
358 7PZ 0.03883 0.05575 -0.00435 0.02149 0.07939
|
|
359 8PX -0.28282 -0.26345 0.11993 -0.22376 0.23253
|
|
360 8PY 0.21871 -0.32513 0.18099 -0.13033 0.14766
|
|
361 8PZ 0.20507 -0.51670 -0.37142 0.24553 -0.61973
|
|
362 9PX -0.14658 0.04230 0.17096 -0.16288 0.16016
|
|
363 9PY -0.05901 -0.03095 0.14581 -0.17223 0.15120
|
|
364 9PZ 0.17711 -0.05845 -0.35831 0.15945 -0.35904
|
|
365 10D 0 -0.01192 0.03098 -0.00113 0.01509 0.01817
|
|
366 10D+1 0.02080 0.02401 0.00585 0.01778 0.01820
|
|
367 10D-1 0.00495 0.00616 -0.01632 -0.00038 -0.07816
|
|
368 10D+2 -0.01211 -0.00962 0.01460 -0.01489 0.00450
|
|
369 10D-2 -0.02163 -0.00279 0.01641 -0.03784 0.00994
|
|
370 11D 0 0.04559 -0.22078 -0.02705 0.05207 -0.14659
|
|
371 11D+1 -0.09645 -0.03176 0.03863 -0.03777 0.08135
|
|
372 11D-1 0.03855 -0.05139 0.03969 -0.01852 0.08256
|
|
373 11D+2 0.09257 -0.00186 -0.00159 0.00106 0.00479
|
|
374 11D-2 0.01475 0.10743 -0.02463 0.04619 -0.01598
|
|
375 12D 0 0.00515 -0.32993 -0.09305 0.03344 -0.24475
|
|
376 12D+1 -0.13457 -0.01269 0.03773 -0.06718 0.18082
|
|
377 12D-1 0.14862 -0.12008 0.03376 -0.00050 0.08303
|
|
378 12D+2 0.11991 0.01671 0.00415 -0.01568 -0.01443
|
|
379 12D-2 -0.05459 0.21366 -0.00697 0.06828 -0.04903
|
|
380 13F 0 0.01068 0.28946 0.02060 0.01383 0.00177
|
|
381 13F+1 0.03285 -0.01693 0.02894 -0.07652 -0.07904
|
|
382 13F-1 0.01148 -0.02566 -0.05068 0.06872 -0.01266
|
|
383 13F+2 -0.08725 -0.06446 0.01802 -0.23773 -0.15502
|
|
384 13F-2 0.05832 -0.10716 -0.01600 0.00280 0.05890
|
|
385 13F+3 0.03923 0.02496 0.05966 -0.29016 -0.08326
|
|
386 13F-3 0.11800 -0.03067 0.00618 -0.09640 -0.01639
|
|
387 14F 0 0.00952 -0.35122 -0.02757 0.03699 -0.09007
|
|
388 14F+1 -0.08274 0.09533 0.01047 0.01307 0.15024
|
|
389 14F-1 0.05028 0.03439 0.01791 -0.02219 0.05231
|
|
390 14F+2 0.15678 0.01034 -0.01240 0.11120 0.05924
|
|
391 14F-2 -0.04583 0.17134 0.01367 0.01582 -0.05963
|
|
392 14F+3 -0.07702 0.03726 -0.02444 0.15756 0.02041
|
|
393 14F-3 -0.07009 -0.05630 -0.00955 0.04050 0.00651
|
|
394 15G 0 0.01575 0.06813 0.00365 -0.00474 -0.00983
|
|
395 15G+1 -0.00287 -0.02923 0.01367 -0.14961 -0.06254
|
|
396 15G-1 0.01882 -0.05860 -0.02282 0.15937 0.03602
|
|
397 15G+2 -0.05116 0.00595 0.00098 -0.23754 -0.15921
|
|
398 15G-2 0.04991 -0.06117 -0.01891 0.02524 -0.07460
|
|
399 15G+3 -0.04900 0.06590 -0.01073 -0.08422 -0.09071
|
|
400 15G-3 0.01940 -0.00301 0.00981 -0.12101 -0.17638
|
|
401 15G+4 -0.04811 0.03031 -0.03564 0.12393 0.04004
|
|
402 15G-4 -0.10469 0.03890 0.00703 0.10339 -0.19438
|
|
266 267 268 269 270
|
|
V V V V V
|
|
Eigenvalues -- 12.68512 12.71051 12.73737 12.74674 12.75025
|
|
1 1 C 1S -0.00487 0.00000 0.00156 0.00000 0.00049
|
|
2 2S 0.09310 0.00000 -0.03032 0.00000 0.00763
|
|
3 3S 0.67113 0.00000 -0.15914 0.00000 0.10279
|
|
4 4S -2.45727 0.00000 -0.14440 0.00000 -0.83829
|
|
5 5S 1.17941 0.00000 2.03477 0.00000 1.62124
|
|
6 6S -0.11954 0.00000 0.41984 0.00000 0.19090
|
|
7 7PX 0.05632 0.00000 -0.15850 0.00000 0.04969
|
|
8 7PY 0.17522 0.00000 -0.05958 0.00000 -0.02186
|
|
9 7PZ 0.00000 0.10055 0.00000 -0.14908 0.00000
|
|
10 8PX -0.10357 0.00000 0.70361 0.00000 -0.13729
|
|
11 8PY -0.77441 0.00000 0.21889 0.00000 0.09692
|
|
12 8PZ 0.00000 -0.46583 0.00000 0.60213 0.00000
|
|
13 9PX -0.36765 0.00000 -0.83233 0.00000 -0.87783
|
|
14 9PY 0.79050 0.00000 0.37500 0.00000 -0.28512
|
|
15 9PZ 0.00000 1.14119 0.00000 0.01259 0.00000
|
|
16 10PX 0.05528 0.00000 -0.70940 0.00000 -0.77833
|
|
17 10PY 0.39494 0.00000 -0.25628 0.00000 -0.46565
|
|
18 10PZ 0.00000 1.14571 0.00000 0.08439 0.00000
|
|
19 11PX -0.05170 0.00000 0.01983 0.00000 0.00681
|
|
20 11PY -0.04634 0.00000 0.04039 0.00000 -0.01435
|
|
21 11PZ 0.00000 0.04639 0.00000 0.01456 0.00000
|
|
22 12D 0 0.15488 0.00000 -0.15886 0.00000 0.31724
|
|
23 12D+1 0.00000 0.08498 0.00000 -0.44332 0.00000
|
|
24 12D-1 0.00000 -0.03065 0.00000 0.00879 0.00000
|
|
25 12D+2 0.23086 0.00000 0.11179 0.00000 -0.06852
|
|
26 12D-2 0.03368 0.00000 0.00441 0.00000 -0.02982
|
|
27 13D 0 -0.30657 0.00000 0.30999 0.00000 -0.39194
|
|
28 13D+1 0.00000 -0.18840 0.00000 0.61740 0.00000
|
|
29 13D-1 0.00000 0.02673 0.00000 0.03664 0.00000
|
|
30 13D+2 -0.43046 0.00000 -0.09009 0.00000 0.14293
|
|
31 13D-2 -0.05067 0.00000 -0.09631 0.00000 -0.05660
|
|
32 14D 0 0.30737 0.00000 0.29256 0.00000 -0.96781
|
|
33 14D+1 0.00000 0.47183 0.00000 1.15734 0.00000
|
|
34 14D-1 0.00000 -0.04795 0.00000 0.33903 0.00000
|
|
35 14D+2 -0.13934 0.00000 -0.64811 0.00000 0.24619
|
|
36 14D-2 -0.20762 0.00000 1.07778 0.00000 0.43841
|
|
37 15D 0 -0.03146 0.00000 -0.05660 0.00000 -0.25239
|
|
38 15D+1 0.00000 0.45417 0.00000 0.13437 0.00000
|
|
39 15D-1 0.00000 -0.16800 0.00000 -0.00921 0.00000
|
|
40 15D+2 -0.23098 0.00000 0.10564 0.00000 0.08151
|
|
41 15D-2 0.29882 0.00000 0.30452 0.00000 0.29043
|
|
42 16F 0 0.00000 -0.04634 0.00000 -0.10050 0.00000
|
|
43 16F+1 0.03498 0.00000 -0.00342 0.00000 0.03070
|
|
44 16F-1 -0.05954 0.00000 -0.10630 0.00000 0.00917
|
|
45 16F+2 0.00000 0.01677 0.00000 -0.09447 0.00000
|
|
46 16F-2 0.00000 0.06322 0.00000 -0.14118 0.00000
|
|
47 16F+3 0.05398 0.00000 -0.21908 0.00000 0.05716
|
|
48 16F-3 -0.00024 0.00000 -0.01871 0.00000 -0.09366
|
|
49 17F 0 0.00000 0.25140 0.00000 0.27166 0.00000
|
|
50 17F+1 -0.19557 0.00000 0.04601 0.00000 -0.07604
|
|
51 17F-1 0.03658 0.00000 0.39807 0.00000 -0.05698
|
|
52 17F+2 0.00000 0.01592 0.00000 0.20819 0.00000
|
|
53 17F-2 0.00000 -0.14566 0.00000 0.41846 0.00000
|
|
54 17F+3 -0.00105 0.00000 0.53995 0.00000 -0.15266
|
|
55 17F-3 -0.09747 0.00000 0.02947 0.00000 0.22577
|
|
56 18F 0 0.00000 -0.02699 0.00000 -0.07987 0.00000
|
|
57 18F+1 0.09190 0.00000 0.42389 0.00000 0.32931
|
|
58 18F-1 0.25784 0.00000 0.17998 0.00000 0.15856
|
|
59 18F+2 0.00000 -0.10151 0.00000 -0.09573 0.00000
|
|
60 18F-2 0.00000 -0.11326 0.00000 0.02329 0.00000
|
|
61 18F+3 0.12495 0.00000 0.10451 0.00000 0.22492
|
|
62 18F-3 0.18294 0.00000 -0.08053 0.00000 0.01531
|
|
63 19G 0 -0.07469 0.00000 -0.00511 0.00000 0.04003
|
|
64 19G+1 0.00000 0.02710 0.00000 -0.02557 0.00000
|
|
65 19G-1 0.00000 -0.04314 0.00000 0.08980 0.00000
|
|
66 19G+2 -0.02975 0.00000 0.01850 0.00000 0.03876
|
|
67 19G-2 -0.03464 0.00000 0.02006 0.00000 -0.03274
|
|
68 19G+3 0.00000 0.00512 0.00000 -0.08821 0.00000
|
|
69 19G-3 0.00000 -0.02753 0.00000 0.05657 0.00000
|
|
70 19G+4 -0.01027 0.00000 -0.00548 0.00000 -0.01479
|
|
71 19G-4 0.06477 0.00000 -0.00117 0.00000 -0.12254
|
|
72 20G 0 0.09981 0.00000 0.15424 0.00000 -0.10850
|
|
73 20G+1 0.00000 0.11361 0.00000 -0.09496 0.00000
|
|
74 20G-1 0.00000 0.20885 0.00000 -0.21813 0.00000
|
|
75 20G+2 -0.21053 0.00000 -0.09526 0.00000 -0.04071
|
|
76 20G-2 0.18085 0.00000 -0.14577 0.00000 0.02926
|
|
77 20G+3 0.00000 -0.01182 0.00000 0.25631 0.00000
|
|
78 20G-3 0.00000 0.07268 0.00000 -0.16588 0.00000
|
|
79 20G+4 -0.33104 0.00000 0.13898 0.00000 0.13978
|
|
80 20G-4 -0.15540 0.00000 -0.41073 0.00000 0.08103
|
|
81 21H 0 0.00000 -0.00089 0.00000 -0.11212 0.00000
|
|
82 21H+1 0.05069 0.00000 0.00157 0.00000 -0.07969
|
|
83 21H-1 0.14325 0.00000 -0.04015 0.00000 -0.04364
|
|
84 21H+2 0.00000 0.01739 0.00000 0.02190 0.00000
|
|
85 21H-2 0.00000 0.08290 0.00000 -0.00068 0.00000
|
|
86 21H+3 -0.06018 0.00000 -0.09093 0.00000 0.04142
|
|
87 21H-3 0.04743 0.00000 -0.10671 0.00000 -0.03268
|
|
88 21H+4 0.00000 0.03817 0.00000 -0.07449 0.00000
|
|
89 21H-4 0.00000 0.02243 0.00000 0.02414 0.00000
|
|
90 21H+5 0.04029 0.00000 -0.13819 0.00000 -0.02581
|
|
91 21H-5 0.14252 0.00000 -0.08174 0.00000 -0.00774
|
|
92 2 O 1S 0.02863 0.00000 0.00310 0.00000 -0.00123
|
|
93 2S -0.37217 0.00000 0.08929 0.00000 0.04995
|
|
94 3S -1.51190 0.00000 0.39401 0.00000 0.20877
|
|
95 4S 2.48399 0.00000 -0.32455 0.00000 -0.26374
|
|
96 5S -0.20947 0.00000 -2.02449 0.00000 -0.54397
|
|
97 6S -1.27187 0.00000 -1.33608 0.00000 -0.63634
|
|
98 7PX -0.04246 0.00000 -0.15512 0.00000 -0.02719
|
|
99 7PY 0.03457 0.00000 0.05280 0.00000 0.03803
|
|
100 7PZ 0.00000 -0.00980 0.00000 -0.03385 0.00000
|
|
101 8PX 0.06699 0.00000 0.14906 0.00000 0.05152
|
|
102 8PY -0.16070 0.00000 0.05763 0.00000 0.04796
|
|
103 8PZ 0.00000 0.00614 0.00000 0.00082 0.00000
|
|
104 9PX 0.60552 0.00000 -0.67963 0.00000 -0.37490
|
|
105 9PY 0.50756 0.00000 -0.34269 0.00000 -0.24209
|
|
106 9PZ 0.00000 0.04825 0.00000 0.04874 0.00000
|
|
107 10PX -0.54037 0.00000 0.04886 0.00000 0.79940
|
|
108 10PY -0.81738 0.00000 0.14861 0.00000 -0.69986
|
|
109 10PZ 0.00000 -0.41883 0.00000 -0.02462 0.00000
|
|
110 11PX -0.02815 0.00000 -0.14044 0.00000 0.01618
|
|
111 11PY -0.09753 0.00000 0.10301 0.00000 -0.01160
|
|
112 11PZ 0.00000 -0.13535 0.00000 -0.00033 0.00000
|
|
113 12D 0 0.00315 0.00000 0.00184 0.00000 0.00537
|
|
114 12D+1 0.00000 0.00080 0.00000 -0.00056 0.00000
|
|
115 12D-1 0.00000 0.00499 0.00000 0.00220 0.00000
|
|
116 12D+2 -0.00583 0.00000 0.02324 0.00000 0.00937
|
|
117 12D-2 -0.00588 0.00000 -0.00366 0.00000 -0.00407
|
|
118 13D 0 -0.02614 0.00000 0.09984 0.00000 0.05428
|
|
119 13D+1 0.00000 -0.01544 0.00000 0.01929 0.00000
|
|
120 13D-1 0.00000 0.03895 0.00000 -0.11123 0.00000
|
|
121 13D+2 -0.01825 0.00000 -0.06065 0.00000 -0.05432
|
|
122 13D-2 -0.00486 0.00000 -0.08880 0.00000 0.05863
|
|
123 14D 0 -0.21009 0.00000 0.10939 0.00000 -0.03327
|
|
124 14D+1 0.00000 0.06798 0.00000 -0.08231 0.00000
|
|
125 14D-1 0.00000 -0.15087 0.00000 0.32482 0.00000
|
|
126 14D+2 -0.12111 0.00000 -0.03824 0.00000 0.07872
|
|
127 14D-2 -0.07224 0.00000 0.44422 0.00000 -0.19788
|
|
128 15D 0 0.37772 0.00000 0.04504 0.00000 -0.01677
|
|
129 15D+1 0.00000 -0.24909 0.00000 -0.06985 0.00000
|
|
130 15D-1 0.00000 -0.36721 0.00000 0.12019 0.00000
|
|
131 15D+2 -0.08076 0.00000 -0.49691 0.00000 0.05115
|
|
132 15D-2 0.24840 0.00000 0.84038 0.00000 0.36591
|
|
133 16F 0 0.00000 0.00308 0.00000 -0.00302 0.00000
|
|
134 16F+1 -0.01009 0.00000 -0.01713 0.00000 -0.00058
|
|
135 16F-1 0.00803 0.00000 -0.00263 0.00000 -0.00438
|
|
136 16F+2 0.00000 0.00331 0.00000 -0.00568 0.00000
|
|
137 16F-2 0.00000 0.01070 0.00000 0.00101 0.00000
|
|
138 16F+3 0.02514 0.00000 0.00472 0.00000 0.00696
|
|
139 16F-3 -0.00925 0.00000 -0.03057 0.00000 -0.00943
|
|
140 17F 0 0.00000 0.01580 0.00000 -0.04099 0.00000
|
|
141 17F+1 0.07638 0.00000 0.08800 0.00000 0.07089
|
|
142 17F-1 -0.09821 0.00000 0.00484 0.00000 0.00632
|
|
143 17F+2 0.00000 0.07472 0.00000 -0.07795 0.00000
|
|
144 17F-2 0.00000 0.10813 0.00000 0.00145 0.00000
|
|
145 17F+3 0.07294 0.00000 -0.07745 0.00000 0.03991
|
|
146 17F-3 -0.12348 0.00000 0.11621 0.00000 0.02635
|
|
147 18F 0 0.00000 0.02990 0.00000 -0.02536 0.00000
|
|
148 18F+1 -0.06970 0.00000 -0.28852 0.00000 -0.22262
|
|
149 18F-1 0.21693 0.00000 0.07907 0.00000 0.12186
|
|
150 18F+2 0.00000 -0.05638 0.00000 -0.13518 0.00000
|
|
151 18F-2 0.00000 -0.33297 0.00000 0.10666 0.00000
|
|
152 18F+3 -0.26897 0.00000 -0.72798 0.00000 -0.29665
|
|
153 18F-3 0.17762 0.00000 -0.11437 0.00000 -0.09249
|
|
154 19G 0 0.03329 0.00000 0.01703 0.00000 0.01654
|
|
155 19G+1 0.00000 0.00427 0.00000 0.00022 0.00000
|
|
156 19G-1 0.00000 0.01053 0.00000 0.00229 0.00000
|
|
157 19G+2 -0.03170 0.00000 -0.00120 0.00000 -0.00798
|
|
158 19G-2 0.01425 0.00000 0.01796 0.00000 0.00771
|
|
159 19G+3 0.00000 -0.02586 0.00000 0.00245 0.00000
|
|
160 19G-3 0.00000 -0.02063 0.00000 0.00783 0.00000
|
|
161 19G+4 -0.00034 0.00000 -0.00854 0.00000 0.00473
|
|
162 19G-4 0.02350 0.00000 0.01823 0.00000 0.00488
|
|
163 20G 0 -0.02880 0.00000 -0.02326 0.00000 0.00450
|
|
164 20G+1 0.00000 0.02803 0.00000 0.01797 0.00000
|
|
165 20G-1 0.00000 -0.01899 0.00000 -0.07355 0.00000
|
|
166 20G+2 0.06602 0.00000 -0.04519 0.00000 -0.01924
|
|
167 20G-2 0.02730 0.00000 -0.09219 0.00000 0.00396
|
|
168 20G+3 0.00000 0.07949 0.00000 -0.03604 0.00000
|
|
169 20G-3 0.00000 -0.02865 0.00000 -0.03399 0.00000
|
|
170 20G+4 0.02274 0.00000 -0.06649 0.00000 -0.04563
|
|
171 20G-4 -0.02721 0.00000 -0.26641 0.00000 -0.10671
|
|
172 21H 0 0.00000 0.04028 0.00000 0.01027 0.00000
|
|
173 21H+1 0.12715 0.00000 0.10067 0.00000 0.07573
|
|
174 21H-1 -0.01329 0.00000 -0.07419 0.00000 -0.02972
|
|
175 21H+2 0.00000 0.04154 0.00000 -0.00396 0.00000
|
|
176 21H-2 0.00000 0.11536 0.00000 -0.00549 0.00000
|
|
177 21H+3 -0.14511 0.00000 0.08530 0.00000 -0.00348
|
|
178 21H-3 0.06121 0.00000 0.05703 0.00000 0.03562
|
|
179 21H+4 0.00000 -0.14835 0.00000 0.01444 0.00000
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|
180 21H-4 0.00000 0.02433 0.00000 -0.00626 0.00000
|
|
181 21H+5 -0.00467 0.00000 0.00357 0.00000 -0.02110
|
|
182 21H-5 0.17383 0.00000 0.06365 0.00000 0.06123
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|
183 3 H 1S 0.02998 0.00000 0.00636 0.00000 -0.03748
|
|
184 2S -0.26330 0.00000 -0.12704 0.00000 0.16876
|
|
185 3S 0.18441 0.00000 0.08621 0.00000 -1.41313
|
|
186 4S 0.22209 0.00000 -0.43606 0.00000 -0.68330
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|
187 5S -0.02822 0.00000 0.04004 0.00000 0.01480
|
|
188 6PX 0.00380 0.00000 -0.02635 0.00000 0.04102
|
|
189 6PY 0.01846 0.00000 -0.00068 0.00000 0.00579
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|
190 6PZ 0.00000 0.00164 0.00000 -0.00212 0.00000
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|
191 7PX -0.05836 0.00000 0.00165 0.00000 -0.04454
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|
192 7PY 0.03120 0.00000 0.00400 0.00000 0.01174
|
|
193 7PZ 0.00000 -0.01424 0.00000 -0.04684 0.00000
|
|
194 8PX 0.11635 0.00000 0.26576 0.00000 -0.57610
|
|
195 8PY -0.56149 0.00000 0.02920 0.00000 0.41468
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|
196 8PZ 0.00000 -0.02056 0.00000 0.67759 0.00000
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|
197 9PX 0.03055 0.00000 0.03900 0.00000 -0.29712
|
|
198 9PY -0.25830 0.00000 0.20683 0.00000 0.29268
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|
199 9PZ 0.00000 0.09105 0.00000 0.24193 0.00000
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|
200 10D 0 0.08082 0.00000 0.00657 0.00000 -0.07343
|
|
201 10D+1 0.00000 0.05456 0.00000 0.00436 0.00000
|
|
202 10D-1 0.00000 -0.06512 0.00000 -0.00322 0.00000
|
|
203 10D+2 0.04778 0.00000 -0.04514 0.00000 0.07643
|
|
204 10D-2 0.05272 0.00000 0.00153 0.00000 0.02150
|
|
205 11D 0 -0.10493 0.00000 -0.04748 0.00000 0.13034
|
|
206 11D+1 0.00000 -0.06310 0.00000 0.20366 0.00000
|
|
207 11D-1 0.00000 0.04931 0.00000 -0.07502 0.00000
|
|
208 11D+2 -0.02719 0.00000 0.08468 0.00000 -0.11405
|
|
209 11D-2 -0.18694 0.00000 -0.03119 0.00000 0.12612
|
|
210 12D 0 -0.10874 0.00000 0.00969 0.00000 0.16204
|
|
211 12D+1 0.00000 0.00636 0.00000 0.39175 0.00000
|
|
212 12D-1 0.00000 -0.06148 0.00000 -0.22085 0.00000
|
|
213 12D+2 -0.07068 0.00000 0.11140 0.00000 0.03328
|
|
214 12D-2 -0.32800 0.00000 -0.06610 0.00000 0.12353
|
|
215 13F 0 0.00000 -0.22682 0.00000 -0.05193 0.00000
|
|
216 13F+1 0.18364 0.00000 0.01991 0.00000 -0.14544
|
|
217 13F-1 0.07034 0.00000 0.10508 0.00000 0.14291
|
|
218 13F+2 0.00000 -0.11190 0.00000 -0.14593 0.00000
|
|
219 13F-2 0.00000 0.00427 0.00000 0.20460 0.00000
|
|
220 13F+3 0.13687 0.00000 -0.05874 0.00000 0.02448
|
|
221 13F-3 0.04763 0.00000 0.13148 0.00000 0.03116
|
|
222 14F 0 0.00000 0.11185 0.00000 -0.09511 0.00000
|
|
223 14F+1 -0.15762 0.00000 -0.02017 0.00000 0.13043
|
|
224 14F-1 0.00551 0.00000 -0.04812 0.00000 -0.09942
|
|
225 14F+2 0.00000 0.03079 0.00000 0.20363 0.00000
|
|
226 14F-2 0.00000 -0.01548 0.00000 -0.24253 0.00000
|
|
227 14F+3 -0.11603 0.00000 0.02454 0.00000 0.00755
|
|
228 14F-3 -0.12462 0.00000 -0.11797 0.00000 0.03168
|
|
229 15G 0 -0.11540 0.00000 0.08354 0.00000 0.48620
|
|
230 15G+1 0.00000 -0.20600 0.00000 0.03029 0.00000
|
|
231 15G-1 0.00000 -0.49331 0.00000 0.37323 0.00000
|
|
232 15G+2 -0.01102 0.00000 0.06840 0.00000 0.31020
|
|
233 15G-2 0.13103 0.00000 0.04572 0.00000 -0.32912
|
|
234 15G+3 0.00000 -0.17517 0.00000 0.08779 0.00000
|
|
235 15G-3 0.00000 -0.09108 0.00000 0.19999 0.00000
|
|
236 15G+4 0.05587 0.00000 0.04836 0.00000 -0.00199
|
|
237 15G-4 -0.00539 0.00000 -0.02503 0.00000 -0.03519
|
|
238 4 H 1S -0.05580 0.00000 0.20570 0.00000 0.03458
|
|
239 2S 0.36709 0.00000 -0.64164 0.00000 -0.24929
|
|
240 3S -0.11782 0.00000 2.17867 0.00000 0.02663
|
|
241 4S 0.31499 0.00000 1.03090 0.00000 0.20843
|
|
242 5S -0.05422 0.00000 0.07243 0.00000 0.00244
|
|
243 6PX -0.01685 0.00000 0.00604 0.00000 -0.02366
|
|
244 6PY 0.01806 0.00000 -0.01390 0.00000 0.01132
|
|
245 6PZ 0.00000 -0.00602 0.00000 -0.00193 0.00000
|
|
246 7PX -0.10981 0.00000 0.12913 0.00000 0.12247
|
|
247 7PY -0.00251 0.00000 0.02228 0.00000 -0.01267
|
|
248 7PZ 0.00000 -0.02325 0.00000 -0.00914 0.00000
|
|
249 8PX 0.61176 0.00000 -0.97168 0.00000 -0.10389
|
|
250 8PY 0.01976 0.00000 0.56426 0.00000 0.27112
|
|
251 8PZ 0.00000 -0.00146 0.00000 0.18872 0.00000
|
|
252 9PX 0.13310 0.00000 -0.69261 0.00000 -0.12376
|
|
253 9PY 0.06563 0.00000 0.27980 0.00000 0.08013
|
|
254 9PZ 0.00000 0.02837 0.00000 0.05696 0.00000
|
|
255 10D 0 -0.24888 0.00000 -0.08117 0.00000 -0.06159
|
|
256 10D+1 0.00000 -0.01789 0.00000 -0.00736 0.00000
|
|
257 10D-1 0.00000 -0.07111 0.00000 -0.00957 0.00000
|
|
258 10D+2 -0.09273 0.00000 0.12445 0.00000 0.01088
|
|
259 10D-2 -0.05566 0.00000 0.01952 0.00000 -0.01074
|
|
260 11D 0 0.30727 0.00000 -0.00700 0.00000 0.04520
|
|
261 11D+1 0.00000 0.06428 0.00000 -0.04860 0.00000
|
|
262 11D-1 0.00000 0.08848 0.00000 0.01908 0.00000
|
|
263 11D+2 -0.08093 0.00000 -0.00977 0.00000 -0.03147
|
|
264 11D-2 0.11781 0.00000 -0.20688 0.00000 -0.11226
|
|
265 12D 0 0.27888 0.00000 -0.10869 0.00000 -0.01567
|
|
266 12D+1 0.00000 0.02737 0.00000 -0.11804 0.00000
|
|
267 12D-1 0.00000 0.11590 0.00000 -0.00009 0.00000
|
|
268 12D+2 -0.32131 0.00000 0.29695 0.00000 0.08305
|
|
269 12D-2 0.11828 0.00000 -0.34262 0.00000 -0.20147
|
|
270 13F 0 0.00000 -0.29502 0.00000 0.06686 0.00000
|
|
271 13F+1 0.60437 0.00000 0.50431 0.00000 0.32481
|
|
272 13F-1 -0.08201 0.00000 0.27556 0.00000 0.17500
|
|
273 13F+2 0.00000 0.08728 0.00000 0.00968 0.00000
|
|
274 13F-2 0.00000 0.49078 0.00000 -0.05667 0.00000
|
|
275 13F+3 0.14974 0.00000 0.06552 0.00000 0.12435
|
|
276 13F-3 -0.14100 0.00000 0.03729 0.00000 -0.07097
|
|
277 14F 0 0.00000 0.15286 0.00000 -0.06002 0.00000
|
|
278 14F+1 -0.52009 0.00000 -0.23621 0.00000 -0.17371
|
|
279 14F-1 0.10767 0.00000 -0.14561 0.00000 -0.09801
|
|
280 14F+2 0.00000 -0.11992 0.00000 0.04365 0.00000
|
|
281 14F-2 0.00000 -0.32311 0.00000 0.01914 0.00000
|
|
282 14F+3 -0.00092 0.00000 -0.07520 0.00000 -0.06250
|
|
283 14F-3 -0.03506 0.00000 0.12850 0.00000 0.15187
|
|
284 15G 0 -0.30891 0.00000 0.31965 0.00000 0.10854
|
|
285 15G+1 0.00000 0.16309 0.00000 0.01367 0.00000
|
|
286 15G-1 0.00000 0.30529 0.00000 -0.00739 0.00000
|
|
287 15G+2 -0.12094 0.00000 0.11945 0.00000 0.08024
|
|
288 15G-2 0.28185 0.00000 -0.24121 0.00000 -0.04634
|
|
289 15G+3 0.00000 0.14634 0.00000 0.02023 0.00000
|
|
290 15G-3 0.00000 -0.00874 0.00000 -0.01463 0.00000
|
|
291 15G+4 0.00207 0.00000 -0.01840 0.00000 -0.01225
|
|
292 15G-4 0.11700 0.00000 -0.08325 0.00000 -0.03752
|
|
293 5 H 1S 0.03948 -0.00176 -0.04464 -0.04373 0.01202
|
|
294 2S -0.33048 -0.09647 0.27043 0.26405 -0.07744
|
|
295 3S 0.04727 -0.55610 -1.15963 -1.12937 0.21858
|
|
296 4S 0.23705 -0.70191 -0.06866 -0.31045 0.38290
|
|
297 5S 0.05738 0.04262 -0.09741 -0.04259 -0.02658
|
|
298 6PX -0.01004 0.00367 0.00017 -0.01881 0.01455
|
|
299 6PY -0.00942 -0.00435 -0.00082 0.00068 -0.00344
|
|
300 6PZ -0.01592 -0.00900 0.00040 -0.03842 0.02066
|
|
301 7PX 0.07417 0.03094 -0.05378 0.02356 0.01332
|
|
302 7PY 0.08744 0.00854 -0.03909 -0.00072 -0.00137
|
|
303 7PZ 0.10539 0.06746 -0.05720 -0.00874 -0.03609
|
|
304 8PX 0.07433 0.18600 0.60330 0.03571 -0.35660
|
|
305 8PY -0.37951 0.27179 0.12361 0.32554 -0.22737
|
|
306 8PZ -0.37550 -0.04802 0.33330 0.69888 -0.03519
|
|
307 9PX -0.07397 0.02476 0.14615 0.03557 -0.23185
|
|
308 9PY -0.40250 0.26901 0.05866 0.11907 -0.12117
|
|
309 9PZ -0.14299 0.07995 0.10350 0.30830 -0.09187
|
|
310 10D 0 -0.00727 0.02010 0.01180 0.06681 -0.05196
|
|
311 10D+1 -0.00435 0.01204 0.01029 0.08473 -0.04161
|
|
312 10D-1 0.01673 -0.03408 -0.01856 0.01359 -0.01934
|
|
313 10D+2 0.04685 0.00677 -0.02860 0.01026 -0.02796
|
|
314 10D-2 0.00280 -0.02763 -0.00026 0.00797 0.00786
|
|
315 11D 0 0.09454 0.06554 -0.00116 -0.17085 -0.01290
|
|
316 11D+1 0.00819 -0.02981 -0.14346 -0.11312 0.10969
|
|
317 11D-1 0.09668 -0.01799 0.02045 -0.14963 0.07607
|
|
318 11D+2 -0.09913 -0.01674 -0.05196 0.04288 0.01906
|
|
319 11D-2 -0.00871 -0.03291 -0.04641 -0.03253 0.08150
|
|
320 12D 0 0.08772 0.18546 0.02916 -0.19362 -0.11642
|
|
321 12D+1 0.15334 0.02083 -0.28599 -0.05647 0.14001
|
|
322 12D-1 0.34660 -0.07650 0.01528 -0.20125 0.04557
|
|
323 12D+2 -0.18146 0.05544 -0.03443 0.11932 0.01851
|
|
324 12D-2 0.08730 -0.03157 -0.09114 0.04259 0.22572
|
|
325 13F 0 -0.00114 0.02974 0.05691 -0.03114 0.00322
|
|
326 13F+1 0.05626 0.04532 -0.11258 -0.12448 0.06804
|
|
327 13F-1 -0.05901 -0.00858 0.07694 -0.11664 -0.07290
|
|
328 13F+2 -0.11060 -0.03959 0.03119 -0.00837 -0.06937
|
|
329 13F-2 0.10928 -0.00643 -0.01210 -0.02707 0.15392
|
|
330 13F+3 0.06676 -0.04495 0.02407 0.07574 0.08380
|
|
331 13F-3 -0.12928 -0.02645 -0.00419 0.11103 0.08041
|
|
332 14F 0 0.02139 -0.10107 -0.07590 0.05310 0.07876
|
|
333 14F+1 -0.11208 -0.06731 0.14607 0.11537 -0.05221
|
|
334 14F-1 -0.08735 -0.00787 -0.06993 0.16851 0.05812
|
|
335 14F+2 0.13103 0.00983 0.04481 -0.06083 0.03197
|
|
336 14F-2 -0.11671 0.02091 0.05841 0.03674 -0.17916
|
|
337 14F+3 0.01165 0.02448 -0.01357 -0.06556 -0.00244
|
|
338 14F-3 0.09622 0.01485 0.02752 -0.08891 -0.09146
|
|
339 15G 0 0.03254 0.01157 0.01393 -0.09141 -0.01410
|
|
340 15G+1 -0.01257 0.03354 -0.01087 0.02481 0.01109
|
|
341 15G-1 0.03876 0.02513 -0.00178 0.10996 0.02417
|
|
342 15G+2 0.02630 0.00378 0.14823 0.08682 -0.05499
|
|
343 15G-2 0.04060 -0.08110 -0.03126 -0.28632 0.02893
|
|
344 15G+3 0.04120 -0.10561 -0.26871 -0.28978 0.13072
|
|
345 15G-3 -0.09191 0.08615 -0.14825 0.10893 0.09981
|
|
346 15G+4 -0.15793 0.22935 0.13131 0.28278 0.01713
|
|
347 15G-4 0.07117 0.06008 0.24309 0.06314 -0.29206
|
|
348 6 H 1S 0.03948 0.00176 -0.04464 0.04373 0.01202
|
|
349 2S -0.33048 0.09647 0.27043 -0.26405 -0.07744
|
|
350 3S 0.04727 0.55610 -1.15963 1.12937 0.21858
|
|
351 4S 0.23705 0.70191 -0.06866 0.31045 0.38290
|
|
352 5S 0.05738 -0.04262 -0.09741 0.04259 -0.02658
|
|
353 6PX -0.01004 -0.00367 0.00017 0.01881 0.01455
|
|
354 6PY -0.00942 0.00435 -0.00082 -0.00068 -0.00344
|
|
355 6PZ 0.01592 -0.00900 -0.00040 -0.03842 -0.02066
|
|
356 7PX 0.07417 -0.03094 -0.05378 -0.02356 0.01332
|
|
357 7PY 0.08744 -0.00854 -0.03909 0.00072 -0.00137
|
|
358 7PZ -0.10539 0.06746 0.05720 -0.00874 0.03609
|
|
359 8PX 0.07433 -0.18600 0.60330 -0.03571 -0.35660
|
|
360 8PY -0.37951 -0.27179 0.12361 -0.32554 -0.22737
|
|
361 8PZ 0.37550 -0.04802 -0.33330 0.69888 0.03519
|
|
362 9PX -0.07397 -0.02476 0.14615 -0.03557 -0.23185
|
|
363 9PY -0.40250 -0.26901 0.05866 -0.11907 -0.12117
|
|
364 9PZ 0.14299 0.07995 -0.10350 0.30830 0.09187
|
|
365 10D 0 -0.00727 -0.02010 0.01180 -0.06681 -0.05196
|
|
366 10D+1 0.00435 0.01204 -0.01029 0.08473 0.04161
|
|
367 10D-1 -0.01673 -0.03408 0.01856 0.01359 0.01934
|
|
368 10D+2 0.04685 -0.00677 -0.02860 -0.01026 -0.02796
|
|
369 10D-2 0.00280 0.02763 -0.00026 -0.00797 0.00786
|
|
370 11D 0 0.09454 -0.06554 -0.00116 0.17085 -0.01290
|
|
371 11D+1 -0.00819 -0.02981 0.14346 -0.11312 -0.10969
|
|
372 11D-1 -0.09668 -0.01799 -0.02045 -0.14963 -0.07607
|
|
373 11D+2 -0.09913 0.01674 -0.05196 -0.04288 0.01906
|
|
374 11D-2 -0.00871 0.03291 -0.04641 0.03253 0.08150
|
|
375 12D 0 0.08772 -0.18546 0.02916 0.19362 -0.11642
|
|
376 12D+1 -0.15334 0.02083 0.28599 -0.05647 -0.14001
|
|
377 12D-1 -0.34660 -0.07650 -0.01528 -0.20125 -0.04557
|
|
378 12D+2 -0.18146 -0.05544 -0.03443 -0.11932 0.01851
|
|
379 12D-2 0.08730 0.03157 -0.09114 -0.04259 0.22572
|
|
380 13F 0 0.00114 0.02974 -0.05691 -0.03114 -0.00322
|
|
381 13F+1 0.05626 -0.04532 -0.11258 0.12448 0.06804
|
|
382 13F-1 -0.05901 0.00858 0.07694 0.11664 -0.07290
|
|
383 13F+2 0.11060 -0.03959 -0.03119 -0.00837 0.06937
|
|
384 13F-2 -0.10928 -0.00643 0.01210 -0.02707 -0.15392
|
|
385 13F+3 0.06676 0.04495 0.02407 -0.07574 0.08380
|
|
386 13F-3 -0.12928 0.02645 -0.00419 -0.11103 0.08041
|
|
387 14F 0 -0.02139 -0.10107 0.07590 0.05310 -0.07876
|
|
388 14F+1 -0.11208 0.06731 0.14607 -0.11537 -0.05221
|
|
389 14F-1 -0.08735 0.00787 -0.06993 -0.16851 0.05812
|
|
390 14F+2 -0.13103 0.00983 -0.04481 -0.06083 -0.03197
|
|
391 14F-2 0.11671 0.02091 -0.05841 0.03674 0.17916
|
|
392 14F+3 0.01165 -0.02448 -0.01357 0.06556 -0.00244
|
|
393 14F-3 0.09622 -0.01485 0.02752 0.08891 -0.09146
|
|
394 15G 0 0.03254 -0.01157 0.01393 0.09141 -0.01410
|
|
395 15G+1 0.01257 0.03354 0.01087 0.02481 -0.01109
|
|
396 15G-1 -0.03876 0.02513 0.00178 0.10996 -0.02417
|
|
397 15G+2 0.02630 -0.00378 0.14823 -0.08682 -0.05499
|
|
398 15G-2 0.04060 0.08110 -0.03126 0.28632 0.02893
|
|
399 15G+3 -0.04120 -0.10561 0.26871 -0.28978 -0.13072
|
|
400 15G-3 0.09191 0.08615 0.14825 0.10893 -0.09981
|
|
401 15G+4 -0.15793 -0.22935 0.13131 -0.28278 0.01713
|
|
402 15G-4 0.07117 -0.06008 0.24309 -0.06314 -0.29206
|
|
271 272 273 274 275
|
|
V V V V V
|
|
Eigenvalues -- 12.78703 12.79019 12.83481 12.84213 12.88699
|
|
1 1 C 1S 0.00000 -0.00232 -0.00217 0.00000 -0.00122
|
|
2 2S 0.00000 0.01298 0.02976 0.00000 -0.01775
|
|
3 3S 0.00000 0.08884 0.34369 0.00000 -0.20382
|
|
4 4S 0.00000 -0.59844 -2.25130 0.00000 1.11073
|
|
5 5S 0.00000 1.65768 4.60276 0.00000 -0.89906
|
|
6 6S 0.00000 0.05472 0.61601 0.00000 -0.28237
|
|
7 7PX 0.00000 0.05634 0.21431 0.00000 -0.39474
|
|
8 7PY 0.00000 0.07925 -0.13197 0.00000 0.02367
|
|
9 7PZ 0.05512 0.00000 0.00000 -0.01100 0.00000
|
|
10 8PX 0.00000 -0.28033 -0.79999 0.00000 1.24454
|
|
11 8PY 0.00000 -0.40368 0.39325 0.00000 -0.21594
|
|
12 8PZ -0.12139 0.00000 0.00000 0.00331 0.00000
|
|
13 9PX 0.00000 0.04513 0.07588 0.00000 3.17401
|
|
14 9PY 0.00000 0.95262 -0.76838 0.00000 1.13532
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274 13F-2 -0.37819 0.00000 0.00000 -0.29509 0.00000
|
|
275 13F+3 0.00000 0.04222 -0.04346 0.00000 0.08180
|
|
276 13F-3 0.00000 0.04869 -0.00395 0.00000 0.00643
|
|
277 14F 0 -0.10148 0.00000 0.00000 -0.19947 0.00000
|
|
278 14F+1 0.00000 -0.18599 0.11501 0.00000 0.04682
|
|
279 14F-1 0.00000 0.04792 0.19196 0.00000 -0.20991
|
|
280 14F+2 0.07049 0.00000 0.00000 -0.02715 0.00000
|
|
281 14F-2 0.23186 0.00000 0.00000 0.20597 0.00000
|
|
282 14F+3 0.00000 -0.01592 -0.00675 0.00000 0.03439
|
|
283 14F-3 0.00000 -0.05334 -0.07323 0.00000 -0.04060
|
|
284 15G 0 0.00000 -0.05282 -0.27692 0.00000 -0.06229
|
|
285 15G+1 0.13416 0.00000 0.00000 -0.13436 0.00000
|
|
286 15G-1 0.05107 0.00000 0.00000 -0.30508 0.00000
|
|
287 15G+2 0.00000 0.01530 -0.11728 0.00000 0.20827
|
|
288 15G-2 0.00000 0.07299 0.24879 0.00000 0.39055
|
|
289 15G+3 0.09157 0.00000 0.00000 -0.15462 0.00000
|
|
290 15G-3 -0.06708 0.00000 0.00000 -0.04218 0.00000
|
|
291 15G+4 0.00000 0.03907 0.02051 0.00000 0.16029
|
|
292 15G-4 0.00000 0.02650 0.10091 0.00000 0.09184
|
|
293 5 H 1S 0.02678 0.00536 -0.02421 0.02523 -0.13666
|
|
294 2S -0.15582 -0.09905 -0.22236 -0.13494 0.67169
|
|
295 3S 0.90175 -0.21317 0.27743 1.57000 -2.56656
|
|
296 4S 0.71405 -0.10561 -0.00704 0.80456 -1.85848
|
|
297 5S 0.00275 0.01438 0.03008 -0.01640 0.04038
|
|
298 6PX -0.00044 0.00353 0.00235 0.00779 -0.01082
|
|
299 6PY 0.00384 0.00840 -0.00812 0.02680 0.00124
|
|
300 6PZ -0.00010 0.00466 0.00404 0.02637 -0.00318
|
|
301 7PX -0.03452 0.00758 0.06476 -0.01599 -0.12567
|
|
302 7PY 0.02789 -0.00891 0.06609 -0.03935 -0.05048
|
|
303 7PZ 0.04836 0.02421 0.07054 -0.02774 -0.12325
|
|
304 8PX 0.37698 -0.30141 -0.30175 -0.21617 1.12835
|
|
305 8PY -0.25536 0.11896 -0.65508 0.19513 0.41093
|
|
306 8PZ -0.70176 -0.01421 -0.17590 -0.93770 1.10949
|
|
307 9PX 0.12390 -0.04964 -0.09412 -0.11503 0.74785
|
|
308 9PY -0.23606 -0.02949 -0.16553 -0.07052 0.32393
|
|
309 9PZ -0.38552 -0.01260 -0.06603 -0.39110 0.79182
|
|
310 10D 0 0.03318 0.01739 -0.05998 -0.00681 0.00687
|
|
311 10D+1 -0.03870 0.00070 -0.03750 0.03022 0.04656
|
|
312 10D-1 -0.01188 -0.01664 0.04248 -0.13294 0.04550
|
|
313 10D+2 -0.02842 0.01318 -0.03363 -0.04864 0.02412
|
|
314 10D-2 0.02670 -0.11171 0.03101 0.00268 0.07298
|
|
315 11D 0 0.14286 -0.04808 -0.01245 0.22240 -0.06947
|
|
316 11D+1 -0.00561 0.11595 0.05986 0.07344 -0.30110
|
|
317 11D-1 0.07119 0.00342 0.11253 0.07360 -0.15328
|
|
318 11D+2 -0.04520 0.06074 -0.01616 0.06772 -0.09693
|
|
319 11D-2 -0.03519 0.08547 0.07327 -0.02427 -0.14079
|
|
320 12D 0 0.30784 -0.01519 -0.07273 0.27872 -0.15528
|
|
321 12D+1 -0.10084 0.18070 0.11733 0.16302 -0.65075
|
|
322 12D-1 0.19466 0.00373 0.33598 -0.10359 -0.24265
|
|
323 12D+2 -0.15605 0.06799 -0.01626 0.00947 -0.19563
|
|
324 12D-2 -0.07745 -0.01145 0.23137 -0.11262 -0.20257
|
|
325 13F 0 0.05891 -0.03288 -0.04549 0.04161 0.18961
|
|
326 13F+1 0.04947 0.05245 0.04335 0.07957 -0.18772
|
|
327 13F-1 0.00805 0.00481 0.10278 0.11984 -0.02486
|
|
328 13F+2 -0.21446 0.04853 0.01030 -0.00872 0.03671
|
|
329 13F-2 0.03574 0.03658 -0.01523 -0.06595 -0.02514
|
|
330 13F+3 0.21606 -0.09030 0.01226 0.00715 -0.13121
|
|
331 13F-3 0.05106 0.02205 0.21901 0.12915 -0.21378
|
|
332 14F 0 -0.14206 0.07377 0.10334 -0.13187 -0.18654
|
|
333 14F+1 -0.04474 -0.10590 -0.01574 -0.13926 0.31330
|
|
334 14F-1 -0.08443 -0.00986 -0.13002 -0.04542 0.10591
|
|
335 14F+2 0.16674 -0.08687 0.02083 -0.03754 0.09623
|
|
336 14F-2 -0.00607 -0.03058 -0.09894 0.06627 0.16433
|
|
337 14F+3 -0.08513 0.01695 0.02441 -0.01995 0.08821
|
|
338 14F-3 0.00880 -0.01564 -0.15594 -0.04813 0.16598
|
|
339 15G 0 0.00086 -0.04616 -0.04463 0.07014 0.01753
|
|
340 15G+1 0.08382 0.05299 -0.02449 -0.05926 -0.01797
|
|
341 15G-1 0.05475 0.02589 0.06069 0.11311 -0.03612
|
|
342 15G+2 -0.12212 -0.03774 0.09957 0.17347 -0.03286
|
|
343 15G-2 -0.10760 -0.14271 -0.01432 0.03240 -0.05857
|
|
344 15G+3 0.04138 -0.12099 -0.25780 -0.20600 -0.03868
|
|
345 15G-3 0.26170 0.33202 -0.07540 -0.09933 0.07514
|
|
346 15G+4 0.10313 0.42538 0.17533 0.08948 0.08033
|
|
347 15G-4 -0.37556 -0.14035 0.18025 0.15964 -0.06259
|
|
348 6 H 1S -0.02678 0.00536 -0.02421 -0.02523 -0.13666
|
|
349 2S 0.15582 -0.09905 -0.22236 0.13494 0.67169
|
|
350 3S -0.90175 -0.21317 0.27743 -1.57000 -2.56656
|
|
351 4S -0.71405 -0.10561 -0.00704 -0.80456 -1.85848
|
|
352 5S -0.00275 0.01438 0.03008 0.01640 0.04038
|
|
353 6PX 0.00044 0.00353 0.00235 -0.00779 -0.01082
|
|
354 6PY -0.00384 0.00840 -0.00812 -0.02680 0.00124
|
|
355 6PZ -0.00010 -0.00466 -0.00404 0.02637 0.00318
|
|
356 7PX 0.03452 0.00758 0.06476 0.01599 -0.12567
|
|
357 7PY -0.02789 -0.00891 0.06609 0.03935 -0.05048
|
|
358 7PZ 0.04836 -0.02421 -0.07054 -0.02774 0.12325
|
|
359 8PX -0.37698 -0.30141 -0.30175 0.21617 1.12835
|
|
360 8PY 0.25536 0.11896 -0.65508 -0.19513 0.41093
|
|
361 8PZ -0.70176 0.01421 0.17590 -0.93770 -1.10949
|
|
362 9PX -0.12390 -0.04964 -0.09412 0.11503 0.74785
|
|
363 9PY 0.23606 -0.02949 -0.16553 0.07052 0.32393
|
|
364 9PZ -0.38552 0.01260 0.06603 -0.39110 -0.79182
|
|
365 10D 0 -0.03318 0.01739 -0.05998 0.00681 0.00687
|
|
366 10D+1 -0.03870 -0.00070 0.03750 0.03022 -0.04656
|
|
367 10D-1 -0.01188 0.01664 -0.04248 -0.13294 -0.04550
|
|
368 10D+2 0.02842 0.01318 -0.03363 0.04864 0.02412
|
|
369 10D-2 -0.02670 -0.11171 0.03101 -0.00268 0.07298
|
|
370 11D 0 -0.14286 -0.04808 -0.01245 -0.22240 -0.06947
|
|
371 11D+1 -0.00561 -0.11595 -0.05986 0.07344 0.30110
|
|
372 11D-1 0.07119 -0.00342 -0.11253 0.07360 0.15328
|
|
373 11D+2 0.04520 0.06074 -0.01616 -0.06772 -0.09693
|
|
374 11D-2 0.03519 0.08547 0.07327 0.02427 -0.14079
|
|
375 12D 0 -0.30784 -0.01519 -0.07273 -0.27872 -0.15528
|
|
376 12D+1 -0.10084 -0.18070 -0.11733 0.16302 0.65075
|
|
377 12D-1 0.19466 -0.00373 -0.33598 -0.10359 0.24265
|
|
378 12D+2 0.15605 0.06799 -0.01626 -0.00947 -0.19563
|
|
379 12D-2 0.07745 -0.01145 0.23137 0.11262 -0.20257
|
|
380 13F 0 0.05891 0.03288 0.04549 0.04161 -0.18961
|
|
381 13F+1 -0.04947 0.05245 0.04335 -0.07957 -0.18772
|
|
382 13F-1 -0.00805 0.00481 0.10278 -0.11984 -0.02486
|
|
383 13F+2 -0.21446 -0.04853 -0.01030 -0.00872 -0.03671
|
|
384 13F-2 0.03574 -0.03658 0.01523 -0.06595 0.02514
|
|
385 13F+3 -0.21606 -0.09030 0.01226 -0.00715 -0.13121
|
|
386 13F-3 -0.05106 0.02205 0.21901 -0.12915 -0.21378
|
|
387 14F 0 -0.14206 -0.07377 -0.10334 -0.13187 0.18654
|
|
388 14F+1 0.04474 -0.10590 -0.01574 0.13926 0.31330
|
|
389 14F-1 0.08443 -0.00986 -0.13002 0.04542 0.10591
|
|
390 14F+2 0.16674 0.08687 -0.02083 -0.03754 -0.09623
|
|
391 14F-2 -0.00607 0.03058 0.09894 0.06627 -0.16433
|
|
392 14F+3 0.08513 0.01695 0.02441 0.01995 0.08821
|
|
393 14F-3 -0.00880 -0.01564 -0.15594 0.04813 0.16598
|
|
394 15G 0 -0.00086 -0.04616 -0.04463 -0.07014 0.01753
|
|
395 15G+1 0.08382 -0.05299 0.02449 -0.05926 0.01797
|
|
396 15G-1 0.05475 -0.02589 -0.06069 0.11311 0.03612
|
|
397 15G+2 0.12212 -0.03774 0.09957 -0.17347 -0.03286
|
|
398 15G-2 0.10760 -0.14271 -0.01432 -0.03240 -0.05857
|
|
399 15G+3 0.04138 0.12099 0.25780 -0.20600 0.03868
|
|
400 15G-3 0.26170 -0.33202 0.07540 -0.09933 -0.07514
|
|
401 15G+4 -0.10313 0.42538 0.17533 -0.08948 0.08033
|
|
402 15G-4 0.37556 -0.14035 0.18025 -0.15964 -0.06259
|
|
276 277 278 279 280
|
|
V V V V V
|
|
Eigenvalues -- 12.91868 12.94766 12.97099 12.97835 13.00634
|
|
1 1 C 1S 0.00000 -0.02770 0.00000 -0.00569 0.00000
|
|
2 2S 0.00000 0.02899 0.00000 0.02688 0.00000
|
|
3 3S 0.00000 -0.07775 0.00000 0.23777 0.00000
|
|
4 4S 0.00000 0.27669 0.00000 -1.68469 0.00000
|
|
5 5S 0.00000 3.61409 0.00000 3.25422 0.00000
|
|
6 6S 0.00000 -0.04031 0.00000 0.04206 0.00000
|
|
7 7PX 0.00000 -0.01995 0.00000 0.14544 0.00000
|
|
8 7PY 0.00000 0.43922 0.00000 0.11703 0.00000
|
|
9 7PZ 0.25315 0.00000 0.24878 0.00000 -0.07625
|
|
10 8PX 0.00000 0.05765 0.00000 -0.47289 0.00000
|
|
11 8PY 0.00000 -2.30309 0.00000 -0.48365 0.00000
|
|
12 8PZ -0.82831 0.00000 -0.86087 0.00000 0.26564
|
|
13 9PX 0.00000 0.54947 0.00000 -0.92912 0.00000
|
|
14 9PY 0.00000 7.60648 0.00000 0.87734 0.00000
|
|
15 9PZ -2.22967 0.00000 -1.62261 0.00000 0.67325
|
|
16 10PX 0.00000 1.21925 0.00000 -0.12684 0.00000
|
|
17 10PY 0.00000 2.28202 0.00000 0.14313 0.00000
|
|
18 10PZ -2.32117 0.00000 -1.32730 0.00000 0.11017
|
|
19 11PX 0.00000 -0.05355 0.00000 -0.15794 0.00000
|
|
20 11PY 0.00000 0.07544 0.00000 0.01403 0.00000
|
|
21 11PZ 0.00498 0.00000 -0.19206 0.00000 0.13335
|
|
22 12D 0 0.00000 -0.07540 0.00000 0.26238 0.00000
|
|
23 12D+1 0.36068 0.00000 0.28762 0.00000 -0.16004
|
|
24 12D-1 0.29968 0.00000 0.12847 0.00000 -0.12360
|
|
25 12D+2 0.00000 -0.13628 0.00000 -0.00579 0.00000
|
|
26 12D-2 0.00000 -0.01250 0.00000 0.00000 0.00000
|
|
27 13D 0 0.00000 -0.11353 0.00000 -0.47689 0.00000
|
|
28 13D+1 -0.70817 0.00000 -0.56934 0.00000 0.27764
|
|
29 13D-1 -0.68133 0.00000 -0.20881 0.00000 0.22028
|
|
30 13D+2 0.00000 -0.19341 0.00000 -0.00530 0.00000
|
|
31 13D-2 0.00000 -0.00041 0.00000 -0.00562 0.00000
|
|
32 14D 0 0.00000 2.28901 0.00000 -0.19503 0.00000
|
|
33 14D+1 -1.36897 0.00000 -1.52178 0.00000 -0.11216
|
|
34 14D-1 -0.38930 0.00000 -1.47978 0.00000 0.09903
|
|
35 14D+2 0.00000 1.81303 0.00000 0.45858 0.00000
|
|
36 14D-2 0.00000 0.56725 0.00000 -0.57218 0.00000
|
|
37 15D 0 0.00000 0.47886 0.00000 0.00470 0.00000
|
|
38 15D+1 -0.63171 0.00000 -0.43436 0.00000 -0.10945
|
|
39 15D-1 -0.24870 0.00000 -0.80754 0.00000 0.28024
|
|
40 15D+2 0.00000 0.04502 0.00000 0.07496 0.00000
|
|
41 15D-2 0.00000 0.35960 0.00000 -0.65353 0.00000
|
|
42 16F 0 -0.09700 0.00000 0.07932 0.00000 0.06368
|
|
43 16F+1 0.00000 -0.08292 0.00000 -0.00523 0.00000
|
|
44 16F-1 0.00000 0.23389 0.00000 0.01476 0.00000
|
|
45 16F+2 -0.09652 0.00000 0.03238 0.00000 0.02480
|
|
46 16F-2 0.05411 0.00000 0.11684 0.00000 0.03033
|
|
47 16F+3 0.00000 0.03665 0.00000 0.05571 0.00000
|
|
48 16F-3 0.00000 0.34084 0.00000 -0.04215 0.00000
|
|
49 17F 0 0.22337 0.00000 -0.20858 0.00000 -0.17789
|
|
50 17F+1 0.00000 0.31793 0.00000 0.03971 0.00000
|
|
51 17F-1 0.00000 -0.28393 0.00000 -0.11409 0.00000
|
|
52 17F+2 0.21184 0.00000 0.06493 0.00000 -0.01948
|
|
53 17F-2 -0.45447 0.00000 -0.62709 0.00000 -0.03012
|
|
54 17F+3 0.00000 -0.13753 0.00000 -0.05886 0.00000
|
|
55 17F-3 0.00000 -0.79388 0.00000 0.21479 0.00000
|
|
56 18F 0 0.43309 0.00000 -0.64997 0.00000 0.28875
|
|
57 18F+1 0.00000 0.35367 0.00000 0.00009 0.00000
|
|
58 18F-1 0.00000 0.62343 0.00000 0.40717 0.00000
|
|
59 18F+2 0.57581 0.00000 -0.60288 0.00000 0.44691
|
|
60 18F-2 -0.69175 0.00000 -0.38088 0.00000 -0.12336
|
|
61 18F+3 0.00000 -0.04777 0.00000 -1.23475 0.00000
|
|
62 18F-3 0.00000 0.01398 0.00000 0.06884 0.00000
|
|
63 19G 0 0.00000 -0.07490 0.00000 0.09060 0.00000
|
|
64 19G+1 -0.01095 0.00000 -0.09360 0.00000 0.02719
|
|
65 19G-1 -0.08375 0.00000 0.00777 0.00000 -0.07098
|
|
66 19G+2 0.00000 0.02580 0.00000 -0.00737 0.00000
|
|
67 19G-2 0.00000 0.02854 0.00000 0.02702 0.00000
|
|
68 19G+3 0.03968 0.00000 0.04976 0.00000 -0.04273
|
|
69 19G-3 -0.05084 0.00000 0.01429 0.00000 -0.07471
|
|
70 19G+4 0.00000 -0.01718 0.00000 -0.03242 0.00000
|
|
71 19G-4 0.00000 0.00738 0.00000 0.03688 0.00000
|
|
72 20G 0 0.00000 -0.16648 0.00000 -0.23184 0.00000
|
|
73 20G+1 0.18764 0.00000 0.41157 0.00000 -0.10495
|
|
74 20G-1 0.07313 0.00000 0.15655 0.00000 0.13638
|
|
75 20G+2 0.00000 -0.76801 0.00000 0.04105 0.00000
|
|
76 20G-2 0.00000 0.29790 0.00000 0.12228 0.00000
|
|
77 20G+3 0.02099 0.00000 -0.14924 0.00000 -0.09115
|
|
78 20G-3 -0.01712 0.00000 0.20308 0.00000 0.13578
|
|
79 20G+4 0.00000 -0.58104 0.00000 -0.05101 0.00000
|
|
80 20G-4 0.00000 -0.27112 0.00000 -0.05779 0.00000
|
|
81 21H 0 0.00788 0.00000 0.10963 0.00000 0.05534
|
|
82 21H+1 0.00000 -0.06682 0.00000 0.05033 0.00000
|
|
83 21H-1 0.00000 0.20826 0.00000 -0.05513 0.00000
|
|
84 21H+2 -0.03763 0.00000 0.14353 0.00000 -0.04302
|
|
85 21H-2 0.15784 0.00000 0.12724 0.00000 0.05387
|
|
86 21H+3 0.00000 -0.21610 0.00000 -0.02817 0.00000
|
|
87 21H-3 0.00000 0.02174 0.00000 0.02608 0.00000
|
|
88 21H+4 0.01600 0.00000 0.13680 0.00000 -0.03987
|
|
89 21H-4 0.00881 0.00000 -0.07166 0.00000 0.09600
|
|
90 21H+5 0.00000 -0.00203 0.00000 0.09005 0.00000
|
|
91 21H-5 0.00000 0.17058 0.00000 0.13315 0.00000
|
|
92 2 O 1S 0.00000 0.02752 0.00000 0.00933 0.00000
|
|
93 2S 0.00000 -0.35115 0.00000 -0.10034 0.00000
|
|
94 3S 0.00000 -1.36773 0.00000 -0.40997 0.00000
|
|
95 4S 0.00000 1.31109 0.00000 0.69224 0.00000
|
|
96 5S 0.00000 2.85314 0.00000 -0.59951 0.00000
|
|
97 6S 0.00000 1.65271 0.00000 -0.82721 0.00000
|
|
98 7PX 0.00000 -0.01494 0.00000 -0.04153 0.00000
|
|
99 7PY 0.00000 -0.08305 0.00000 0.03726 0.00000
|
|
100 7PZ -0.00070 0.00000 0.05531 0.00000 -0.01087
|
|
101 8PX 0.00000 0.02826 0.00000 0.05509 0.00000
|
|
102 8PY 0.00000 -0.37196 0.00000 -0.06643 0.00000
|
|
103 8PZ 0.01600 0.00000 -0.01316 0.00000 0.02456
|
|
104 9PX 0.00000 0.62016 0.00000 0.13646 0.00000
|
|
105 9PY 0.00000 1.56053 0.00000 0.25701 0.00000
|
|
106 9PZ -0.11156 0.00000 0.03720 0.00000 -0.00094
|
|
107 10PX 0.00000 -0.84884 0.00000 -1.41705 0.00000
|
|
108 10PY 0.00000 2.48024 0.00000 -0.26813 0.00000
|
|
109 10PZ 0.71245 0.00000 -0.95594 0.00000 0.37220
|
|
110 11PX 0.00000 -0.04499 0.00000 -0.30424 0.00000
|
|
111 11PY 0.00000 0.23925 0.00000 0.11320 0.00000
|
|
112 11PZ 0.02059 0.00000 -0.04119 0.00000 -0.01770
|
|
113 12D 0 0.00000 -0.01493 0.00000 -0.00006 0.00000
|
|
114 12D+1 -0.00409 0.00000 -0.00137 0.00000 -0.00854
|
|
115 12D-1 -0.00181 0.00000 -0.00129 0.00000 0.00341
|
|
116 12D+2 0.00000 -0.02870 0.00000 -0.00593 0.00000
|
|
117 12D-2 0.00000 0.01115 0.00000 -0.00812 0.00000
|
|
118 13D 0 0.00000 0.02779 0.00000 0.00803 0.00000
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372 11D-1 0.15836 -0.05342 0.07045 -0.05770 -0.04124
|
|
373 11D+2 0.00520 -0.22362 -0.05651 0.02150 0.03392
|
|
374 11D-2 -0.03921 -0.03446 -0.02852 0.03839 0.01988
|
|
375 12D 0 -0.60535 -0.19694 -0.36828 0.08456 0.12148
|
|
376 12D+1 0.46432 0.28199 0.26186 -0.10577 -0.04422
|
|
377 12D-1 0.23473 -0.03810 0.38645 -0.30345 -0.17109
|
|
378 12D+2 0.01005 -0.26374 -0.12665 0.02076 0.10432
|
|
379 12D-2 -0.06847 -0.05041 -0.23248 0.13680 0.12808
|
|
380 13F 0 0.06274 0.04341 -0.00141 0.16560 0.00080
|
|
381 13F+1 -0.22825 0.08582 -0.14842 -0.05819 0.12231
|
|
382 13F-1 -0.16260 -0.02408 -0.11559 0.30492 -0.08511
|
|
383 13F+2 0.08828 0.15789 -0.14791 -0.31584 0.32453
|
|
384 13F-2 -0.29396 0.02004 -0.20898 0.21252 -0.08396
|
|
385 13F+3 0.25528 -0.05650 0.16024 -0.56923 0.34476
|
|
386 13F-3 -0.16739 -0.06006 -0.41428 -0.06700 0.21556
|
|
387 14F 0 -0.15878 -0.05263 -0.10086 -0.10741 0.06309
|
|
388 14F+1 0.32573 -0.00364 0.18063 -0.01345 -0.08996
|
|
389 14F-1 0.22418 -0.02491 0.19938 -0.24362 -0.02594
|
|
390 14F+2 -0.06153 -0.19308 0.02977 0.20672 -0.14311
|
|
391 14F-2 0.05499 -0.02640 0.03656 -0.03036 0.09981
|
|
392 14F+3 -0.16523 0.06933 -0.05694 0.32897 -0.21349
|
|
393 14F-3 0.09311 0.06188 0.28841 -0.01295 -0.17459
|
|
394 15G 0 -0.03444 0.07242 0.01292 0.01473 -0.01130
|
|
395 15G+1 0.07454 0.07397 0.01848 -0.01395 -0.08477
|
|
396 15G-1 0.02600 -0.00634 0.04336 0.06818 0.11846
|
|
397 15G+2 0.01592 -0.03565 -0.01881 -0.05690 -0.11822
|
|
398 15G-2 0.04308 0.02547 -0.01524 0.07770 0.04168
|
|
399 15G+3 -0.04744 0.03434 0.03258 -0.07220 -0.03590
|
|
400 15G-3 0.12302 0.00438 0.00470 0.03885 0.00146
|
|
401 15G+4 -0.13807 0.09844 0.09512 -0.06461 0.02893
|
|
402 15G-4 -0.04277 -0.05803 0.13925 -0.03476 0.08795
|
|
281 282 283 284 285
|
|
V V V V V
|
|
Eigenvalues -- 13.00723 13.04161 13.09374 13.11289 13.15514
|
|
1 1 C 1S -0.02129 0.00000 0.00711 0.01211 0.00000
|
|
2 2S 0.03492 0.00000 0.02317 0.07439 0.00000
|
|
3 3S 0.03019 0.00000 0.39106 0.92551 0.00000
|
|
4 4S -0.68391 0.00000 -2.72702 -6.23234 0.00000
|
|
5 5S 5.87503 0.00000 3.11118 8.52687 0.00000
|
|
6 6S 0.60774 0.00000 0.11113 0.49248 0.00000
|
|
7 7PX -0.05559 0.00000 -0.21586 -0.03003 0.00000
|
|
8 7PY 0.22750 0.00000 -0.08388 -0.45073 0.00000
|
|
9 7PZ 0.00000 -0.31987 0.00000 0.00000 -0.11450
|
|
10 8PX 0.21975 0.00000 0.90314 0.07407 0.00000
|
|
11 8PY -1.28627 0.00000 0.41978 2.16189 0.00000
|
|
12 8PZ 0.00000 1.20426 0.00000 0.00000 0.47569
|
|
13 9PX -0.44384 0.00000 3.19172 0.28073 0.00000
|
|
14 9PY 4.66002 0.00000 -1.16140 -6.20810 0.00000
|
|
15 9PZ 0.00000 3.05526 0.00000 0.00000 0.75729
|
|
16 10PX -1.27227 0.00000 1.96701 0.28610 0.00000
|
|
17 10PY 0.95451 0.00000 -0.29137 -2.81843 0.00000
|
|
18 10PZ 0.00000 1.46826 0.00000 0.00000 0.35744
|
|
19 11PX -0.01778 0.00000 0.04629 0.11663 0.00000
|
|
20 11PY -0.03223 0.00000 -0.03997 -0.07237 0.00000
|
|
21 11PZ 0.00000 0.11056 0.00000 0.00000 0.00999
|
|
22 12D 0 -0.24443 0.00000 -0.34641 0.07955 0.00000
|
|
23 12D+1 0.00000 -0.62944 0.00000 0.00000 -0.17339
|
|
24 12D-1 0.00000 -0.72241 0.00000 0.00000 -0.30376
|
|
25 12D+2 -0.09584 0.00000 0.55706 0.01893 0.00000
|
|
26 12D-2 -0.07869 0.00000 -0.53647 0.02344 0.00000
|
|
27 13D 0 0.24414 0.00000 0.87578 0.16273 0.00000
|
|
28 13D+1 0.00000 1.26107 0.00000 0.00000 0.39233
|
|
29 13D-1 0.00000 1.47143 0.00000 0.00000 0.53874
|
|
30 13D+2 -0.11092 0.00000 -0.89870 0.41169 0.00000
|
|
31 13D-2 0.14303 0.00000 1.17247 -0.03678 0.00000
|
|
32 14D 0 -0.00753 0.00000 0.00094 -1.29932 0.00000
|
|
33 14D+1 0.00000 0.14373 0.00000 0.00000 0.07297
|
|
34 14D-1 0.00000 -0.69312 0.00000 0.00000 -0.21371
|
|
35 14D+2 2.33126 0.00000 -1.22947 -3.35256 0.00000
|
|
36 14D-2 -0.32603 0.00000 -0.90625 -0.15641 0.00000
|
|
37 15D 0 -0.37508 0.00000 0.19307 -0.06256 0.00000
|
|
38 15D+1 0.00000 0.05940 0.00000 0.00000 0.07292
|
|
39 15D-1 0.00000 -0.18056 0.00000 0.00000 -0.16444
|
|
40 15D+2 0.31969 0.00000 -0.21133 -0.75684 0.00000
|
|
41 15D-2 -0.04312 0.00000 -0.04858 -0.12663 0.00000
|
|
42 16F 0 0.00000 0.15988 0.00000 0.00000 -0.11406
|
|
43 16F+1 -0.08086 0.00000 0.10114 -0.00533 0.00000
|
|
44 16F-1 0.13145 0.00000 -0.24428 -0.40080 0.00000
|
|
45 16F+2 0.00000 0.19006 0.00000 0.00000 0.09568
|
|
46 16F-2 0.00000 -0.12362 0.00000 0.00000 -0.07010
|
|
47 16F+3 0.01424 0.00000 0.28769 0.03772 0.00000
|
|
48 16F-3 0.19500 0.00000 -0.05544 -0.46353 0.00000
|
|
49 17F 0 0.00000 -0.31378 0.00000 0.00000 0.50595
|
|
50 17F+1 0.34460 0.00000 -0.30595 -0.17185 0.00000
|
|
51 17F-1 -0.37742 0.00000 0.76098 0.99310 0.00000
|
|
52 17F+2 0.00000 -0.39152 0.00000 0.00000 -0.32026
|
|
53 17F-2 0.00000 0.50454 0.00000 0.00000 0.21205
|
|
54 17F+3 -0.17668 0.00000 -0.46076 -0.09791 0.00000
|
|
55 17F-3 -0.31771 0.00000 0.01867 0.97647 0.00000
|
|
56 18F 0 0.00000 -0.14177 0.00000 0.00000 -0.11513
|
|
57 18F+1 0.63212 0.00000 0.25513 0.74903 0.00000
|
|
58 18F-1 0.07559 0.00000 0.06657 0.98501 0.00000
|
|
59 18F+2 0.00000 -0.40530 0.00000 0.00000 -0.02903
|
|
60 18F-2 0.00000 -0.34379 0.00000 0.00000 -0.06916
|
|
61 18F+3 -0.12746 0.00000 -0.59318 -0.11041 0.00000
|
|
62 18F-3 0.87497 0.00000 0.27464 1.15155 0.00000
|
|
63 19G 0 0.00895 0.00000 -0.02925 0.05696 0.00000
|
|
64 19G+1 0.00000 -0.02469 0.00000 0.00000 -0.01030
|
|
65 19G-1 0.00000 -0.10139 0.00000 0.00000 -0.06643
|
|
66 19G+2 -0.08331 0.00000 0.05046 0.06461 0.00000
|
|
67 19G-2 -0.01469 0.00000 -0.03384 0.04758 0.00000
|
|
68 19G+3 0.00000 -0.01479 0.00000 0.00000 0.03582
|
|
69 19G-3 0.00000 -0.08552 0.00000 0.00000 -0.01126
|
|
70 19G+4 0.00613 0.00000 0.12015 0.02470 0.00000
|
|
71 19G-4 -0.06632 0.00000 -0.07216 0.07076 0.00000
|
|
72 20G 0 -0.33690 0.00000 0.14477 0.33602 0.00000
|
|
73 20G+1 0.00000 0.07638 0.00000 0.00000 0.06502
|
|
74 20G-1 0.00000 0.45122 0.00000 0.00000 0.40904
|
|
75 20G+2 -0.07364 0.00000 -0.03321 0.33213 0.00000
|
|
76 20G-2 0.36035 0.00000 0.26228 -0.10944 0.00000
|
|
77 20G+3 0.00000 -0.10797 0.00000 0.00000 0.03082
|
|
78 20G-3 0.00000 0.43948 0.00000 0.00000 -0.27112
|
|
79 20G+4 -0.39040 0.00000 -0.11295 0.75968 0.00000
|
|
80 20G-4 0.09468 0.00000 0.53121 -0.15804 0.00000
|
|
81 21H 0 0.00000 0.16667 0.00000 0.00000 0.01217
|
|
82 21H+1 -0.09346 0.00000 -0.06238 -0.01147 0.00000
|
|
83 21H-1 0.02245 0.00000 0.04527 -0.10793 0.00000
|
|
84 21H+2 0.00000 0.04394 0.00000 0.00000 0.00423
|
|
85 21H-2 0.00000 -0.03209 0.00000 0.00000 -0.00468
|
|
86 21H+3 -0.04150 0.00000 0.06941 -0.03880 0.00000
|
|
87 21H-3 0.18381 0.00000 -0.10959 -0.18282 0.00000
|
|
88 21H+4 0.00000 0.13009 0.00000 0.00000 0.07356
|
|
89 21H-4 0.00000 0.03275 0.00000 0.00000 -0.00824
|
|
90 21H+5 0.14662 0.00000 0.14894 -0.10047 0.00000
|
|
91 21H-5 0.09111 0.00000 0.02560 -0.15237 0.00000
|
|
92 2 O 1S 0.01594 0.00000 0.00242 -0.02237 0.00000
|
|
93 2S -0.23780 0.00000 0.03290 0.29036 0.00000
|
|
94 3S -0.94608 0.00000 0.09905 1.08885 0.00000
|
|
95 4S 0.88859 0.00000 0.41960 -0.07910 0.00000
|
|
96 5S 2.36532 0.00000 -1.93816 -7.25843 0.00000
|
|
97 6S 1.42985 0.00000 -1.32133 -3.20363 0.00000
|
|
98 7PX 0.06663 0.00000 -0.09011 -0.06094 0.00000
|
|
99 7PY -0.06982 0.00000 0.12466 0.15532 0.00000
|
|
100 7PZ 0.00000 0.05193 0.00000 0.00000 0.04657
|
|
101 8PX -0.04193 0.00000 0.20417 0.00578 0.00000
|
|
102 8PY -0.19360 0.00000 0.02458 0.41554 0.00000
|
|
103 8PZ 0.00000 0.01249 0.00000 0.00000 -0.01332
|
|
104 9PX 0.62728 0.00000 -0.49325 -0.54816 0.00000
|
|
105 9PY 0.73813 0.00000 -0.41914 -2.05610 0.00000
|
|
106 9PZ 0.00000 -0.01644 0.00000 0.00000 -0.28706
|
|
107 10PX 0.42272 0.00000 -1.37486 0.06603 0.00000
|
|
108 10PY 0.83203 0.00000 -1.48476 -3.37995 0.00000
|
|
109 10PZ 0.00000 -0.87236 0.00000 0.00000 -0.37426
|
|
110 11PX 0.31031 0.00000 -0.05147 -0.10573 0.00000
|
|
111 11PY -0.03741 0.00000 -0.19952 -0.31204 0.00000
|
|
112 11PZ 0.00000 -0.05942 0.00000 0.00000 -0.00588
|
|
113 12D 0 -0.00671 0.00000 0.00942 0.01583 0.00000
|
|
114 12D+1 0.00000 -0.00659 0.00000 0.00000 0.02235
|
|
115 12D-1 0.00000 -0.00371 0.00000 0.00000 -0.01526
|
|
116 12D+2 -0.02487 0.00000 0.02749 0.04347 0.00000
|
|
117 12D-2 0.00347 0.00000 0.00346 -0.00863 0.00000
|
|
118 13D 0 0.01283 0.00000 0.02323 -0.05512 0.00000
|
|
119 13D+1 0.00000 -0.02673 0.00000 0.00000 -0.00350
|
|
120 13D-1 0.00000 0.19640 0.00000 0.00000 -0.00661
|
|
121 13D+2 0.16067 0.00000 -0.23277 -0.30069 0.00000
|
|
122 13D-2 -0.00191 0.00000 0.24239 -0.06529 0.00000
|
|
123 14D 0 -0.48160 0.00000 0.21296 0.93260 0.00000
|
|
124 14D+1 0.00000 0.17722 0.00000 0.00000 -0.24253
|
|
125 14D-1 0.00000 -0.64503 0.00000 0.00000 0.04845
|
|
126 14D+2 -0.58425 0.00000 0.41481 1.62620 0.00000
|
|
127 14D-2 -0.30096 0.00000 -0.65065 0.69441 0.00000
|
|
128 15D 0 -0.17477 0.00000 0.24652 0.22478 0.00000
|
|
129 15D+1 0.00000 0.01523 0.00000 0.00000 -0.06208
|
|
130 15D-1 0.00000 -0.64832 0.00000 0.00000 -0.01040
|
|
131 15D+2 -0.34131 0.00000 0.18541 1.08762 0.00000
|
|
132 15D-2 0.12932 0.00000 -1.03270 -0.28263 0.00000
|
|
133 16F 0 0.00000 -0.00676 0.00000 0.00000 -0.00280
|
|
134 16F+1 0.00503 0.00000 -0.02623 0.00445 0.00000
|
|
135 16F-1 0.00259 0.00000 0.00759 -0.02476 0.00000
|
|
136 16F+2 0.00000 0.00034 0.00000 0.00000 -0.00803
|
|
137 16F-2 0.00000 -0.00060 0.00000 0.00000 0.00079
|
|
138 16F+3 0.00322 0.00000 0.03066 0.00331 0.00000
|
|
139 16F-3 0.01115 0.00000 -0.01329 -0.02334 0.00000
|
|
140 17F 0 0.00000 0.05164 0.00000 0.00000 -0.01409
|
|
141 17F+1 -0.00363 0.00000 0.08353 0.02259 0.00000
|
|
142 17F-1 -0.11714 0.00000 0.05882 0.23959 0.00000
|
|
143 17F+2 0.00000 0.09763 0.00000 0.00000 0.02228
|
|
144 17F-2 0.00000 -0.00447 0.00000 0.00000 -0.04424
|
|
145 17F+3 0.09252 0.00000 0.04178 -0.08382 0.00000
|
|
146 17F-3 -0.19148 0.00000 0.17637 0.41661 0.00000
|
|
147 18F 0 0.00000 0.22962 0.00000 0.00000 0.12553
|
|
148 18F+1 0.05236 0.00000 0.03174 -0.10128 0.00000
|
|
149 18F-1 -0.08796 0.00000 0.10474 0.01526 0.00000
|
|
150 18F+2 0.00000 0.42352 0.00000 0.00000 -0.11089
|
|
151 18F-2 0.00000 -0.07111 0.00000 0.00000 0.23519
|
|
152 18F+3 -0.03472 0.00000 0.56941 0.54137 0.00000
|
|
153 18F-3 -0.06167 0.00000 -0.27384 0.16236 0.00000
|
|
154 19G 0 -0.01015 0.00000 0.02159 0.01421 0.00000
|
|
155 19G+1 0.00000 -0.01871 0.00000 0.00000 0.05104
|
|
156 19G-1 0.00000 -0.00747 0.00000 0.00000 -0.02615
|
|
157 19G+2 -0.01405 0.00000 0.00811 0.02251 0.00000
|
|
158 19G-2 0.00134 0.00000 0.01293 -0.00997 0.00000
|
|
159 19G+3 0.00000 0.01402 0.00000 0.00000 -0.01933
|
|
160 19G-3 0.00000 -0.01544 0.00000 0.00000 0.04014
|
|
161 19G+4 -0.02278 0.00000 -0.00065 0.05558 0.00000
|
|
162 19G-4 -0.01492 0.00000 -0.02248 0.02833 0.00000
|
|
163 20G 0 0.00493 0.00000 -0.02221 0.01324 0.00000
|
|
164 20G+1 0.00000 -0.01440 0.00000 0.00000 -0.08775
|
|
165 20G-1 0.00000 0.10174 0.00000 0.00000 0.03650
|
|
166 20G+2 0.07995 0.00000 -0.09143 -0.01271 0.00000
|
|
167 20G-2 0.03192 0.00000 0.02497 0.00129 0.00000
|
|
168 20G+3 0.00000 0.00216 0.00000 0.00000 -0.08486
|
|
169 20G-3 0.00000 0.07998 0.00000 0.00000 -0.02871
|
|
170 20G+4 0.07339 0.00000 0.05684 0.09352 0.00000
|
|
171 20G-4 0.09430 0.00000 0.07166 0.01228 0.00000
|
|
172 21H 0 0.00000 -0.03670 0.00000 0.00000 -0.21781
|
|
173 21H+1 0.00427 0.00000 0.01535 0.02012 0.00000
|
|
174 21H-1 0.02224 0.00000 -0.05268 -0.04660 0.00000
|
|
175 21H+2 0.00000 -0.11137 0.00000 0.00000 0.08420
|
|
176 21H-2 0.00000 0.03584 0.00000 0.00000 -0.13077
|
|
177 21H+3 -0.03390 0.00000 0.04181 -0.04528 0.00000
|
|
178 21H-3 -0.01760 0.00000 0.09950 -0.10886 0.00000
|
|
179 21H+4 0.00000 -0.00778 0.00000 0.00000 0.04766
|
|
180 21H-4 0.00000 -0.00433 0.00000 0.00000 0.11848
|
|
181 21H+5 -0.02534 0.00000 -0.09944 0.02422 0.00000
|
|
182 21H-5 0.00368 0.00000 0.03695 -0.06212 0.00000
|
|
183 3 H 1S -0.11954 0.00000 0.18723 -0.00860 0.00000
|
|
184 2S 0.46134 0.00000 -1.09837 -0.33463 0.00000
|
|
185 3S -4.44631 0.00000 2.94918 0.32111 0.00000
|
|
186 4S -1.33774 0.00000 2.88626 0.75197 0.00000
|
|
187 5S 0.01539 0.00000 -0.02819 0.06390 0.00000
|
|
188 6PX 0.02782 0.00000 -0.01209 0.01029 0.00000
|
|
189 6PY 0.01171 0.00000 0.01456 -0.00906 0.00000
|
|
190 6PZ 0.00000 -0.01364 0.00000 0.00000 0.03103
|
|
191 7PX 0.05400 0.00000 -0.35084 -0.16518 0.00000
|
|
192 7PY -0.03871 0.00000 0.08498 0.11461 0.00000
|
|
193 7PZ 0.00000 -0.06004 0.00000 0.00000 0.00026
|
|
194 8PX -1.65338 0.00000 2.35302 0.83938 0.00000
|
|
195 8PY 0.03689 0.00000 -0.75455 -0.14904 0.00000
|
|
196 8PZ 0.00000 -0.03178 0.00000 0.00000 0.30686
|
|
197 9PX -0.58454 0.00000 1.85302 0.44665 0.00000
|
|
198 9PY 0.06001 0.00000 -0.58739 -0.09064 0.00000
|
|
199 9PZ 0.00000 0.09188 0.00000 0.00000 0.11744
|
|
200 10D 0 0.01907 0.00000 0.14891 -0.10577 0.00000
|
|
201 10D+1 0.00000 0.00479 0.00000 0.00000 0.05172
|
|
202 10D-1 0.00000 0.00813 0.00000 0.00000 0.18222
|
|
203 10D+2 0.05192 0.00000 -0.06594 -0.10051 0.00000
|
|
204 10D-2 0.10293 0.00000 0.00938 -0.04456 0.00000
|
|
205 11D 0 0.06184 0.00000 -0.29549 -0.00055 0.00000
|
|
206 11D+1 0.00000 -0.03268 0.00000 0.00000 0.12950
|
|
207 11D-1 0.00000 0.03742 0.00000 0.00000 -0.13001
|
|
208 11D+2 -0.19313 0.00000 0.41283 0.16277 0.00000
|
|
209 11D-2 -0.10723 0.00000 -0.25993 0.07058 0.00000
|
|
210 12D 0 0.07337 0.00000 -0.56326 -0.27543 0.00000
|
|
211 12D+1 0.00000 0.14214 0.00000 0.00000 0.26485
|
|
212 12D-1 0.00000 -0.03426 0.00000 0.00000 0.10009
|
|
213 12D+2 -0.12752 0.00000 1.03273 0.38984 0.00000
|
|
214 12D-2 -0.05113 0.00000 -0.70208 -0.17092 0.00000
|
|
215 13F 0 0.00000 0.28316 0.00000 0.00000 -0.17409
|
|
216 13F+1 -0.01167 0.00000 0.14111 0.16375 0.00000
|
|
217 13F-1 -0.27172 0.00000 -0.16640 0.66793 0.00000
|
|
218 13F+2 0.00000 0.10956 0.00000 0.00000 -0.13066
|
|
219 13F-2 0.00000 0.02063 0.00000 0.00000 0.22818
|
|
220 13F+3 0.03406 0.00000 -0.31611 0.07603 0.00000
|
|
221 13F-3 0.04263 0.00000 0.15781 0.13444 0.00000
|
|
222 14F 0 0.00000 -0.21698 0.00000 0.00000 0.02613
|
|
223 14F+1 -0.00801 0.00000 -0.31856 -0.19194 0.00000
|
|
224 14F-1 0.14787 0.00000 0.16965 -0.37769 0.00000
|
|
225 14F+2 0.00000 0.01906 0.00000 0.00000 0.24240
|
|
226 14F-2 0.00000 0.00847 0.00000 0.00000 -0.11059
|
|
227 14F+3 0.00242 0.00000 0.50621 0.02514 0.00000
|
|
228 14F-3 -0.07922 0.00000 -0.44067 -0.09697 0.00000
|
|
229 15G 0 -0.03238 0.00000 0.11810 -0.15422 0.00000
|
|
230 15G+1 0.00000 -0.08830 0.00000 0.00000 0.12601
|
|
231 15G-1 0.00000 -0.17953 0.00000 0.00000 -0.10357
|
|
232 15G+2 0.04393 0.00000 -0.00693 -0.21578 0.00000
|
|
233 15G-2 0.11753 0.00000 0.11919 0.06049 0.00000
|
|
234 15G+3 0.00000 -0.10188 0.00000 0.00000 0.09925
|
|
235 15G-3 0.00000 0.04981 0.00000 0.00000 -0.20455
|
|
236 15G+4 -0.02128 0.00000 0.11693 -0.07393 0.00000
|
|
237 15G-4 0.02773 0.00000 -0.10719 0.04662 0.00000
|
|
238 4 H 1S -0.13108 0.00000 0.12468 0.16382 0.00000
|
|
239 2S 0.63113 0.00000 -0.62766 -0.75114 0.00000
|
|
240 3S -1.48219 0.00000 0.91122 1.10078 0.00000
|
|
241 4S -0.93398 0.00000 0.01412 0.26450 0.00000
|
|
242 5S -0.06186 0.00000 0.00066 -0.00521 0.00000
|
|
243 6PX -0.02233 0.00000 -0.04929 0.02542 0.00000
|
|
244 6PY -0.00667 0.00000 -0.00010 0.00873 0.00000
|
|
245 6PZ 0.00000 0.01771 0.00000 0.00000 -0.06313
|
|
246 7PX -0.17837 0.00000 0.16329 0.16497 0.00000
|
|
247 7PY 0.04658 0.00000 -0.07689 -0.07884 0.00000
|
|
248 7PZ 0.00000 -0.01124 0.00000 0.00000 0.06736
|
|
249 8PX 1.07552 0.00000 -0.41411 -1.25265 0.00000
|
|
250 8PY -0.31645 0.00000 0.45549 -0.27144 0.00000
|
|
251 8PZ 0.00000 -0.22257 0.00000 0.00000 0.32630
|
|
252 9PX 0.69561 0.00000 -0.05092 -0.38506 0.00000
|
|
253 9PY -0.10181 0.00000 0.13710 -0.04268 0.00000
|
|
254 9PZ 0.00000 -0.02077 0.00000 0.00000 0.07399
|
|
255 10D 0 0.11375 0.00000 -0.24615 0.00805 0.00000
|
|
256 10D+1 0.00000 -0.08488 0.00000 0.00000 0.49320
|
|
257 10D-1 0.00000 0.06573 0.00000 0.00000 0.02727
|
|
258 10D+2 0.04942 0.00000 0.06261 -0.05478 0.00000
|
|
259 10D-2 -0.01174 0.00000 0.10840 -0.12234 0.00000
|
|
260 11D 0 0.03378 0.00000 0.09732 -0.14619 0.00000
|
|
261 11D+1 0.00000 0.15737 0.00000 0.00000 -0.54083
|
|
262 11D-1 0.00000 -0.08550 0.00000 0.00000 0.04630
|
|
263 11D+2 -0.16302 0.00000 -0.03839 0.36753 0.00000
|
|
264 11D-2 0.09676 0.00000 -0.18322 0.22031 0.00000
|
|
265 12D 0 0.28739 0.00000 -0.13062 -0.33775 0.00000
|
|
266 12D+1 0.00000 0.11441 0.00000 0.00000 -0.07886
|
|
267 12D-1 0.00000 -0.00839 0.00000 0.00000 -0.04152
|
|
268 12D+2 -0.47926 0.00000 0.02970 0.57875 0.00000
|
|
269 12D-2 0.26507 0.00000 -0.07456 0.05080 0.00000
|
|
270 13F 0 0.00000 -0.02728 0.00000 0.00000 -0.06029
|
|
271 13F+1 0.12794 0.00000 0.11341 0.03001 0.00000
|
|
272 13F-1 0.35481 0.00000 -0.32638 0.08417 0.00000
|
|
273 13F+2 0.00000 0.04921 0.00000 0.00000 -0.44108
|
|
274 13F-2 0.00000 -0.10293 0.00000 0.00000 0.04541
|
|
275 13F+3 0.05434 0.00000 -0.28274 0.16726 0.00000
|
|
276 13F-3 -0.01340 0.00000 0.03754 0.08781 0.00000
|
|
277 14F 0 0.00000 0.06628 0.00000 0.00000 -0.02418
|
|
278 14F+1 -0.21169 0.00000 -0.01562 0.16555 0.00000
|
|
279 14F-1 -0.17666 0.00000 0.17489 -0.04522 0.00000
|
|
280 14F+2 0.00000 -0.09211 0.00000 0.00000 0.37316
|
|
281 14F-2 0.00000 0.10548 0.00000 0.00000 -0.06561
|
|
282 14F+3 0.07624 0.00000 0.17946 -0.38462 0.00000
|
|
283 14F-3 -0.11294 0.00000 0.01432 -0.09571 0.00000
|
|
284 15G 0 0.01849 0.00000 -0.02020 -0.01518 0.00000
|
|
285 15G+1 0.00000 0.00937 0.00000 0.00000 -0.05351
|
|
286 15G-1 0.00000 0.06009 0.00000 0.00000 0.11484
|
|
287 15G+2 0.18187 0.00000 -0.12497 -0.00825 0.00000
|
|
288 15G-2 0.09145 0.00000 -0.07543 0.11969 0.00000
|
|
289 15G+3 0.00000 0.05420 0.00000 0.00000 -0.11156
|
|
290 15G-3 0.00000 -0.02398 0.00000 0.00000 0.25811
|
|
291 15G+4 0.02377 0.00000 -0.21308 0.11998 0.00000
|
|
292 15G-4 0.00901 0.00000 -0.00511 -0.04066 0.00000
|
|
293 5 H 1S -0.13827 -0.16315 -0.03684 -0.00297 -0.04969
|
|
294 2S 0.19507 0.83133 0.29035 -0.04895 0.23761
|
|
295 3S -2.25906 -2.33566 -1.65162 -0.68252 -0.70879
|
|
296 4S -0.22346 -2.19452 -1.23304 0.44300 -0.61881
|
|
297 5S -0.08072 -0.03149 0.04534 -0.04614 -0.01067
|
|
298 6PX -0.01655 -0.01232 0.00299 0.00625 0.02715
|
|
299 6PY -0.02171 -0.01072 -0.00450 -0.00316 -0.00738
|
|
300 6PZ -0.03968 0.00082 0.00241 0.00622 -0.01965
|
|
301 7PX 0.01262 -0.12503 -0.04903 0.03649 -0.00387
|
|
302 7PY -0.00280 -0.07266 -0.01641 0.00964 -0.01871
|
|
303 7PZ 0.03107 -0.23095 -0.06952 0.07387 -0.07248
|
|
304 8PX -0.00117 0.94288 0.53479 0.01377 0.52391
|
|
305 8PY 0.24199 0.64710 0.18687 -0.01136 0.27948
|
|
306 8PZ 0.98486 1.52128 0.66889 -0.45414 0.31536
|
|
307 9PX 0.09774 0.73929 0.35292 -0.10536 0.19406
|
|
308 9PY 0.05640 0.59942 0.21666 0.09512 0.24993
|
|
309 9PZ 0.38317 1.27689 0.55557 -0.44243 0.38370
|
|
310 10D 0 0.02190 0.03223 0.01746 -0.00805 0.03992
|
|
311 10D+1 -0.01628 0.08326 0.08103 0.04494 -0.00662
|
|
312 10D-1 0.00085 0.07821 -0.03011 -0.05113 -0.05735
|
|
313 10D+2 0.05182 -0.04954 -0.06611 -0.09159 -0.03923
|
|
314 10D-2 0.03723 -0.00511 0.01446 -0.03323 0.13583
|
|
315 11D 0 -0.18441 -0.24527 -0.07092 0.06253 0.03827
|
|
316 11D+1 -0.00353 -0.28450 -0.20189 -0.05191 -0.15932
|
|
317 11D-1 -0.05195 -0.24949 -0.03130 0.08664 -0.02187
|
|
318 11D+2 -0.01144 -0.02113 -0.05645 0.02305 -0.04496
|
|
319 11D-2 0.01707 -0.12128 -0.05796 0.02245 -0.17758
|
|
320 12D 0 -0.23828 -0.61423 -0.13704 0.37246 -0.05582
|
|
321 12D+1 -0.01468 -0.66751 -0.30718 0.23068 -0.29023
|
|
322 12D-1 -0.12893 -0.50453 -0.04125 0.16063 -0.22093
|
|
323 12D+2 -0.05583 -0.13109 -0.14005 0.03887 -0.06618
|
|
324 12D-2 0.01363 -0.33011 -0.12486 0.08055 -0.09900
|
|
325 13F 0 -0.12326 -0.13268 -0.09045 0.08954 -0.11028
|
|
326 13F+1 0.25112 -0.09554 -0.10456 -0.02886 -0.05654
|
|
327 13F-1 -0.08425 -0.16229 0.11940 0.09580 0.12291
|
|
328 13F+2 -0.23056 -0.18489 -0.13093 -0.02846 0.10598
|
|
329 13F-2 -0.32594 -0.34144 -0.22180 -0.06981 -0.25524
|
|
330 13F+3 -0.10760 -0.09251 0.08557 0.00222 -0.12336
|
|
331 13F-3 0.43675 0.29711 0.11152 0.37787 -0.11867
|
|
332 14F 0 0.12022 0.23798 0.04500 -0.10239 -0.00431
|
|
333 14F+1 -0.11599 0.32269 0.16186 -0.04448 0.14067
|
|
334 14F-1 0.10732 0.32747 -0.02120 -0.13011 -0.00827
|
|
335 14F+2 0.13645 0.18377 0.21646 0.03187 -0.00915
|
|
336 14F-2 0.18228 0.41810 0.20684 -0.01283 0.24737
|
|
337 14F+3 0.08045 0.04003 0.00017 0.01774 0.09715
|
|
338 14F-3 -0.25256 -0.07751 -0.00557 -0.22628 0.11251
|
|
339 15G 0 0.00707 0.04331 -0.01986 0.02538 0.01367
|
|
340 15G+1 -0.13229 -0.00218 0.05161 0.05378 -0.08603
|
|
341 15G-1 -0.03302 -0.10678 -0.05388 -0.04028 0.10706
|
|
342 15G+2 0.06048 -0.10696 -0.08499 -0.07046 0.09285
|
|
343 15G-2 0.06185 -0.07143 -0.12075 0.04463 -0.07873
|
|
344 15G+3 0.05233 0.08198 0.03969 0.04890 0.00761
|
|
345 15G-3 -0.02898 -0.09677 0.10176 -0.00547 -0.05048
|
|
346 15G+4 0.02606 -0.07858 -0.01559 -0.07390 -0.00437
|
|
347 15G-4 -0.00417 0.11807 -0.11147 -0.04311 -0.18703
|
|
348 6 H 1S -0.13827 0.16315 -0.03684 -0.00297 0.04969
|
|
349 2S 0.19507 -0.83133 0.29035 -0.04895 -0.23761
|
|
350 3S -2.25906 2.33566 -1.65162 -0.68252 0.70879
|
|
351 4S -0.22346 2.19452 -1.23304 0.44300 0.61881
|
|
352 5S -0.08072 0.03149 0.04534 -0.04614 0.01067
|
|
353 6PX -0.01655 0.01232 0.00299 0.00625 -0.02715
|
|
354 6PY -0.02171 0.01072 -0.00450 -0.00316 0.00738
|
|
355 6PZ 0.03968 0.00082 -0.00241 -0.00622 -0.01965
|
|
356 7PX 0.01262 0.12503 -0.04903 0.03649 0.00387
|
|
357 7PY -0.00280 0.07266 -0.01641 0.00964 0.01871
|
|
358 7PZ -0.03107 -0.23095 0.06952 -0.07387 -0.07248
|
|
359 8PX -0.00117 -0.94288 0.53479 0.01377 -0.52391
|
|
360 8PY 0.24199 -0.64710 0.18687 -0.01136 -0.27948
|
|
361 8PZ -0.98486 1.52128 -0.66889 0.45414 0.31536
|
|
362 9PX 0.09774 -0.73929 0.35292 -0.10536 -0.19406
|
|
363 9PY 0.05640 -0.59942 0.21666 0.09512 -0.24993
|
|
364 9PZ -0.38317 1.27689 -0.55557 0.44243 0.38370
|
|
365 10D 0 0.02190 -0.03223 0.01746 -0.00805 -0.03992
|
|
366 10D+1 0.01628 0.08326 -0.08103 -0.04494 -0.00662
|
|
367 10D-1 -0.00085 0.07821 0.03011 0.05113 -0.05735
|
|
368 10D+2 0.05182 0.04954 -0.06611 -0.09159 0.03923
|
|
369 10D-2 0.03723 0.00511 0.01446 -0.03323 -0.13583
|
|
370 11D 0 -0.18441 0.24527 -0.07092 0.06253 -0.03827
|
|
371 11D+1 0.00353 -0.28450 0.20189 0.05191 -0.15932
|
|
372 11D-1 0.05195 -0.24949 0.03130 -0.08664 -0.02187
|
|
373 11D+2 -0.01144 0.02113 -0.05645 0.02305 0.04496
|
|
374 11D-2 0.01707 0.12128 -0.05796 0.02245 0.17758
|
|
375 12D 0 -0.23828 0.61423 -0.13704 0.37246 0.05582
|
|
376 12D+1 0.01468 -0.66751 0.30718 -0.23068 -0.29023
|
|
377 12D-1 0.12893 -0.50453 0.04125 -0.16063 -0.22093
|
|
378 12D+2 -0.05583 0.13109 -0.14005 0.03887 0.06618
|
|
379 12D-2 0.01363 0.33011 -0.12486 0.08055 0.09900
|
|
380 13F 0 0.12326 -0.13268 0.09045 -0.08954 -0.11028
|
|
381 13F+1 0.25112 0.09554 -0.10456 -0.02886 0.05654
|
|
382 13F-1 -0.08425 0.16229 0.11940 0.09580 -0.12291
|
|
383 13F+2 0.23056 -0.18489 0.13093 0.02846 0.10598
|
|
384 13F-2 0.32594 -0.34144 0.22180 0.06981 -0.25524
|
|
385 13F+3 -0.10760 0.09251 0.08557 0.00222 0.12336
|
|
386 13F-3 0.43675 -0.29711 0.11152 0.37787 0.11867
|
|
387 14F 0 -0.12022 0.23798 -0.04500 0.10239 -0.00431
|
|
388 14F+1 -0.11599 -0.32269 0.16186 -0.04448 -0.14067
|
|
389 14F-1 0.10732 -0.32747 -0.02120 -0.13011 0.00827
|
|
390 14F+2 -0.13645 0.18377 -0.21646 -0.03187 -0.00915
|
|
391 14F-2 -0.18228 0.41810 -0.20684 0.01283 0.24737
|
|
392 14F+3 0.08045 -0.04003 0.00017 0.01774 -0.09715
|
|
393 14F-3 -0.25256 0.07751 -0.00557 -0.22628 -0.11251
|
|
394 15G 0 0.00707 -0.04331 -0.01986 0.02538 -0.01367
|
|
395 15G+1 0.13229 -0.00218 -0.05161 -0.05378 -0.08603
|
|
396 15G-1 0.03302 -0.10678 0.05388 0.04028 0.10706
|
|
397 15G+2 0.06048 0.10696 -0.08499 -0.07046 -0.09285
|
|
398 15G-2 0.06185 0.07143 -0.12075 0.04463 0.07873
|
|
399 15G+3 -0.05233 0.08198 -0.03969 -0.04890 0.00761
|
|
400 15G-3 0.02898 -0.09677 -0.10176 0.00547 -0.05048
|
|
401 15G+4 0.02606 0.07858 -0.01559 -0.07390 0.00437
|
|
402 15G-4 -0.00417 -0.11807 -0.11147 -0.04311 0.18703
|
|
286 287 288 289 290
|
|
V V V V V
|
|
Eigenvalues -- 13.16739 13.26059 13.32782 13.36745 13.38590
|
|
1 1 C 1S 0.00000 0.01787 0.01319 0.00000 0.00000
|
|
2 2S 0.00000 -0.02090 -0.05906 0.00000 0.00000
|
|
3 3S 0.00000 0.41096 -0.10074 0.00000 0.00000
|
|
4 4S 0.00000 -4.49858 -1.15272 0.00000 0.00000
|
|
5 5S 0.00000 5.50804 1.47007 0.00000 0.00000
|
|
6 6S 0.00000 0.56429 -0.36429 0.00000 0.00000
|
|
7 7PX 0.00000 -0.07873 -0.04632 0.00000 0.00000
|
|
8 7PY 0.00000 0.27835 0.21954 0.00000 0.00000
|
|
9 7PZ 0.02672 0.00000 0.00000 -0.05838 0.06755
|
|
10 8PX 0.00000 0.35618 0.00005 0.00000 0.00000
|
|
11 8PY 0.00000 -0.46492 -0.55922 0.00000 0.00000
|
|
12 8PZ -0.16563 0.00000 0.00000 0.10795 -0.15188
|
|
13 9PX 0.00000 -1.69235 1.93546 0.00000 0.00000
|
|
14 9PY 0.00000 -2.98257 -0.46778 0.00000 0.00000
|
|
15 9PZ 0.18185 0.00000 0.00000 0.51241 -0.76850
|
|
16 10PX 0.00000 -0.76560 0.83030 0.00000 0.00000
|
|
17 10PY 0.00000 -2.52010 0.81794 0.00000 0.00000
|
|
18 10PZ 0.15698 0.00000 0.00000 0.78465 -0.06787
|
|
19 11PX 0.00000 0.05860 0.05929 0.00000 0.00000
|
|
20 11PY 0.00000 -0.26738 0.01007 0.00000 0.00000
|
|
21 11PZ -0.00639 0.00000 0.00000 0.01971 -0.05129
|
|
22 12D 0 0.00000 0.51925 0.17907 0.00000 0.00000
|
|
23 12D+1 0.00152 0.00000 0.00000 -0.17796 -0.04491
|
|
24 12D-1 -0.03687 0.00000 0.00000 -0.00870 0.44669
|
|
25 12D+2 0.00000 0.82333 0.55303 0.00000 0.00000
|
|
26 12D-2 0.00000 0.19453 -0.22989 0.00000 0.00000
|
|
27 13D 0 0.00000 -0.77122 -0.22574 0.00000 0.00000
|
|
28 13D+1 -0.05683 0.00000 0.00000 0.25660 -0.06766
|
|
29 13D-1 0.01412 0.00000 0.00000 0.01311 -0.75253
|
|
30 13D+2 0.00000 -1.15900 -0.91369 0.00000 0.00000
|
|
31 13D-2 0.00000 -0.39850 0.40947 0.00000 0.00000
|
|
32 14D 0 0.00000 -1.13899 -0.12052 0.00000 0.00000
|
|
33 14D+1 -0.28465 0.00000 0.00000 -0.10331 0.55271
|
|
34 14D-1 -0.21427 0.00000 0.00000 -0.22352 1.52688
|
|
35 14D+2 0.00000 -1.39850 0.11492 0.00000 0.00000
|
|
36 14D-2 0.00000 0.48085 -0.89056 0.00000 0.00000
|
|
37 15D 0 0.00000 -0.49995 0.61292 0.00000 0.00000
|
|
38 15D+1 0.05918 0.00000 0.00000 0.28452 -0.40758
|
|
39 15D-1 -0.03989 0.00000 0.00000 0.42621 0.45642
|
|
40 15D+2 0.00000 -0.55201 -0.03638 0.00000 0.00000
|
|
41 15D-2 0.00000 -0.02262 0.20322 0.00000 0.00000
|
|
42 16F 0 0.05363 0.00000 0.00000 -0.06328 -0.03668
|
|
43 16F+1 0.00000 0.02151 0.06644 0.00000 0.00000
|
|
44 16F-1 0.00000 -0.12828 0.01389 0.00000 0.00000
|
|
45 16F+2 -0.05104 0.00000 0.00000 -0.06358 -0.03386
|
|
46 16F-2 0.06835 0.00000 0.00000 0.02235 -0.04211
|
|
47 16F+3 0.00000 -0.11145 0.07901 0.00000 0.00000
|
|
48 16F-3 0.00000 -0.19726 -0.04394 0.00000 0.00000
|
|
49 17F 0 -0.19035 0.00000 0.00000 0.19165 0.07810
|
|
50 17F+1 0.00000 -0.32018 -0.19903 0.00000 0.00000
|
|
51 17F-1 0.00000 0.38561 0.09272 0.00000 0.00000
|
|
52 17F+2 0.25461 0.00000 0.00000 0.18211 0.02523
|
|
53 17F-2 -0.25026 0.00000 0.00000 -0.11997 0.11400
|
|
54 17F+3 0.00000 0.35972 -0.14959 0.00000 0.00000
|
|
55 17F-3 0.00000 0.78169 0.21626 0.00000 0.00000
|
|
56 18F 0 -0.08181 0.00000 0.00000 0.19887 0.05712
|
|
57 18F+1 0.00000 0.39916 0.34988 0.00000 0.00000
|
|
58 18F-1 0.00000 0.31344 0.17693 0.00000 0.00000
|
|
59 18F+2 0.28627 0.00000 0.00000 0.18048 0.15949
|
|
60 18F-2 0.06508 0.00000 0.00000 0.23257 -0.49971
|
|
61 18F+3 0.00000 0.06534 0.11576 0.00000 0.00000
|
|
62 18F-3 0.00000 0.34179 -0.14626 0.00000 0.00000
|
|
63 19G 0 0.00000 0.11826 0.08791 0.00000 0.00000
|
|
64 19G+1 -0.00730 0.00000 0.00000 0.01128 0.10776
|
|
65 19G-1 -0.02591 0.00000 0.00000 -0.07806 0.01499
|
|
66 19G+2 0.00000 0.15255 0.06331 0.00000 0.00000
|
|
67 19G-2 0.00000 -0.01595 -0.03321 0.00000 0.00000
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327 13F-1 -0.13455 0.11244 -0.20145 -0.22630 -0.20065
|
|
328 13F+2 -0.01715 -0.14418 -0.03219 -0.14609 -0.07798
|
|
329 13F-2 0.02365 0.11528 0.13533 -0.14693 0.13877
|
|
330 13F+3 -0.02732 -0.04893 -0.24916 -0.00365 -0.25687
|
|
331 13F-3 0.03416 0.05345 0.01842 -0.28496 -0.04842
|
|
332 14F 0 0.02848 0.06456 -0.03557 -0.00934 -0.05300
|
|
333 14F+1 -0.10204 -0.14767 -0.03228 -0.27834 -0.19049
|
|
334 14F-1 0.07406 -0.22639 0.15672 0.23508 0.14361
|
|
335 14F+2 -0.02099 0.16458 0.01311 0.08560 0.06904
|
|
336 14F-2 0.00103 -0.24035 -0.14914 0.13312 -0.17652
|
|
337 14F+3 -0.01820 0.10407 0.20317 -0.00739 0.27422
|
|
338 14F-3 -0.01104 -0.05185 -0.02644 0.18988 -0.00963
|
|
339 15G 0 0.02186 -0.01957 0.04927 0.04396 -0.17099
|
|
340 15G+1 0.05002 0.11580 -0.10994 0.13299 0.17720
|
|
341 15G-1 -0.06757 -0.05641 0.09422 -0.11259 0.05725
|
|
342 15G+2 -0.04218 -0.03956 0.21765 -0.06338 -0.05211
|
|
343 15G-2 0.04764 0.04645 0.09273 0.01938 -0.20539
|
|
344 15G+3 0.04000 -0.01698 -0.00389 -0.01975 -0.03476
|
|
345 15G-3 0.04979 0.03245 -0.09613 0.00499 -0.02034
|
|
346 15G+4 0.04346 0.05418 0.01806 0.11532 -0.28526
|
|
347 15G-4 0.06696 0.08395 -0.09688 0.11887 0.05460
|
|
348 6 H 1S 0.01710 0.12494 0.02598 0.05356 -0.05523
|
|
349 2S 0.13602 -0.58835 -0.19926 -0.05236 -0.01661
|
|
350 3S -0.26975 0.90061 -0.53387 0.44069 0.13874
|
|
351 4S -0.01518 1.12450 -0.47903 0.74789 -0.32514
|
|
352 5S -0.00574 0.03251 0.05544 -0.03703 -0.02713
|
|
353 6PX 0.00102 0.00710 -0.00364 0.00627 -0.00339
|
|
354 6PY 0.01421 -0.00290 -0.00493 -0.00857 -0.01277
|
|
355 6PZ -0.00929 -0.01398 -0.00271 -0.01420 0.00456
|
|
356 7PX -0.04500 0.07082 -0.00111 -0.01318 0.06500
|
|
357 7PY -0.02478 0.07076 0.04761 -0.04177 0.02200
|
|
358 7PZ 0.06844 -0.14109 -0.09618 0.03101 0.01234
|
|
359 8PX 0.29321 -0.33752 -0.23454 -0.01196 0.08486
|
|
360 8PY -0.02623 -0.71446 0.05221 -0.39417 0.05798
|
|
361 8PZ -0.16251 0.72816 -0.06725 -0.09631 0.11437
|
|
362 9PX 0.13978 -0.29185 0.14225 -0.12366 -0.08464
|
|
363 9PY -0.06807 -0.38018 -0.07578 -0.09980 0.22699
|
|
364 9PZ -0.04003 0.64089 -0.01498 0.16779 -0.22604
|
|
365 10D 0 -0.00095 -0.02703 0.03143 -0.02697 -0.12327
|
|
366 10D+1 -0.03273 -0.00611 0.11859 -0.17551 0.03093
|
|
367 10D-1 0.10805 0.05620 -0.11262 0.06502 -0.07712
|
|
368 10D+2 -0.06109 -0.02316 0.07598 -0.12687 0.00374
|
|
369 10D-2 0.07033 0.01073 -0.01758 -0.24712 0.10286
|
|
370 11D 0 0.00697 0.05884 -0.11488 -0.05281 0.18083
|
|
371 11D+1 0.06733 -0.08549 -0.16345 0.12287 0.07321
|
|
372 11D-1 -0.08104 -0.22697 0.11860 -0.17674 0.08153
|
|
373 11D+2 0.00838 -0.04296 0.01100 0.03255 -0.00068
|
|
374 11D-2 -0.03829 0.09026 0.04640 0.22529 -0.14643
|
|
375 12D 0 -0.00239 0.24389 0.02074 -0.06698 -0.14518
|
|
376 12D+1 0.15408 -0.33729 -0.03743 0.04253 0.15547
|
|
377 12D-1 0.00052 -0.53387 -0.02282 -0.17369 -0.03132
|
|
378 12D+2 -0.07774 -0.12296 -0.06828 0.06653 0.21168
|
|
379 12D-2 0.03548 0.28492 0.22049 0.06841 -0.22704
|
|
380 13F 0 -0.00805 0.04990 -0.12392 -0.07898 0.10423
|
|
381 13F+1 -0.12167 0.02116 0.05339 -0.41503 -0.07392
|
|
382 13F-1 0.13455 0.11244 -0.20145 0.22630 0.20065
|
|
383 13F+2 -0.01715 0.14418 0.03219 -0.14609 -0.07798
|
|
384 13F-2 0.02365 -0.11528 -0.13533 -0.14693 0.13877
|
|
385 13F+3 0.02732 -0.04893 -0.24916 0.00365 0.25687
|
|
386 13F-3 -0.03416 0.05345 0.01842 0.28496 0.04842
|
|
387 14F 0 0.02848 -0.06456 0.03557 -0.00934 -0.05300
|
|
388 14F+1 0.10204 -0.14767 -0.03228 0.27834 0.19049
|
|
389 14F-1 -0.07406 -0.22639 0.15672 -0.23508 -0.14361
|
|
390 14F+2 -0.02099 -0.16458 -0.01311 0.08560 0.06904
|
|
391 14F-2 0.00103 0.24035 0.14914 0.13312 -0.17652
|
|
392 14F+3 0.01820 0.10407 0.20317 0.00739 -0.27422
|
|
393 14F-3 0.01104 -0.05185 -0.02644 -0.18988 0.00963
|
|
394 15G 0 -0.02186 -0.01957 0.04927 -0.04396 0.17099
|
|
395 15G+1 0.05002 -0.11580 0.10994 0.13299 0.17720
|
|
396 15G-1 -0.06757 0.05641 -0.09422 -0.11259 0.05725
|
|
397 15G+2 0.04218 -0.03956 0.21765 0.06338 0.05211
|
|
398 15G-2 -0.04764 0.04645 0.09273 -0.01938 0.20539
|
|
399 15G+3 0.04000 0.01698 0.00389 -0.01975 -0.03476
|
|
400 15G-3 0.04979 -0.03245 0.09613 0.00499 -0.02034
|
|
401 15G+4 -0.04346 0.05418 0.01806 -0.11532 0.28526
|
|
402 15G-4 -0.06696 0.08395 -0.09688 -0.11887 -0.05460
|
|
291 292 293 294 295
|
|
V V V V V
|
|
Eigenvalues -- 13.39758 13.50533 13.55073 13.58050 13.61409
|
|
1 1 C 1S 0.00773 0.01511 -0.00084 0.00000 0.00264
|
|
2 2S 0.02326 -0.07225 0.08171 0.00000 0.03776
|
|
3 3S 0.33977 -0.40429 0.36531 0.00000 0.32561
|
|
4 4S -2.35977 0.69925 -1.17333 0.00000 -1.57006
|
|
5 5S 2.73296 0.72306 2.41710 0.00000 1.70376
|
|
6 6S -0.15625 0.80299 0.05766 0.00000 0.32156
|
|
7 7PX 0.02429 -0.02377 -0.02841 0.00000 -0.07395
|
|
8 7PY -0.03333 -0.03922 -0.32664 0.00000 -0.20011
|
|
9 7PZ 0.00000 0.00000 0.00000 -0.08391 0.00000
|
|
10 8PX -0.15533 0.14024 0.16638 0.00000 0.21865
|
|
11 8PY 0.29038 0.59026 1.34925 0.00000 0.80017
|
|
12 8PZ 0.00000 0.00000 0.00000 0.28772 0.00000
|
|
13 9PX -0.80302 2.11076 -1.29973 0.00000 2.49730
|
|
14 9PY -1.82382 -1.99060 -1.60470 0.00000 -1.46752
|
|
15 9PZ 0.00000 0.00000 0.00000 3.10529 0.00000
|
|
16 10PX 0.29347 0.78232 -0.39020 0.00000 0.99137
|
|
17 10PY -1.12702 0.04718 -1.82903 0.00000 -1.17340
|
|
18 10PZ 0.00000 0.00000 0.00000 0.84962 0.00000
|
|
19 11PX -0.09649 0.17458 -0.02890 0.00000 0.12832
|
|
20 11PY -0.04169 -0.05680 0.01250 0.00000 -0.02623
|
|
21 11PZ 0.00000 0.00000 0.00000 0.19313 0.00000
|
|
22 12D 0 0.04032 -0.02568 -0.12578 0.00000 -0.21912
|
|
23 12D+1 0.00000 0.00000 0.00000 -0.19420 0.00000
|
|
24 12D-1 0.00000 0.00000 0.00000 0.05052 0.00000
|
|
25 12D+2 0.13572 0.19175 -0.13740 0.00000 -0.00759
|
|
26 12D-2 0.45317 -0.04510 -0.12740 0.00000 0.10473
|
|
27 13D 0 -0.15118 0.17426 0.37447 0.00000 0.54416
|
|
28 13D+1 0.00000 0.00000 0.00000 0.46289 0.00000
|
|
29 13D-1 0.00000 0.00000 0.00000 0.15727 0.00000
|
|
30 13D+2 -0.00859 -0.27116 0.49080 0.00000 0.08243
|
|
31 13D-2 -0.76113 0.17579 0.14343 0.00000 0.02492
|
|
32 14D 0 -0.26318 0.52388 -1.13807 0.00000 -0.12761
|
|
33 14D+1 0.00000 0.00000 0.00000 0.66765 0.00000
|
|
34 14D-1 0.00000 0.00000 0.00000 0.87336 0.00000
|
|
35 14D+2 -1.21355 -0.68142 -0.57234 0.00000 -1.56150
|
|
36 14D-2 0.70960 0.47564 -0.45241 0.00000 0.32833
|
|
37 15D 0 -0.06618 -0.24064 -0.38814 0.00000 -0.03710
|
|
38 15D+1 0.00000 0.00000 0.00000 -0.07358 0.00000
|
|
39 15D-1 0.00000 0.00000 0.00000 0.36778 0.00000
|
|
40 15D+2 -0.25338 -0.26878 -0.79217 0.00000 -0.56846
|
|
41 15D-2 0.58645 -0.01358 0.02612 0.00000 0.34080
|
|
42 16F 0 0.00000 0.00000 0.00000 0.01683 0.00000
|
|
43 16F+1 -0.04219 0.07871 -0.01717 0.00000 0.00000
|
|
44 16F-1 -0.12611 -0.05212 -0.17565 0.00000 -0.04535
|
|
45 16F+2 0.00000 0.00000 0.00000 -0.01714 0.00000
|
|
46 16F-2 0.00000 0.00000 0.00000 0.10204 0.00000
|
|
47 16F+3 -0.08861 0.04040 -0.05272 0.00000 0.01435
|
|
48 16F-3 -0.12683 -0.03457 -0.22849 0.00000 -0.21444
|
|
49 17F 0 0.00000 0.00000 0.00000 0.06304 0.00000
|
|
50 17F+1 -0.04650 -0.02543 0.13883 0.00000 -0.05015
|
|
51 17F-1 0.25599 0.32259 0.24720 0.00000 0.13160
|
|
52 17F+2 0.00000 0.00000 0.00000 0.14259 0.00000
|
|
53 17F-2 0.00000 0.00000 0.00000 -0.04903 0.00000
|
|
54 17F+3 0.12862 0.03580 0.18072 0.00000 0.12043
|
|
55 17F-3 0.36523 0.05109 0.56511 0.00000 0.44010
|
|
56 18F 0 0.00000 0.00000 0.00000 -0.03572 0.00000
|
|
57 18F+1 0.42663 -0.43386 -0.30410 0.00000 -0.07100
|
|
58 18F-1 0.08990 -0.17271 0.83655 0.00000 0.27308
|
|
59 18F+2 0.00000 0.00000 0.00000 -0.03917 0.00000
|
|
60 18F-2 0.00000 0.00000 0.00000 -0.27210 0.00000
|
|
61 18F+3 0.13534 0.01435 0.15725 0.00000 -0.02418
|
|
62 18F-3 0.26829 0.81299 0.52340 0.00000 0.38531
|
|
63 19G 0 -0.19339 -0.08937 0.01693 0.00000 -0.07267
|
|
64 19G+1 0.00000 0.00000 0.00000 -0.01676 0.00000
|
|
65 19G-1 0.00000 0.00000 0.00000 -0.02064 0.00000
|
|
66 19G+2 0.04533 0.04292 -0.05398 0.00000 -0.03887
|
|
67 19G-2 0.01452 -0.02360 0.03008 0.00000 -0.01125
|
|
68 19G+3 0.00000 0.00000 0.00000 -0.10905 0.00000
|
|
69 19G-3 0.00000 0.00000 0.00000 -0.03099 0.00000
|
|
70 19G+4 0.17916 0.04140 -0.00719 0.00000 0.10018
|
|
71 19G-4 0.07046 -0.10184 -0.04111 0.00000 0.05480
|
|
72 20G 0 0.64510 0.39438 0.11035 0.00000 0.48194
|
|
73 20G+1 0.00000 0.00000 0.00000 -0.05712 0.00000
|
|
74 20G-1 0.00000 0.00000 0.00000 0.12164 0.00000
|
|
75 20G+2 0.04163 0.15192 0.45746 0.00000 0.24503
|
|
76 20G-2 0.01510 -0.21110 -0.23561 0.00000 0.12273
|
|
77 20G+3 0.00000 0.00000 0.00000 0.41114 0.00000
|
|
78 20G-3 0.00000 0.00000 0.00000 0.17772 0.00000
|
|
79 20G+4 -0.30068 0.28245 0.08728 0.00000 -0.10151
|
|
80 20G-4 -0.28226 0.25847 0.00242 0.00000 0.03821
|
|
81 21H 0 0.00000 0.00000 0.00000 0.19474 0.00000
|
|
82 21H+1 0.05113 0.07656 0.06062 0.00000 -0.00348
|
|
83 21H-1 0.14372 0.01812 -0.21380 0.00000 -0.15083
|
|
84 21H+2 0.00000 0.00000 0.00000 0.15215 0.00000
|
|
85 21H-2 0.00000 0.00000 0.00000 0.02121 0.00000
|
|
86 21H+3 -0.14664 0.21916 0.11919 0.00000 0.08618
|
|
87 21H-3 -0.15800 -0.15584 -0.07528 0.00000 -0.00637
|
|
88 21H+4 0.00000 0.00000 0.00000 0.17746 0.00000
|
|
89 21H-4 0.00000 0.00000 0.00000 -0.02820 0.00000
|
|
90 21H+5 -0.11421 -0.07046 0.00691 0.00000 0.28694
|
|
91 21H-5 -0.03674 -0.20280 -0.21958 0.00000 0.05299
|
|
92 2 O 1S -0.00682 -0.00318 -0.01724 0.00000 -0.01019
|
|
93 2S 0.02855 0.08820 0.21467 0.00000 0.06820
|
|
94 3S 0.06771 0.35075 0.92087 0.00000 0.26096
|
|
95 4S 0.34997 -0.15490 -1.33138 0.00000 -0.11589
|
|
96 5S -1.55540 -1.12093 -2.33388 0.00000 -1.71203
|
|
97 6S -1.47459 0.22500 -1.25329 0.00000 -1.01649
|
|
98 7PX 0.02037 -0.10065 0.05338 0.00000 0.09264
|
|
99 7PY 0.04401 0.00217 -0.03479 0.00000 0.00749
|
|
100 7PZ 0.00000 0.00000 0.00000 -0.00239 0.00000
|
|
101 8PX -0.08630 0.11518 -0.14440 0.00000 -0.14267
|
|
102 8PY 0.07591 0.13582 0.38492 0.00000 0.18065
|
|
103 8PZ 0.00000 0.00000 0.00000 0.04952 0.00000
|
|
104 9PX -0.00122 0.00777 -0.34743 0.00000 0.03132
|
|
105 9PY -0.34951 -0.40286 -1.65131 0.00000 -0.88288
|
|
106 9PZ 0.00000 0.00000 0.00000 -0.17364 0.00000
|
|
107 10PX 0.91298 0.25383 0.42497 0.00000 0.08556
|
|
108 10PY -2.03531 -0.56618 -1.01260 0.00000 -0.90761
|
|
109 10PZ 0.00000 0.00000 0.00000 -0.02338 0.00000
|
|
110 11PX 0.05929 0.22655 -0.13984 0.00000 0.06082
|
|
111 11PY -0.28111 -0.19710 0.00629 0.00000 -0.18986
|
|
112 11PZ 0.00000 0.00000 0.00000 -0.04068 0.00000
|
|
113 12D 0 0.00415 -0.00231 0.01076 0.00000 0.00800
|
|
114 12D+1 0.00000 0.00000 0.00000 0.00005 0.00000
|
|
115 12D-1 0.00000 0.00000 0.00000 -0.01541 0.00000
|
|
116 12D+2 0.02146 -0.00154 0.03960 0.00000 0.02173
|
|
117 12D-2 0.02087 -0.03619 0.00315 0.00000 -0.00255
|
|
118 13D 0 -0.10234 -0.02291 0.02002 0.00000 -0.06350
|
|
119 13D+1 0.00000 0.00000 0.00000 -0.01822 0.00000
|
|
120 13D-1 0.00000 0.00000 0.00000 0.00476 0.00000
|
|
121 13D+2 -0.06142 -0.11671 0.08428 0.00000 0.01099
|
|
122 13D-2 -0.10162 -0.02939 -0.00121 0.00000 -0.02290
|
|
123 14D 0 0.36902 0.29273 0.24588 0.00000 0.27674
|
|
124 14D+1 0.00000 0.00000 0.00000 0.02888 0.00000
|
|
125 14D-1 0.00000 0.00000 0.00000 -0.11465 0.00000
|
|
126 14D+2 0.31722 0.65707 0.21213 0.00000 0.35979
|
|
127 14D-2 0.33427 0.38038 -0.28553 0.00000 -0.08660
|
|
128 15D 0 0.18981 -0.11877 -0.10942 0.00000 0.05083
|
|
129 15D+1 0.00000 0.00000 0.00000 -0.15543 0.00000
|
|
130 15D-1 0.00000 0.00000 0.00000 0.03575 0.00000
|
|
131 15D+2 0.67518 0.54400 -0.33507 0.00000 0.18962
|
|
132 15D-2 0.08171 -0.18716 -0.11830 0.00000 -0.04983
|
|
133 16F 0 0.00000 0.00000 0.00000 -0.00634 0.00000
|
|
134 16F+1 0.01400 -0.01300 0.02292 0.00000 0.01778
|
|
135 16F-1 0.00158 0.00856 -0.03187 0.00000 -0.00359
|
|
136 16F+2 0.00000 0.00000 0.00000 0.00325 0.00000
|
|
137 16F-2 0.00000 0.00000 0.00000 0.01049 0.00000
|
|
138 16F+3 -0.00877 -0.01196 -0.00726 0.00000 0.00411
|
|
139 16F-3 0.01146 -0.01134 0.00503 0.00000 -0.00022
|
|
140 17F 0 0.00000 0.00000 0.00000 0.04201 0.00000
|
|
141 17F+1 -0.01422 -0.00005 0.00873 0.00000 -0.02123
|
|
142 17F-1 0.06642 0.11513 0.11437 0.00000 0.10237
|
|
143 17F+2 0.00000 0.00000 0.00000 0.07849 0.00000
|
|
144 17F-2 0.00000 0.00000 0.00000 0.03492 0.00000
|
|
145 17F+3 -0.05272 -0.05529 0.03114 0.00000 0.13764
|
|
146 17F-3 0.10975 0.11794 0.10397 0.00000 0.05434
|
|
147 18F 0 0.00000 0.00000 0.00000 0.05423 0.00000
|
|
148 18F+1 -0.04070 0.03662 -0.15726 0.00000 0.05105
|
|
149 18F-1 0.17733 -0.06489 0.13173 0.00000 0.03841
|
|
150 18F+2 0.00000 0.00000 0.00000 -0.05015 0.00000
|
|
151 18F-2 0.00000 0.00000 0.00000 -0.01343 0.00000
|
|
152 18F+3 -0.05928 0.30644 -0.37217 0.00000 0.07919
|
|
153 18F-3 -0.00409 0.37183 -0.50319 0.00000 -0.00618
|
|
154 19G 0 0.00065 -0.00466 0.01295 0.00000 0.01252
|
|
155 19G+1 0.00000 0.00000 0.00000 0.00108 0.00000
|
|
156 19G-1 0.00000 0.00000 0.00000 -0.01660 0.00000
|
|
157 19G+2 0.01837 0.00527 0.00481 0.00000 0.01012
|
|
158 19G-2 0.01983 -0.03401 0.00480 0.00000 0.00943
|
|
159 19G+3 0.00000 0.00000 0.00000 -0.00220 0.00000
|
|
160 19G-3 0.00000 0.00000 0.00000 -0.01794 0.00000
|
|
161 19G+4 -0.02098 0.08409 -0.00773 0.00000 -0.02484
|
|
162 19G-4 0.01435 0.00868 -0.00024 0.00000 -0.02139
|
|
163 20G 0 -0.05299 -0.02028 -0.01976 0.00000 -0.03858
|
|
164 20G+1 0.00000 0.00000 0.00000 -0.00376 0.00000
|
|
165 20G-1 0.00000 0.00000 0.00000 0.04547 0.00000
|
|
166 20G+2 -0.03583 -0.03667 -0.03697 0.00000 -0.01423
|
|
167 20G-2 0.00236 0.02018 -0.03439 0.00000 0.03565
|
|
168 20G+3 0.00000 0.00000 0.00000 -0.03788 0.00000
|
|
169 20G-3 0.00000 0.00000 0.00000 0.03966 0.00000
|
|
170 20G+4 0.09294 -0.18794 0.05005 0.00000 0.14278
|
|
171 20G-4 -0.00948 0.01908 -0.13319 0.00000 0.10538
|
|
172 21H 0 0.00000 0.00000 0.00000 0.06518 0.00000
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173 21H+1 0.00841 -0.06148 0.05404 0.00000 0.12854
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|
174 21H-1 0.01089 0.10083 -0.11015 0.00000 0.02889
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175 21H+2 0.00000 0.00000 0.00000 0.08445 0.00000
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176 21H-2 0.00000 0.00000 0.00000 0.00140 0.00000
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177 21H+3 0.06060 -0.07678 0.03044 0.00000 0.08685
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178 21H-3 -0.01129 -0.04326 0.05868 0.00000 0.00025
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179 21H+4 0.00000 0.00000 0.00000 0.03741 0.00000
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180 21H-4 0.00000 0.00000 0.00000 -0.01512 0.00000
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181 21H+5 -0.10579 0.25182 -0.13546 0.00000 -0.07864
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182 21H-5 -0.01337 0.02279 0.00489 0.00000 -0.07663
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183 3 H 1S 0.02998 0.08985 0.13719 0.00000 -0.00320
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184 2S -0.14437 -0.37454 0.17166 0.00000 -0.51345
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185 3S -0.01949 2.08959 -1.17177 0.00000 2.52957
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186 4S 0.40499 0.79165 -0.19642 0.00000 1.82800
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187 5S -0.08698 0.12242 -0.02756 0.00000 0.03393
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188 6PX -0.01012 -0.02621 -0.04685 0.00000 0.04851
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189 6PY -0.02748 0.02673 0.00903 0.00000 0.00288
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190 6PZ 0.00000 0.00000 0.00000 0.04918 0.00000
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191 7PX -0.01555 -0.05490 0.19429 0.00000 -0.29345
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192 7PY -0.02479 0.09493 -0.04638 0.00000 0.01356
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193 7PZ 0.00000 0.00000 0.00000 -0.00998 0.00000
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194 8PX -0.10427 1.23493 -0.89892 0.00000 1.44373
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195 8PY -0.23586 -0.26068 0.11820 0.00000 -0.83351
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196 8PZ 0.00000 0.00000 0.00000 -0.12552 0.00000
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197 9PX 0.04118 0.59768 -0.30524 0.00000 1.03928
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198 9PY 0.18552 -0.44721 0.09565 0.00000 -0.22083
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199 9PZ 0.00000 0.00000 0.00000 -0.18110 0.00000
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200 10D 0 -0.16077 0.05166 0.08216 0.00000 0.10904
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201 10D+1 0.00000 0.00000 0.00000 0.33705 0.00000
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202 10D-1 0.00000 0.00000 0.00000 -0.07833 0.00000
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203 10D+2 -0.11197 -0.04878 -0.02481 0.00000 0.29035
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204 10D-2 0.05911 -0.17005 0.00940 0.00000 0.03352
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|
205 11D 0 0.12667 -0.05351 -0.01430 0.00000 -0.17862
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206 11D+1 0.00000 0.00000 0.00000 -0.29670 0.00000
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207 11D-1 0.00000 0.00000 0.00000 0.08305 0.00000
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|
208 11D+2 -0.00055 0.25805 -0.04273 0.00000 -0.23553
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209 11D-2 -0.12966 0.19026 -0.00151 0.00000 -0.27955
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210 12D 0 0.26619 -0.33473 -0.02253 0.00000 -0.20426
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211 12D+1 0.00000 0.00000 0.00000 -0.09008 0.00000
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212 12D-1 0.00000 0.00000 0.00000 -0.34802 0.00000
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|
213 12D+2 -0.01367 0.27651 -0.28762 0.00000 0.57644
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214 12D-2 -0.09016 -0.20905 0.11360 0.00000 -0.44332
|
|
215 13F 0 0.00000 0.00000 0.00000 -0.04989 0.00000
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|
216 13F+1 -0.47612 0.19748 0.15324 0.00000 -0.06815
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|
217 13F-1 0.22254 0.04247 0.03732 0.00000 0.11246
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218 13F+2 0.00000 0.00000 0.00000 0.36284 0.00000
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|
219 13F-2 0.00000 0.00000 0.00000 0.41435 0.00000
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|
220 13F+3 -0.09308 0.03306 0.23337 0.00000 -0.05596
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|
221 13F-3 0.32566 0.00683 -0.12512 0.00000 0.18774
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|
222 14F 0 0.00000 0.00000 0.00000 0.02504 0.00000
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|
223 14F+1 0.42275 -0.16702 -0.12676 0.00000 -0.02865
|
|
224 14F-1 -0.12771 -0.04530 -0.07403 0.00000 -0.08119
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|
225 14F+2 0.00000 0.00000 0.00000 -0.31219 0.00000
|
|
226 14F-2 0.00000 0.00000 0.00000 -0.37288 0.00000
|
|
227 14F+3 0.00502 0.10620 -0.21222 0.00000 0.06627
|
|
228 14F-3 -0.23933 -0.04466 0.08739 0.00000 -0.33617
|
|
229 15G 0 -0.10664 0.04235 -0.03041 0.00000 0.00863
|
|
230 15G+1 0.00000 0.00000 0.00000 -0.05426 0.00000
|
|
231 15G-1 0.00000 0.00000 0.00000 0.13263 0.00000
|
|
232 15G+2 0.22643 -0.02351 -0.03376 0.00000 -0.25270
|
|
233 15G-2 0.26925 -0.13668 -0.28930 0.00000 -0.28430
|
|
234 15G+3 0.00000 0.00000 0.00000 -0.07249 0.00000
|
|
235 15G-3 0.00000 0.00000 0.00000 -0.02836 0.00000
|
|
236 15G+4 0.10382 -0.01096 -0.19773 0.00000 -0.09272
|
|
237 15G-4 0.05078 -0.17762 0.00032 0.00000 -0.18404
|
|
238 4 H 1S -0.02099 0.16202 -0.07963 0.00000 -0.11851
|
|
239 2S 0.01187 -0.14540 -0.23107 0.00000 0.13414
|
|
240 3S -0.44554 -0.24421 -0.00422 0.00000 -0.21917
|
|
241 4S -0.03151 -0.77721 0.52077 0.00000 -0.07519
|
|
242 5S -0.02803 -0.06913 0.01512 0.00000 -0.07890
|
|
243 6PX 0.00470 0.06574 -0.03509 0.00000 -0.06420
|
|
244 6PY -0.05776 0.02071 0.00644 0.00000 -0.00426
|
|
245 6PZ 0.00000 0.00000 0.00000 -0.01155 0.00000
|
|
246 7PX -0.03024 -0.13690 0.24803 0.00000 0.11815
|
|
247 7PY 0.02713 -0.00132 -0.05135 0.00000 -0.03104
|
|
248 7PZ 0.00000 0.00000 0.00000 -0.00613 0.00000
|
|
249 8PX -0.01691 -0.02075 -0.20326 0.00000 -0.07770
|
|
250 8PY 0.00109 -0.49806 0.70740 0.00000 -0.05841
|
|
251 8PZ 0.00000 0.00000 0.00000 0.10432 0.00000
|
|
252 9PX 0.12125 0.25129 -0.27740 0.00000 0.05085
|
|
253 9PY 0.08930 -0.09644 0.18794 0.00000 -0.08281
|
|
254 9PZ 0.00000 0.00000 0.00000 0.11850 0.00000
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|
255 10D 0 0.09044 0.27364 -0.19763 0.00000 -0.16117
|
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256 10D+1 0.00000 0.00000 0.00000 -0.02150 0.00000
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257 10D-1 0.00000 0.00000 0.00000 0.00484 0.00000
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|
258 10D+2 0.11499 -0.13347 -0.02716 0.00000 0.03014
|
|
259 10D-2 0.19404 -0.56070 0.26314 0.00000 0.24577
|
|
260 11D 0 -0.09801 -0.22943 0.13060 0.00000 0.14340
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261 11D+1 0.00000 0.00000 0.00000 0.01316 0.00000
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|
262 11D-1 0.00000 0.00000 0.00000 -0.00486 0.00000
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|
263 11D+2 -0.04039 0.29010 -0.11076 0.00000 -0.04096
|
|
264 11D-2 -0.14949 0.60774 -0.40515 0.00000 -0.15239
|
|
265 12D 0 -0.07050 0.04693 -0.18229 0.00000 -0.07716
|
|
266 12D+1 0.00000 0.00000 0.00000 -0.07667 0.00000
|
|
267 12D-1 0.00000 0.00000 0.00000 0.07315 0.00000
|
|
268 12D+2 0.03086 -0.02273 0.21264 0.00000 0.15319
|
|
269 12D-2 0.01489 0.13798 -0.44695 0.00000 0.07842
|
|
270 13F 0 0.00000 0.00000 0.00000 0.00081 0.00000
|
|
271 13F+1 -0.05379 -0.01489 -0.06477 0.00000 -0.05899
|
|
272 13F-1 0.12018 0.03090 -0.01430 0.00000 0.01704
|
|
273 13F+2 0.00000 0.00000 0.00000 0.01143 0.00000
|
|
274 13F-2 0.00000 0.00000 0.00000 0.04946 0.00000
|
|
275 13F+3 -0.05755 0.17605 0.08596 0.00000 0.05433
|
|
276 13F-3 -0.11968 0.33266 -0.34158 0.00000 -0.24751
|
|
277 14F 0 0.00000 0.00000 0.00000 -0.00531 0.00000
|
|
278 14F+1 0.07211 0.02807 0.12673 0.00000 0.06191
|
|
279 14F-1 -0.10086 0.02078 -0.03667 0.00000 -0.01955
|
|
280 14F+2 0.00000 0.00000 0.00000 -0.00534 0.00000
|
|
281 14F-2 0.00000 0.00000 0.00000 -0.05482 0.00000
|
|
282 14F+3 0.00778 -0.27150 0.00112 0.00000 -0.08894
|
|
283 14F-3 0.06933 -0.34039 0.45297 0.00000 0.17549
|
|
284 15G 0 0.00275 0.03176 0.05178 0.00000 -0.03454
|
|
285 15G+1 0.00000 0.00000 0.00000 -0.01113 0.00000
|
|
286 15G-1 0.00000 0.00000 0.00000 -0.04261 0.00000
|
|
287 15G+2 0.04892 0.03940 -0.12705 0.00000 -0.03895
|
|
288 15G-2 0.11887 -0.07185 0.02581 0.00000 0.12658
|
|
289 15G+3 0.00000 0.00000 0.00000 -0.01195 0.00000
|
|
290 15G-3 0.00000 0.00000 0.00000 0.01352 0.00000
|
|
291 15G+4 0.01014 0.15273 -0.14465 0.00000 -0.00384
|
|
292 15G-4 0.00448 -0.05167 -0.07919 0.00000 -0.04150
|
|
293 5 H 1S 0.05081 0.10451 0.10731 0.00391 0.00294
|
|
294 2S -0.25284 0.19689 -0.05580 0.50916 0.18973
|
|
295 3S 0.04436 -0.46603 0.31610 -2.28164 -0.87484
|
|
296 4S 0.51053 -1.03473 0.53699 -1.47005 -0.62730
|
|
297 5S 0.07518 -0.04494 -0.00375 -0.09868 -0.02156
|
|
298 6PX -0.00816 0.03453 0.00146 -0.00063 0.03978
|
|
299 6PY 0.00259 0.03787 0.02393 0.01257 0.02140
|
|
300 6PZ -0.00193 0.03117 0.02778 0.05440 0.00024
|
|
301 7PX 0.12560 -0.05585 -0.06568 -0.14488 -0.07572
|
|
302 7PY 0.04812 -0.04751 0.00553 -0.06550 -0.02240
|
|
303 7PZ 0.06639 -0.20019 -0.04584 -0.26797 -0.09563
|
|
304 8PX -0.02408 0.21888 -0.08737 0.71227 0.17750
|
|
305 8PY -0.12657 0.50461 0.06142 0.77878 0.26515
|
|
306 8PZ -0.48500 0.41629 -0.09161 1.19373 0.41359
|
|
307 9PX -0.31221 0.08412 0.01902 0.56554 0.18552
|
|
308 9PY -0.20541 0.14771 -0.14565 0.27908 0.09478
|
|
309 9PZ -0.30605 0.57224 -0.19571 0.84235 0.34060
|
|
310 10D 0 -0.09288 0.03048 -0.05064 -0.27301 0.15391
|
|
311 10D+1 0.08489 -0.10319 -0.06994 0.04121 -0.12366
|
|
312 10D-1 0.02616 -0.04432 0.13061 -0.07070 -0.03560
|
|
313 10D+2 0.12992 0.06710 0.06566 -0.12174 -0.14833
|
|
314 10D-2 -0.02797 0.12751 -0.09487 -0.05657 -0.14754
|
|
315 11D 0 0.19764 0.08248 0.02304 0.20723 -0.14188
|
|
316 11D+1 -0.09505 0.03186 0.08640 -0.08210 0.09310
|
|
317 11D-1 0.06990 -0.08488 -0.15673 -0.10169 -0.03754
|
|
318 11D+2 -0.16279 -0.00978 0.06031 0.15091 0.16868
|
|
319 11D-2 -0.04797 -0.17926 0.06053 -0.05398 0.09931
|
|
320 12D 0 0.12056 -0.24312 0.04414 -0.35836 -0.13887
|
|
321 12D+1 0.33648 0.01615 0.06801 -0.40549 -0.07759
|
|
322 12D-1 0.39421 -0.21800 -0.12583 -0.53326 -0.06273
|
|
323 12D+2 0.07924 -0.11271 -0.16268 -0.21788 -0.06161
|
|
324 12D-2 -0.15672 -0.33702 0.01452 -0.12615 -0.34397
|
|
325 13F 0 -0.17961 -0.33302 0.02387 0.14582 -0.24675
|
|
326 13F+1 0.17026 0.19052 0.11868 -0.02421 0.10505
|
|
327 13F-1 0.13458 -0.01688 -0.24185 -0.26732 0.08230
|
|
328 13F+2 0.06666 -0.21629 -0.09981 -0.08722 0.04159
|
|
329 13F-2 -0.14054 -0.16271 -0.13882 0.07062 -0.15358
|
|
330 13F+3 0.04380 0.11543 -0.34163 -0.18238 0.14987
|
|
331 13F-3 -0.16798 -0.24539 -0.04134 -0.05521 -0.21326
|
|
332 14F 0 0.14565 0.20942 -0.01677 -0.11572 0.19858
|
|
333 14F+1 -0.22515 -0.16090 -0.07827 0.08931 -0.05336
|
|
334 14F-1 -0.27450 0.06011 0.20690 0.35754 -0.03729
|
|
335 14F+2 -0.02978 0.14896 0.02061 0.04618 -0.04641
|
|
336 14F-2 0.10709 0.22511 0.14683 0.02774 0.16723
|
|
337 14F+3 -0.05248 -0.10345 0.25191 0.11979 -0.18408
|
|
338 14F-3 0.17257 0.21070 -0.00179 0.11017 0.22746
|
|
339 15G 0 -0.13971 -0.01344 -0.09387 0.17671 0.08336
|
|
340 15G+1 0.03577 -0.00480 -0.02930 -0.19803 -0.10024
|
|
341 15G-1 0.10564 0.03429 0.11223 -0.19288 -0.09423
|
|
342 15G+2 0.14839 -0.01405 0.02615 0.06879 0.00564
|
|
343 15G-2 -0.11043 -0.14252 -0.27834 0.13691 0.18342
|
|
344 15G+3 -0.04370 -0.05336 -0.10197 0.01941 0.09713
|
|
345 15G-3 0.01241 0.04032 0.01345 -0.09889 -0.18392
|
|
346 15G+4 -0.13149 -0.06638 -0.11332 0.24800 0.22504
|
|
347 15G-4 -0.15477 0.04227 0.03748 -0.18976 -0.00402
|
|
348 6 H 1S 0.05081 0.10451 0.10731 -0.00391 0.00294
|
|
349 2S -0.25284 0.19689 -0.05580 -0.50916 0.18973
|
|
350 3S 0.04436 -0.46603 0.31610 2.28164 -0.87484
|
|
351 4S 0.51053 -1.03473 0.53699 1.47005 -0.62730
|
|
352 5S 0.07518 -0.04494 -0.00375 0.09868 -0.02156
|
|
353 6PX -0.00816 0.03453 0.00146 0.00063 0.03978
|
|
354 6PY 0.00259 0.03787 0.02393 -0.01257 0.02140
|
|
355 6PZ 0.00193 -0.03117 -0.02778 0.05440 -0.00024
|
|
356 7PX 0.12560 -0.05585 -0.06568 0.14488 -0.07572
|
|
357 7PY 0.04812 -0.04751 0.00553 0.06550 -0.02240
|
|
358 7PZ -0.06639 0.20019 0.04584 -0.26797 0.09563
|
|
359 8PX -0.02408 0.21888 -0.08737 -0.71227 0.17750
|
|
360 8PY -0.12657 0.50461 0.06142 -0.77878 0.26515
|
|
361 8PZ 0.48500 -0.41629 0.09161 1.19373 -0.41359
|
|
362 9PX -0.31221 0.08412 0.01902 -0.56554 0.18552
|
|
363 9PY -0.20541 0.14771 -0.14565 -0.27908 0.09478
|
|
364 9PZ 0.30605 -0.57224 0.19571 0.84235 -0.34060
|
|
365 10D 0 -0.09288 0.03048 -0.05064 0.27301 0.15391
|
|
366 10D+1 -0.08489 0.10319 0.06994 0.04121 0.12366
|
|
367 10D-1 -0.02616 0.04432 -0.13061 -0.07070 0.03560
|
|
368 10D+2 0.12992 0.06710 0.06566 0.12174 -0.14833
|
|
369 10D-2 -0.02797 0.12751 -0.09487 0.05657 -0.14754
|
|
370 11D 0 0.19764 0.08248 0.02304 -0.20723 -0.14188
|
|
371 11D+1 0.09505 -0.03186 -0.08640 -0.08210 -0.09310
|
|
372 11D-1 -0.06990 0.08488 0.15673 -0.10169 0.03754
|
|
373 11D+2 -0.16279 -0.00978 0.06031 -0.15091 0.16868
|
|
374 11D-2 -0.04797 -0.17926 0.06053 0.05398 0.09931
|
|
375 12D 0 0.12056 -0.24312 0.04414 0.35836 -0.13887
|
|
376 12D+1 -0.33648 -0.01615 -0.06801 -0.40549 0.07759
|
|
377 12D-1 -0.39421 0.21800 0.12583 -0.53326 0.06273
|
|
378 12D+2 0.07924 -0.11271 -0.16268 0.21788 -0.06161
|
|
379 12D-2 -0.15672 -0.33702 0.01452 0.12615 -0.34397
|
|
380 13F 0 0.17961 0.33302 -0.02387 0.14582 0.24675
|
|
381 13F+1 0.17026 0.19052 0.11868 0.02421 0.10505
|
|
382 13F-1 0.13458 -0.01688 -0.24185 0.26732 0.08230
|
|
383 13F+2 -0.06666 0.21629 0.09981 -0.08722 -0.04159
|
|
384 13F-2 0.14054 0.16271 0.13882 0.07062 0.15358
|
|
385 13F+3 0.04380 0.11543 -0.34163 0.18238 0.14987
|
|
386 13F-3 -0.16798 -0.24539 -0.04134 0.05521 -0.21326
|
|
387 14F 0 -0.14565 -0.20942 0.01677 -0.11572 -0.19858
|
|
388 14F+1 -0.22515 -0.16090 -0.07827 -0.08931 -0.05336
|
|
389 14F-1 -0.27450 0.06011 0.20690 -0.35754 -0.03729
|
|
390 14F+2 0.02978 -0.14896 -0.02061 0.04618 0.04641
|
|
391 14F-2 -0.10709 -0.22511 -0.14683 0.02774 -0.16723
|
|
392 14F+3 -0.05248 -0.10345 0.25191 -0.11979 -0.18408
|
|
393 14F-3 0.17257 0.21070 -0.00179 -0.11017 0.22746
|
|
394 15G 0 -0.13971 -0.01344 -0.09387 -0.17671 0.08336
|
|
395 15G+1 -0.03577 0.00480 0.02930 -0.19803 0.10024
|
|
396 15G-1 -0.10564 -0.03429 -0.11223 -0.19288 0.09423
|
|
397 15G+2 0.14839 -0.01405 0.02615 -0.06879 0.00564
|
|
398 15G-2 -0.11043 -0.14252 -0.27834 -0.13691 0.18342
|
|
399 15G+3 0.04370 0.05336 0.10197 0.01941 -0.09713
|
|
400 15G-3 -0.01241 -0.04032 -0.01345 -0.09889 0.18392
|
|
401 15G+4 -0.13149 -0.06638 -0.11332 -0.24800 0.22504
|
|
402 15G-4 -0.15477 0.04227 0.03748 0.18976 -0.00402
|
|
296 297 298 299 300
|
|
V V V V V
|
|
Eigenvalues -- 13.68927 13.69550 13.75388 13.82060 13.83281
|
|
1 1 C 1S 0.00179 0.00000 0.00000 -0.01808 -0.01364
|
|
2 2S 0.02274 0.00000 0.00000 0.01924 0.03592
|
|
3 3S 0.37621 0.00000 0.00000 -0.19077 0.21754
|
|
4 4S -2.55323 0.00000 0.00000 1.81836 -0.98246
|
|
5 5S 4.10908 0.00000 0.00000 -0.41998 1.32916
|
|
6 6S 1.00813 0.00000 0.00000 -0.82176 -0.13276
|
|
7 7PX -0.08089 0.00000 0.00000 -0.09595 -0.06548
|
|
8 7PY -0.29755 0.00000 0.00000 0.40044 0.25140
|
|
9 7PZ 0.00000 0.00863 -0.11139 0.00000 0.00000
|
|
10 8PX 0.63399 0.00000 0.00000 0.38292 0.53304
|
|
11 8PY 1.22638 0.00000 0.00000 -1.95311 -1.24064
|
|
12 8PZ 0.00000 -0.11449 0.38104 0.00000 0.00000
|
|
13 9PX -1.52254 0.00000 0.00000 -0.22641 -0.38167
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273 13F+2 0.00000 0.24062 0.47597 0.00000 0.00000
|
|
274 13F-2 0.00000 0.18931 0.01415 0.00000 0.00000
|
|
275 13F+3 0.58630 0.00000 0.00000 0.18595 0.17348
|
|
276 13F-3 -0.08145 0.00000 0.00000 0.32221 -0.40216
|
|
277 14F 0 0.00000 -0.00244 0.20271 0.00000 0.00000
|
|
278 14F+1 0.24923 0.00000 0.00000 0.13405 -0.16809
|
|
279 14F-1 0.09856 0.00000 0.00000 -0.04216 0.13091
|
|
280 14F+2 0.00000 -0.27150 -0.51181 0.00000 0.00000
|
|
281 14F-2 0.00000 -0.14031 -0.06153 0.00000 0.00000
|
|
282 14F+3 -0.50496 0.00000 0.00000 -0.16855 -0.10668
|
|
283 14F-3 0.01524 0.00000 0.00000 -0.47164 0.24995
|
|
284 15G 0 0.17600 0.00000 0.00000 0.17405 -0.08869
|
|
285 15G+1 0.00000 0.01713 -0.33329 0.00000 0.00000
|
|
286 15G-1 0.00000 -0.09582 -0.05188 0.00000 0.00000
|
|
287 15G+2 -0.32369 0.00000 0.00000 -0.17527 0.03054
|
|
288 15G-2 -0.15157 0.00000 0.00000 -0.03516 -0.12680
|
|
289 15G+3 0.00000 0.27065 0.42723 0.00000 0.00000
|
|
290 15G-3 0.00000 -0.10517 0.04115 0.00000 0.00000
|
|
291 15G+4 0.15355 0.00000 0.00000 0.26955 -0.21178
|
|
292 15G-4 0.04933 0.00000 0.00000 0.26931 -0.17932
|
|
293 5 H 1S -0.10845 -0.01239 -0.07440 0.02853 0.00774
|
|
294 2S 0.15804 0.03293 0.26431 0.01512 -0.21000
|
|
295 3S 0.55613 -0.19371 0.22562 -1.52006 -0.63734
|
|
296 4S 0.09055 -0.10831 0.09464 -0.43694 -0.12425
|
|
297 5S -0.09765 0.01776 0.05345 0.03982 0.04350
|
|
298 6PX -0.01428 -0.05771 -0.00397 0.01053 0.00418
|
|
299 6PY 0.02344 -0.00341 0.03955 -0.03897 -0.05806
|
|
300 6PZ -0.00823 0.03294 -0.00431 -0.01217 -0.02339
|
|
301 7PX -0.00232 -0.00196 -0.05252 0.01176 0.04176
|
|
302 7PY -0.00960 0.00055 -0.03035 -0.00249 0.03986
|
|
303 7PZ -0.00933 -0.00911 -0.09522 -0.02334 0.12172
|
|
304 8PX -0.22280 -0.04724 -0.06541 0.36323 0.05390
|
|
305 8PY -0.03990 -0.04487 0.03569 0.12413 -0.09291
|
|
306 8PZ -0.36349 0.10065 -0.01945 0.67912 0.15134
|
|
307 9PX 0.00577 0.06884 0.14765 0.12314 0.07252
|
|
308 9PY 0.01716 -0.00856 -0.17915 -0.14629 0.04024
|
|
309 9PZ -0.00006 0.00307 0.17441 0.39077 -0.04039
|
|
310 10D 0 0.02923 -0.10831 0.00463 -0.05641 0.01370
|
|
311 10D+1 0.05308 0.06530 -0.06263 -0.06230 -0.04816
|
|
312 10D-1 -0.04180 -0.12888 0.11196 -0.01397 0.14689
|
|
313 10D+2 0.08392 0.01610 0.03157 -0.14019 -0.15307
|
|
314 10D-2 -0.03887 0.31887 -0.09050 0.16701 -0.08845
|
|
315 11D 0 0.00878 0.02983 0.03156 0.01786 -0.08352
|
|
316 11D+1 -0.01275 -0.00758 0.09644 -0.00181 0.03578
|
|
317 11D-1 0.04020 0.05992 -0.14751 0.02316 -0.09008
|
|
318 11D+2 -0.04033 0.00752 0.03196 0.03931 0.07170
|
|
319 11D-2 0.02771 -0.16770 0.05424 -0.16072 0.09649
|
|
320 12D 0 0.07655 -0.01043 -0.15478 -0.28361 0.05267
|
|
321 12D+1 0.10326 -0.00041 -0.06553 -0.28338 -0.16254
|
|
322 12D-1 -0.07526 0.05988 -0.01672 0.09904 0.16361
|
|
323 12D+2 -0.02392 -0.00813 -0.04096 0.02949 0.09881
|
|
324 12D-2 -0.00966 -0.00546 -0.08631 -0.00060 0.07885
|
|
325 13F 0 0.03691 0.07010 -0.03482 -0.07294 0.08256
|
|
326 13F+1 0.06035 0.02045 0.01719 -0.11123 -0.16360
|
|
327 13F-1 -0.05574 0.34342 -0.01035 0.07854 0.04822
|
|
328 13F+2 -0.01291 -0.10761 -0.01991 0.08693 0.16174
|
|
329 13F-2 0.05898 -0.21991 0.08355 -0.08783 -0.05204
|
|
330 13F+3 -0.05106 0.18198 -0.06429 0.14840 0.04475
|
|
331 13F-3 -0.03955 -0.23595 -0.00189 0.15771 0.10957
|
|
332 14F 0 -0.05495 -0.04816 0.03964 0.11133 -0.05200
|
|
333 14F+1 -0.03702 -0.02421 -0.00397 0.12597 0.15867
|
|
334 14F-1 0.06941 -0.19743 0.05102 -0.08841 -0.07079
|
|
335 14F+2 -0.02094 0.07599 -0.01692 -0.00791 -0.10380
|
|
336 14F-2 -0.04735 0.10004 -0.02239 0.10464 0.03691
|
|
337 14F+3 0.03963 -0.11882 0.01528 -0.09213 0.00750
|
|
338 14F-3 0.07266 0.12574 0.02423 -0.13458 -0.08891
|
|
339 15G 0 0.08790 0.07142 0.00513 -0.06714 -0.00098
|
|
340 15G+1 -0.07408 0.05456 -0.00343 0.01114 -0.00774
|
|
341 15G-1 0.02459 -0.01230 0.03483 -0.01582 0.05101
|
|
342 15G+2 0.12439 -0.09989 -0.00430 -0.01817 0.05111
|
|
343 15G-2 0.13000 0.07036 0.06076 -0.18346 -0.11178
|
|
344 15G+3 -0.03820 0.00240 -0.05600 -0.02142 -0.03181
|
|
345 15G-3 0.01392 -0.03636 0.01017 0.04746 -0.05901
|
|
346 15G+4 0.07691 0.01936 0.02677 -0.12869 -0.04933
|
|
347 15G-4 -0.16873 0.08427 -0.03717 0.06687 -0.07920
|
|
348 6 H 1S -0.10845 0.01239 0.07440 0.02853 0.00774
|
|
349 2S 0.15804 -0.03293 -0.26431 0.01512 -0.21000
|
|
350 3S 0.55613 0.19371 -0.22562 -1.52006 -0.63734
|
|
351 4S 0.09055 0.10831 -0.09464 -0.43694 -0.12425
|
|
352 5S -0.09765 -0.01776 -0.05345 0.03982 0.04350
|
|
353 6PX -0.01428 0.05771 0.00397 0.01053 0.00418
|
|
354 6PY 0.02344 0.00341 -0.03955 -0.03897 -0.05806
|
|
355 6PZ 0.00823 0.03294 -0.00431 0.01217 0.02339
|
|
356 7PX -0.00232 0.00196 0.05252 0.01176 0.04176
|
|
357 7PY -0.00960 -0.00055 0.03035 -0.00249 0.03986
|
|
358 7PZ 0.00933 -0.00911 -0.09522 0.02334 -0.12172
|
|
359 8PX -0.22280 0.04724 0.06541 0.36323 0.05390
|
|
360 8PY -0.03990 0.04487 -0.03569 0.12413 -0.09291
|
|
361 8PZ 0.36349 0.10065 -0.01945 -0.67912 -0.15134
|
|
362 9PX 0.00577 -0.06884 -0.14765 0.12314 0.07252
|
|
363 9PY 0.01716 0.00856 0.17915 -0.14629 0.04024
|
|
364 9PZ 0.00006 0.00307 0.17441 -0.39077 0.04039
|
|
365 10D 0 0.02923 0.10831 -0.00463 -0.05641 0.01370
|
|
366 10D+1 -0.05308 0.06530 -0.06263 0.06230 0.04816
|
|
367 10D-1 0.04180 -0.12888 0.11196 0.01397 -0.14689
|
|
368 10D+2 0.08392 -0.01610 -0.03157 -0.14019 -0.15307
|
|
369 10D-2 -0.03887 -0.31887 0.09050 0.16701 -0.08845
|
|
370 11D 0 0.00878 -0.02983 -0.03156 0.01786 -0.08352
|
|
371 11D+1 0.01275 -0.00758 0.09644 0.00181 -0.03578
|
|
372 11D-1 -0.04020 0.05992 -0.14751 -0.02316 0.09008
|
|
373 11D+2 -0.04033 -0.00752 -0.03196 0.03931 0.07170
|
|
374 11D-2 0.02771 0.16770 -0.05424 -0.16072 0.09649
|
|
375 12D 0 0.07655 0.01043 0.15478 -0.28361 0.05267
|
|
376 12D+1 -0.10326 -0.00041 -0.06553 0.28338 0.16254
|
|
377 12D-1 0.07526 0.05988 -0.01672 -0.09904 -0.16361
|
|
378 12D+2 -0.02392 0.00813 0.04096 0.02949 0.09881
|
|
379 12D-2 -0.00966 0.00546 0.08631 -0.00060 0.07885
|
|
380 13F 0 -0.03691 0.07010 -0.03482 0.07294 -0.08256
|
|
381 13F+1 0.06035 -0.02045 -0.01719 -0.11123 -0.16360
|
|
382 13F-1 -0.05574 -0.34342 0.01035 0.07854 0.04822
|
|
383 13F+2 0.01291 -0.10761 -0.01991 -0.08693 -0.16174
|
|
384 13F-2 -0.05898 -0.21991 0.08355 0.08783 0.05204
|
|
385 13F+3 -0.05106 -0.18198 0.06429 0.14840 0.04475
|
|
386 13F-3 -0.03955 0.23595 0.00189 0.15771 0.10957
|
|
387 14F 0 0.05495 -0.04816 0.03964 -0.11133 0.05200
|
|
388 14F+1 -0.03702 0.02421 0.00397 0.12597 0.15867
|
|
389 14F-1 0.06941 0.19743 -0.05102 -0.08841 -0.07079
|
|
390 14F+2 0.02094 0.07599 -0.01692 0.00791 0.10380
|
|
391 14F-2 0.04735 0.10004 -0.02239 -0.10464 -0.03691
|
|
392 14F+3 0.03963 0.11882 -0.01528 -0.09213 0.00750
|
|
393 14F-3 0.07266 -0.12574 -0.02423 -0.13458 -0.08891
|
|
394 15G 0 0.08790 -0.07142 -0.00513 -0.06714 -0.00098
|
|
395 15G+1 0.07408 0.05456 -0.00343 -0.01114 0.00774
|
|
396 15G-1 -0.02459 -0.01230 0.03483 0.01582 -0.05101
|
|
397 15G+2 0.12439 0.09989 0.00430 -0.01817 0.05111
|
|
398 15G-2 0.13000 -0.07036 -0.06076 -0.18346 -0.11178
|
|
399 15G+3 0.03820 0.00240 -0.05600 0.02142 0.03181
|
|
400 15G-3 -0.01392 -0.03636 0.01017 -0.04746 0.05901
|
|
401 15G+4 0.07691 -0.01936 -0.02677 -0.12869 -0.04933
|
|
402 15G-4 -0.16873 -0.08427 0.03717 0.06687 -0.07920
|
|
301 302 303 304 305
|
|
V V V V V
|
|
Eigenvalues -- 13.83486 14.03121 14.03223 14.06225 14.08320
|
|
1 1 C 1S 0.00000 0.00000 -0.00056 0.00000 -0.00095
|
|
2 2S 0.00000 0.00000 -0.00370 0.00000 0.04087
|
|
3 3S 0.00000 0.00000 0.00077 0.00000 0.26258
|
|
4 4S 0.00000 0.00000 -0.18642 0.00000 -0.65648
|
|
5 5S 0.00000 0.00000 0.97472 0.00000 -0.67625
|
|
6 6S 0.00000 0.00000 0.24888 0.00000 0.15243
|
|
7 7PX 0.00000 0.00000 -0.03705 0.00000 0.08300
|
|
8 7PY 0.00000 0.00000 -0.08806 0.00000 -0.01748
|
|
9 7PZ 0.00179 0.03031 0.00000 0.13191 0.00000
|
|
10 8PX 0.00000 0.00000 0.28512 0.00000 -0.42105
|
|
11 8PY 0.00000 0.00000 0.37560 0.00000 0.06223
|
|
12 8PZ 0.03031 -0.03343 0.00000 -0.52048 0.00000
|
|
13 9PX 0.00000 0.00000 0.22388 0.00000 0.64269
|
|
14 9PY 0.00000 0.00000 -0.53969 0.00000 0.20612
|
|
15 9PZ 0.15142 0.07144 0.00000 0.95202 0.00000
|
|
16 10PX 0.00000 0.00000 0.51863 0.00000 2.19795
|
|
17 10PY 0.00000 0.00000 0.03784 0.00000 -1.75114
|
|
18 10PZ 0.29696 0.04822 0.00000 1.91147 0.00000
|
|
19 11PX 0.00000 0.00000 -0.01218 0.00000 0.02270
|
|
20 11PY 0.00000 0.00000 0.03018 0.00000 -0.17534
|
|
21 11PZ -0.07002 -0.04512 0.00000 -0.05640 0.00000
|
|
22 12D 0 0.00000 0.00000 -0.06729 0.00000 -0.00142
|
|
23 12D+1 0.00178 0.01361 0.00000 0.01143 0.00000
|
|
24 12D-1 0.02905 0.06373 0.00000 0.05250 0.00000
|
|
25 12D+2 0.00000 0.00000 -0.04305 0.00000 0.10274
|
|
26 12D-2 0.00000 0.00000 0.10779 0.00000 -0.12201
|
|
27 13D 0 0.00000 0.00000 0.18388 0.00000 0.00646
|
|
28 13D+1 -0.02332 -0.02437 0.00000 -0.09361 0.00000
|
|
29 13D-1 -0.05420 -0.09205 0.00000 -0.00136 0.00000
|
|
30 13D+2 0.00000 0.00000 0.07946 0.00000 -0.05151
|
|
31 13D-2 0.00000 0.00000 -0.11826 0.00000 0.32194
|
|
32 14D 0 0.00000 0.00000 0.34142 0.00000 -0.07304
|
|
33 14D+1 0.65823 0.46457 0.00000 0.94133 0.00000
|
|
34 14D-1 0.40326 -0.02749 0.00000 -0.26747 0.00000
|
|
35 14D+2 0.00000 0.00000 -0.73873 0.00000 -0.51086
|
|
36 14D-2 0.00000 0.00000 0.04208 0.00000 -0.54175
|
|
37 15D 0 0.00000 0.00000 0.29363 0.00000 0.11544
|
|
38 15D+1 0.57074 0.37820 0.00000 0.80152 0.00000
|
|
39 15D-1 -0.22385 -0.33254 0.00000 -0.01523 0.00000
|
|
40 15D+2 0.00000 0.00000 -0.26944 0.00000 -1.00461
|
|
41 15D-2 0.00000 0.00000 0.03756 0.00000 -0.10976
|
|
42 16F 0 -0.13620 0.16676 0.00000 -0.17522 0.00000
|
|
43 16F+1 0.00000 0.00000 -0.04123 0.00000 0.00890
|
|
44 16F-1 0.00000 0.00000 0.07236 0.00000 -0.07068
|
|
45 16F+2 0.10636 -0.15505 0.00000 -0.19750 0.00000
|
|
46 16F-2 -0.02061 -0.03211 0.00000 0.04653 0.00000
|
|
47 16F+3 0.00000 0.00000 -0.23897 0.00000 -0.02704
|
|
48 16F-3 0.00000 0.00000 -0.15339 0.00000 -0.05842
|
|
49 17F 0 0.36988 -0.26308 0.00000 0.30577 0.00000
|
|
50 17F+1 0.00000 0.00000 0.09640 0.00000 0.04583
|
|
51 17F-1 0.00000 0.00000 -0.09249 0.00000 -0.04941
|
|
52 17F+2 -0.31262 0.27842 0.00000 0.34654 0.00000
|
|
53 17F-2 0.18223 0.13667 0.00000 -0.18681 0.00000
|
|
54 17F+3 0.00000 0.00000 0.55689 0.00000 0.02304
|
|
55 17F-3 0.00000 0.00000 0.29305 0.00000 0.06911
|
|
56 18F 0 -0.28749 0.13004 0.00000 -0.50148 0.00000
|
|
57 18F+1 0.00000 0.00000 -0.16885 0.00000 0.34412
|
|
58 18F-1 0.00000 0.00000 -0.06223 0.00000 -0.18642
|
|
59 18F+2 0.04993 -0.30333 0.00000 -0.57696 0.00000
|
|
60 18F-2 0.12967 0.09613 0.00000 -0.29369 0.00000
|
|
61 18F+3 0.00000 0.00000 -0.48340 0.00000 -0.52707
|
|
62 18F-3 0.00000 0.00000 0.17548 0.00000 -0.33416
|
|
63 19G 0 0.00000 0.00000 -0.09583 0.00000 0.03233
|
|
64 19G+1 0.00939 0.01754 0.00000 0.07022 0.00000
|
|
65 19G-1 0.05031 -0.13585 0.00000 -0.04470 0.00000
|
|
66 19G+2 0.00000 0.00000 -0.00706 0.00000 0.06929
|
|
67 19G-2 0.00000 0.00000 -0.01396 0.00000 -0.02000
|
|
68 19G+3 0.00075 -0.08621 0.00000 0.01759 0.00000
|
|
69 19G-3 -0.08390 0.09850 0.00000 -0.06748 0.00000
|
|
70 19G+4 0.00000 0.00000 0.05343 0.00000 -0.06102
|
|
71 19G-4 0.00000 0.00000 -0.01540 0.00000 -0.09462
|
|
72 20G 0 0.00000 0.00000 0.28185 0.00000 -0.02836
|
|
73 20G+1 -0.10950 0.03400 0.00000 0.34265 0.00000
|
|
74 20G-1 0.05826 -0.05689 0.00000 0.12855 0.00000
|
|
75 20G+2 0.00000 0.00000 0.38279 0.00000 0.07449
|
|
76 20G-2 0.00000 0.00000 -0.10263 0.00000 0.19548
|
|
77 20G+3 0.00362 0.09999 0.00000 0.21134 0.00000
|
|
78 20G-3 -0.13476 0.08045 0.00000 0.16320 0.00000
|
|
79 20G+4 0.00000 0.00000 -0.16372 0.00000 -0.14109
|
|
80 20G-4 0.00000 0.00000 -0.34622 0.00000 0.29677
|
|
81 21H 0 -0.01689 -0.01412 0.00000 -0.04048 0.00000
|
|
82 21H+1 0.00000 0.00000 0.02664 0.00000 0.06287
|
|
83 21H-1 0.00000 0.00000 0.08120 0.00000 -0.10121
|
|
84 21H+2 0.01460 0.02748 0.00000 0.10758 0.00000
|
|
85 21H-2 -0.00029 -0.00122 0.00000 0.12099 0.00000
|
|
86 21H+3 0.00000 0.00000 0.00973 0.00000 -0.01289
|
|
87 21H-3 0.00000 0.00000 -0.06334 0.00000 0.03470
|
|
88 21H+4 -0.02734 -0.03141 0.00000 0.00978 0.00000
|
|
89 21H-4 0.02927 0.04701 0.00000 0.05239 0.00000
|
|
90 21H+5 0.00000 0.00000 0.00945 0.00000 0.14739
|
|
91 21H-5 0.00000 0.00000 -0.05646 0.00000 -0.05274
|
|
92 2 O 1S 0.00000 0.00000 -0.01078 0.00000 0.00006
|
|
93 2S 0.00000 0.00000 0.08697 0.00000 -0.01745
|
|
94 3S 0.00000 0.00000 0.28206 0.00000 -0.08343
|
|
95 4S 0.00000 0.00000 0.02521 0.00000 0.21813
|
|
96 5S 0.00000 0.00000 -0.45655 0.00000 -0.34202
|
|
97 6S 0.00000 0.00000 -0.45567 0.00000 -1.19574
|
|
98 7PX 0.00000 0.00000 0.05876 0.00000 0.04028
|
|
99 7PY 0.00000 0.00000 -0.03225 0.00000 0.04217
|
|
100 7PZ 0.10975 0.03945 0.00000 0.00235 0.00000
|
|
101 8PX 0.00000 0.00000 0.00332 0.00000 -0.06332
|
|
102 8PY 0.00000 0.00000 0.09765 0.00000 -0.00485
|
|
103 8PZ -0.16134 -0.05893 0.00000 0.00379 0.00000
|
|
104 9PX 0.00000 0.00000 -0.02285 0.00000 0.20798
|
|
105 9PY 0.00000 0.00000 -0.46726 0.00000 0.01262
|
|
106 9PZ 0.58158 0.17479 0.00000 -0.07887 0.00000
|
|
107 10PX 0.00000 0.00000 -0.34999 0.00000 -1.00208
|
|
108 10PY 0.00000 0.00000 -0.49760 0.00000 0.07207
|
|
109 10PZ 0.34084 -0.05012 0.00000 -1.01759 0.00000
|
|
110 11PX 0.00000 0.00000 0.02852 0.00000 -0.15667
|
|
111 11PY 0.00000 0.00000 -0.14064 0.00000 -0.02517
|
|
112 11PZ 0.11852 0.04775 0.00000 -0.06798 0.00000
|
|
113 12D 0 0.00000 0.00000 0.01000 0.00000 0.00305
|
|
114 12D+1 -0.00553 -0.00006 0.00000 0.00289 0.00000
|
|
115 12D-1 0.00445 0.00282 0.00000 0.00590 0.00000
|
|
116 12D+2 0.00000 0.00000 0.00159 0.00000 0.00321
|
|
117 12D-2 0.00000 0.00000 0.00565 0.00000 0.00213
|
|
118 13D 0 0.00000 0.00000 -0.05358 0.00000 0.00206
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372 11D-1 0.06191 -0.44500 0.22692 -0.28058 0.43673
|
|
373 11D+2 0.13244 0.26649 -0.07774 0.28968 -0.67480
|
|
374 11D-2 0.22099 -0.61130 -0.01025 0.61312 0.09814
|
|
375 12D 0 0.02732 0.10865 -0.06950 -0.23708 0.03839
|
|
376 12D+1 -0.09561 0.01345 0.24331 -0.24484 0.22466
|
|
377 12D-1 -0.04809 0.20565 -0.14958 -0.00841 -0.37331
|
|
378 12D+2 -0.08519 -0.30859 0.24354 -0.47466 0.66121
|
|
379 12D-2 -0.18193 0.35753 -0.31430 -0.46967 -0.01785
|
|
380 13F 0 -0.00780 0.07680 0.12572 0.07029 -0.01564
|
|
381 13F+1 0.04553 0.05775 -0.12445 0.27874 -0.14374
|
|
382 13F-1 0.09827 -0.17031 0.18761 -0.03605 0.12082
|
|
383 13F+2 0.04932 -0.01604 -0.16304 0.03494 0.02584
|
|
384 13F-2 0.08699 -0.15443 0.04948 0.10134 0.01552
|
|
385 13F+3 -0.03458 -0.15909 0.14712 -0.00136 0.09754
|
|
386 13F-3 -0.09102 0.07825 0.01697 -0.20972 0.09359
|
|
387 14F 0 -0.03376 0.01580 -0.08137 -0.16886 -0.00755
|
|
388 14F+1 -0.06173 -0.03741 0.14102 -0.21491 0.16714
|
|
389 14F-1 -0.04789 0.12586 -0.19788 0.00687 -0.16813
|
|
390 14F+2 -0.00879 -0.04750 0.20719 -0.11530 0.02537
|
|
391 14F-2 -0.06058 0.11814 -0.14036 -0.08060 0.00485
|
|
392 14F+3 0.01555 0.17553 -0.14804 0.04040 -0.15814
|
|
393 14F-3 0.06163 -0.03150 0.03282 0.26561 -0.13660
|
|
394 15G 0 -0.00760 0.02778 0.04481 -0.08502 -0.05725
|
|
395 15G+1 -0.07316 -0.03513 0.19161 -0.23413 0.10125
|
|
396 15G-1 -0.03320 0.13755 -0.14429 0.00892 -0.09601
|
|
397 15G+2 -0.02184 0.08086 0.03050 0.12615 -0.10833
|
|
398 15G-2 -0.00297 0.06024 -0.07991 0.02522 0.03090
|
|
399 15G+3 0.03282 0.13357 0.01350 -0.03118 -0.12999
|
|
400 15G-3 0.04870 -0.09383 -0.02534 0.11691 -0.05654
|
|
401 15G+4 -0.00876 -0.08731 -0.00853 0.07153 0.06055
|
|
402 15G-4 -0.02862 -0.05738 -0.11437 -0.10470 0.13990
|
|
306 307 308 309 310
|
|
V V V V V
|
|
Eigenvalues -- 14.10271 14.13013 14.15204 14.19426 14.25199
|
|
1 1 C 1S 0.00000 0.00107 0.01089 -0.01508 0.00000
|
|
2 2S 0.00000 -0.02966 -0.04634 0.07713 0.00000
|
|
3 3S 0.00000 -0.18143 -0.22012 0.33879 0.00000
|
|
4 4S 0.00000 -0.05350 0.19665 -0.45451 0.00000
|
|
5 5S 0.00000 1.80274 0.72069 1.05647 0.00000
|
|
6 6S 0.00000 -0.54237 -0.02685 0.52796 0.00000
|
|
7 7PX 0.00000 0.05328 -0.22294 -0.02523 0.00000
|
|
8 7PY 0.00000 0.18848 -0.13616 0.06393 0.00000
|
|
9 7PZ -0.03031 0.00000 0.00000 0.00000 -0.11264
|
|
10 8PX 0.00000 -0.29761 0.64646 0.16812 0.00000
|
|
11 8PY 0.00000 -0.85731 0.54712 -0.51170 0.00000
|
|
12 8PZ -0.16337 0.00000 0.00000 0.00000 0.31134
|
|
13 9PX 0.00000 0.38317 0.02489 -0.11196 0.00000
|
|
14 9PY 0.00000 1.12209 -1.09197 2.41985 0.00000
|
|
15 9PZ 0.04474 0.00000 0.00000 0.00000 0.06601
|
|
16 10PX 0.00000 1.25383 0.89541 0.80971 0.00000
|
|
17 10PY 0.00000 2.61532 0.97392 1.50952 0.00000
|
|
18 10PZ 1.90038 0.00000 0.00000 0.00000 0.68738
|
|
19 11PX 0.00000 -0.07725 0.05432 -0.00651 0.00000
|
|
20 11PY 0.00000 0.13661 0.02594 0.04656 0.00000
|
|
21 11PZ 0.01185 0.00000 0.00000 0.00000 0.07813
|
|
22 12D 0 0.00000 0.00327 -0.12177 -0.09019 0.00000
|
|
23 12D+1 0.01782 0.00000 0.00000 0.00000 -0.08879
|
|
24 12D-1 -0.21480 0.00000 0.00000 0.00000 -0.06743
|
|
25 12D+2 0.00000 0.07627 -0.04652 -0.01467 0.00000
|
|
26 12D-2 0.00000 -0.05955 -0.20328 -0.18292 0.00000
|
|
27 13D 0 0.00000 -0.19273 0.22413 0.21909 0.00000
|
|
28 13D+1 -0.06184 0.00000 0.00000 0.00000 0.04450
|
|
29 13D-1 0.19129 0.00000 0.00000 0.00000 0.25245
|
|
30 13D+2 0.00000 -0.25134 0.00629 -0.00200 0.00000
|
|
31 13D-2 0.00000 0.10149 0.16062 0.41535 0.00000
|
|
32 14D 0 0.00000 0.91742 -0.68424 -0.05092 0.00000
|
|
33 14D+1 -0.44145 0.00000 0.00000 0.00000 0.09814
|
|
34 14D-1 1.07100 0.00000 0.00000 0.00000 -0.58059
|
|
35 14D+2 0.00000 0.67035 -0.01681 0.78197 0.00000
|
|
36 14D-2 0.00000 0.17996 1.43441 -0.49577 0.00000
|
|
37 15D 0 0.00000 1.12257 0.02250 0.27492 0.00000
|
|
38 15D+1 0.42618 0.00000 0.00000 0.00000 -0.09825
|
|
39 15D-1 1.01488 0.00000 0.00000 0.00000 0.09048
|
|
40 15D+2 0.00000 0.47034 -0.19329 0.45526 0.00000
|
|
41 15D-2 0.00000 0.58277 1.73233 -0.12098 0.00000
|
|
42 16F 0 0.07951 0.00000 0.00000 0.00000 0.24657
|
|
43 16F+1 0.00000 -0.07281 0.00644 0.03275 0.00000
|
|
44 16F-1 0.00000 0.03416 -0.03256 -0.05177 0.00000
|
|
45 16F+2 0.01886 0.00000 0.00000 0.00000 -0.16901
|
|
46 16F-2 -0.11149 0.00000 0.00000 0.00000 0.02333
|
|
47 16F+3 0.00000 -0.05050 0.04651 0.04866 0.00000
|
|
48 16F-3 0.00000 0.11058 0.06835 0.03629 0.00000
|
|
49 17F 0 -0.26080 0.00000 0.00000 0.00000 -0.55191
|
|
50 17F+1 0.00000 0.04915 0.00052 -0.04518 0.00000
|
|
51 17F-1 0.00000 -0.01528 0.09524 0.01589 0.00000
|
|
52 17F+2 -0.20860 0.00000 0.00000 0.00000 0.38305
|
|
53 17F-2 0.16020 0.00000 0.00000 0.00000 -0.06545
|
|
54 17F+3 0.00000 -0.00598 -0.24766 0.04115 0.00000
|
|
55 17F-3 0.00000 -0.03630 -0.28020 -0.00753 0.00000
|
|
56 18F 0 0.02322 0.00000 0.00000 0.00000 0.30411
|
|
57 18F+1 0.00000 -0.24577 0.11419 -0.07379 0.00000
|
|
58 18F-1 0.00000 0.00526 -0.37241 0.25208 0.00000
|
|
59 18F+2 -0.06666 0.00000 0.00000 0.00000 -0.22841
|
|
60 18F-2 -0.26955 0.00000 0.00000 0.00000 -0.08454
|
|
61 18F+3 0.00000 -0.36755 0.15233 0.02783 0.00000
|
|
62 18F-3 0.00000 0.22945 0.45619 0.20187 0.00000
|
|
63 19G 0 0.00000 0.03538 0.15268 0.02448 0.00000
|
|
64 19G+1 -0.02863 0.00000 0.00000 0.00000 0.05550
|
|
65 19G-1 0.04893 0.00000 0.00000 0.00000 0.07775
|
|
66 19G+2 0.00000 0.07875 -0.02881 0.02816 0.00000
|
|
67 19G-2 0.00000 -0.02806 0.04987 -0.01989 0.00000
|
|
68 19G+3 0.23733 0.00000 0.00000 0.00000 -0.07034
|
|
69 19G-3 0.13816 0.00000 0.00000 0.00000 -0.14181
|
|
70 19G+4 0.00000 -0.04004 -0.16501 -0.03288 0.00000
|
|
71 19G-4 0.00000 -0.07262 0.13119 -0.03052 0.00000
|
|
72 20G 0 0.00000 -0.15243 -0.08768 -0.06796 0.00000
|
|
73 20G+1 -0.11822 0.00000 0.00000 0.00000 -0.28728
|
|
74 20G-1 -0.01786 0.00000 0.00000 0.00000 -0.39238
|
|
75 20G+2 0.00000 -0.25606 -0.08646 -0.14108 0.00000
|
|
76 20G-2 0.00000 0.21245 -0.34566 0.23124 0.00000
|
|
77 20G+3 -0.59033 0.00000 0.00000 0.00000 0.16254
|
|
78 20G-3 -0.08824 0.00000 0.00000 0.00000 0.62036
|
|
79 20G+4 0.00000 -0.26720 0.65772 -0.40803 0.00000
|
|
80 20G-4 0.00000 0.12334 -0.25855 -0.10068 0.00000
|
|
81 21H 0 -0.05745 0.00000 0.00000 0.00000 0.11948
|
|
82 21H+1 0.00000 0.07103 -0.02955 -0.06821 0.00000
|
|
83 21H-1 0.00000 0.05183 -0.08969 0.02762 0.00000
|
|
84 21H+2 -0.08032 0.00000 0.00000 0.00000 0.15942
|
|
85 21H-2 0.08882 0.00000 0.00000 0.00000 -0.07495
|
|
86 21H+3 0.00000 -0.06744 0.03276 -0.02064 0.00000
|
|
87 21H-3 0.00000 0.16970 -0.03331 0.04893 0.00000
|
|
88 21H+4 -0.01888 0.00000 0.00000 0.00000 -0.07476
|
|
89 21H-4 -0.18522 0.00000 0.00000 0.00000 -0.03565
|
|
90 21H+5 0.00000 0.02573 -0.27479 0.07720 0.00000
|
|
91 21H-5 0.00000 0.11582 -0.02758 0.09974 0.00000
|
|
92 2 O 1S 0.00000 0.01362 -0.00660 -0.00904 0.00000
|
|
93 2S 0.00000 -0.15933 0.08241 0.04096 0.00000
|
|
94 3S 0.00000 -0.61067 0.27443 0.06876 0.00000
|
|
95 4S 0.00000 0.47848 0.14595 0.28598 0.00000
|
|
96 5S 0.00000 0.78646 -1.05214 0.47565 0.00000
|
|
97 6S 0.00000 0.17792 -0.42553 1.46500 0.00000
|
|
98 7PX 0.00000 -0.02867 0.01274 0.15484 0.00000
|
|
99 7PY 0.00000 -0.00897 -0.07921 0.00253 0.00000
|
|
100 7PZ 0.02362 0.00000 0.00000 0.00000 -0.03406
|
|
101 8PX 0.00000 -0.01200 0.09401 -0.03252 0.00000
|
|
102 8PY 0.00000 -0.15627 0.10125 -0.15016 0.00000
|
|
103 8PZ -0.04621 0.00000 0.00000 0.00000 0.05091
|
|
104 9PX 0.00000 -0.00944 -0.23701 0.13886 0.00000
|
|
105 9PY 0.00000 1.00277 -0.40121 0.64195 0.00000
|
|
106 9PZ 0.16147 0.00000 0.00000 0.00000 -0.03144
|
|
107 10PX 0.00000 -0.56277 0.37088 -1.46810 0.00000
|
|
108 10PY 0.00000 0.32469 -0.08341 1.99473 0.00000
|
|
109 10PZ 0.39326 0.00000 0.00000 0.00000 -0.05825
|
|
110 11PX 0.00000 -0.20750 0.26415 0.08372 0.00000
|
|
111 11PY 0.00000 0.07771 -0.28701 0.21367 0.00000
|
|
112 11PZ 0.08368 0.00000 0.00000 0.00000 -0.07148
|
|
113 12D 0 0.00000 -0.01173 0.01031 0.00531 0.00000
|
|
114 12D+1 0.00466 0.00000 0.00000 0.00000 -0.00355
|
|
115 12D-1 0.00374 0.00000 0.00000 0.00000 -0.00023
|
|
116 12D+2 0.00000 -0.01799 -0.01217 -0.02063 0.00000
|
|
117 12D-2 0.00000 -0.01077 -0.00241 0.00445 0.00000
|
|
118 13D 0 0.00000 -0.00276 -0.01942 -0.01674 0.00000
|
|
119 13D+1 0.05912 0.00000 0.00000 0.00000 -0.03700
|
|
120 13D-1 -0.03808 0.00000 0.00000 0.00000 0.07550
|
|
121 13D+2 0.00000 -0.07805 0.03672 0.28112 0.00000
|
|
122 13D-2 0.00000 0.00238 -0.17958 -0.02376 0.00000
|
|
123 14D 0 0.00000 -0.12061 0.20045 -0.21399 0.00000
|
|
124 14D+1 0.01832 0.00000 0.00000 0.00000 0.09185
|
|
125 14D-1 0.10759 0.00000 0.00000 0.00000 -0.27978
|
|
126 14D+2 0.00000 -0.16666 0.00037 -0.62847 0.00000
|
|
127 14D-2 0.00000 0.05246 0.50284 0.34082 0.00000
|
|
128 15D 0 0.00000 0.16991 0.02691 0.11816 0.00000
|
|
129 15D+1 -0.19441 0.00000 0.00000 0.00000 0.07117
|
|
130 15D-1 0.17537 0.00000 0.00000 0.00000 -0.29601
|
|
131 15D+2 0.00000 0.45015 0.14314 -1.10103 0.00000
|
|
132 15D-2 0.00000 -0.06978 0.48016 0.26468 0.00000
|
|
133 16F 0 0.00435 0.00000 0.00000 0.00000 0.00120
|
|
134 16F+1 0.00000 -0.00967 -0.01143 0.01687 0.00000
|
|
135 16F-1 0.00000 0.01049 -0.00515 0.00020 0.00000
|
|
136 16F+2 -0.00794 0.00000 0.00000 0.00000 0.00663
|
|
137 16F-2 0.01497 0.00000 0.00000 0.00000 0.01317
|
|
138 16F+3 0.00000 -0.00094 -0.00718 -0.03640 0.00000
|
|
139 16F-3 0.00000 0.00548 -0.00661 -0.02390 0.00000
|
|
140 17F 0 -0.03727 0.00000 0.00000 0.00000 0.04238
|
|
141 17F+1 0.00000 0.06585 -0.01415 -0.17019 0.00000
|
|
142 17F-1 0.00000 -0.10010 0.04312 -0.02521 0.00000
|
|
143 17F+2 0.04989 0.00000 0.00000 0.00000 -0.03970
|
|
144 17F-2 0.06757 0.00000 0.00000 0.00000 -0.01483
|
|
145 17F+3 0.00000 -0.00743 -0.08710 0.07445 0.00000
|
|
146 17F-3 0.00000 -0.10076 -0.04019 0.05953 0.00000
|
|
147 18F 0 -0.01051 0.00000 0.00000 0.00000 -0.07981
|
|
148 18F+1 0.00000 0.08801 0.03233 0.02742 0.00000
|
|
149 18F-1 0.00000 -0.00792 -0.20937 0.01428 0.00000
|
|
150 18F+2 -0.10172 0.00000 0.00000 0.00000 0.20420
|
|
151 18F-2 -0.21056 0.00000 0.00000 0.00000 -0.22722
|
|
152 18F+3 0.00000 0.19219 -0.12334 -0.42127 0.00000
|
|
153 18F-3 0.00000 0.30768 0.23180 -0.16313 0.00000
|
|
154 19G 0 0.00000 0.01618 -0.00355 -0.04116 0.00000
|
|
155 19G+1 0.01337 0.00000 0.00000 0.00000 -0.00570
|
|
156 19G-1 0.01120 0.00000 0.00000 0.00000 -0.01651
|
|
157 19G+2 0.00000 -0.02644 0.01263 0.02399 0.00000
|
|
158 19G-2 0.00000 0.00940 -0.02448 -0.01675 0.00000
|
|
159 19G+3 0.00254 0.00000 0.00000 0.00000 0.02669
|
|
160 19G-3 -0.01680 0.00000 0.00000 0.00000 0.00836
|
|
161 19G+4 0.00000 0.00329 0.01426 -0.00120 0.00000
|
|
162 19G-4 0.00000 -0.01270 0.04250 -0.03062 0.00000
|
|
163 20G 0 0.00000 -0.05493 0.03545 0.11995 0.00000
|
|
164 20G+1 0.03557 0.00000 0.00000 0.00000 -0.00535
|
|
165 20G-1 -0.02414 0.00000 0.00000 0.00000 0.03976
|
|
166 20G+2 0.00000 0.05575 0.00691 -0.07539 0.00000
|
|
167 20G-2 0.00000 -0.04961 -0.05633 0.09962 0.00000
|
|
168 20G+3 0.07231 0.00000 0.00000 0.00000 -0.04135
|
|
169 20G-3 0.02319 0.00000 0.00000 0.00000 0.00772
|
|
170 20G+4 0.00000 -0.02094 0.00100 -0.02811 0.00000
|
|
171 20G-4 0.00000 0.05186 -0.16127 -0.02772 0.00000
|
|
172 21H 0 -0.03760 0.00000 0.00000 0.00000 -0.02616
|
|
173 21H+1 0.00000 0.07929 -0.11518 -0.06566 0.00000
|
|
174 21H-1 0.00000 0.03928 0.00062 0.08238 0.00000
|
|
175 21H+2 -0.00178 0.00000 0.00000 0.00000 -0.02965
|
|
176 21H-2 0.10505 0.00000 0.00000 0.00000 0.07673
|
|
177 21H+3 0.00000 -0.10529 -0.01646 0.12041 0.00000
|
|
178 21H-3 0.00000 0.12695 -0.11292 -0.14858 0.00000
|
|
179 21H+4 0.00892 0.00000 0.00000 0.00000 0.04977
|
|
180 21H-4 0.03485 0.00000 0.00000 0.00000 0.03417
|
|
181 21H+5 0.00000 0.04564 0.03859 0.00096 0.00000
|
|
182 21H-5 0.00000 -0.08536 0.12991 0.04704 0.00000
|
|
183 3 H 1S 0.00000 0.01318 0.18549 0.01902 0.00000
|
|
184 2S 0.00000 0.04389 -0.65213 -0.13883 0.00000
|
|
185 3S 0.00000 -0.15601 0.87992 -0.77442 0.00000
|
|
186 4S 0.00000 0.55699 1.58062 -0.09121 0.00000
|
|
187 5S 0.00000 -0.15766 -0.02546 -0.07409 0.00000
|
|
188 6PX 0.00000 -0.01517 0.02725 0.02238 0.00000
|
|
189 6PY 0.00000 -0.00750 0.06304 -0.03528 0.00000
|
|
190 6PZ -0.01233 0.00000 0.00000 0.00000 0.04951
|
|
191 7PX 0.00000 0.06806 -0.08670 -0.06304 0.00000
|
|
192 7PY 0.00000 -0.02231 0.07007 0.02036 0.00000
|
|
193 7PZ 0.00239 0.00000 0.00000 0.00000 -0.03043
|
|
194 8PX 0.00000 -0.17794 0.64047 -0.41127 0.00000
|
|
195 8PY 0.00000 -0.09758 0.65554 -0.44820 0.00000
|
|
196 8PZ -0.38378 0.00000 0.00000 0.00000 -0.08845
|
|
197 9PX 0.00000 -0.04870 0.67272 -0.09874 0.00000
|
|
198 9PY 0.00000 -0.02380 0.18128 -0.17636 0.00000
|
|
199 9PZ -0.27347 0.00000 0.00000 0.00000 -0.16273
|
|
200 10D 0 0.00000 -0.76035 0.34435 -0.20470 0.00000
|
|
201 10D+1 -0.34885 0.00000 0.00000 0.00000 0.39478
|
|
202 10D-1 -0.95557 0.00000 0.00000 0.00000 0.23773
|
|
203 10D+2 0.00000 -0.45196 0.13383 -0.13526 0.00000
|
|
204 10D-2 0.00000 0.24065 -0.26235 0.12216 0.00000
|
|
205 11D 0 0.00000 0.75744 -0.43461 0.20277 0.00000
|
|
206 11D+1 0.21616 0.00000 0.00000 0.00000 -0.39486
|
|
207 11D-1 1.01284 0.00000 0.00000 0.00000 -0.27249
|
|
208 11D+2 0.00000 0.41520 0.14928 0.04410 0.00000
|
|
209 11D-2 0.00000 -0.32164 0.58060 -0.30678 0.00000
|
|
210 12D 0 0.00000 -0.62877 0.11452 -0.18084 0.00000
|
|
211 12D+1 -0.35748 0.00000 0.00000 0.00000 -0.25657
|
|
212 12D-1 -0.53506 0.00000 0.00000 0.00000 -0.14424
|
|
213 12D+2 0.00000 -0.43700 0.37539 -0.19155 0.00000
|
|
214 12D-2 0.00000 0.24535 0.06673 -0.04626 0.00000
|
|
215 13F 0 0.11161 0.00000 0.00000 0.00000 -0.14504
|
|
216 13F+1 0.00000 0.14389 -0.13424 0.01505 0.00000
|
|
217 13F-1 0.00000 0.00032 -0.00011 0.08480 0.00000
|
|
218 13F+2 -0.00553 0.00000 0.00000 0.00000 0.42079
|
|
219 13F-2 0.08125 0.00000 0.00000 0.00000 0.04244
|
|
220 13F+3 0.00000 -0.06550 0.14652 -0.12648 0.00000
|
|
221 13F-3 0.00000 -0.16392 0.10954 -0.14486 0.00000
|
|
222 14F 0 -0.10384 0.00000 0.00000 0.00000 0.13798
|
|
223 14F+1 0.00000 -0.21944 0.06108 -0.05404 0.00000
|
|
224 14F-1 0.00000 0.02632 -0.04672 -0.06463 0.00000
|
|
225 14F+2 -0.12609 0.00000 0.00000 0.00000 -0.56640
|
|
226 14F-2 -0.05648 0.00000 0.00000 0.00000 -0.13364
|
|
227 14F+3 0.00000 -0.02802 0.08135 0.05726 0.00000
|
|
228 14F-3 0.00000 0.18214 0.01511 0.04778 0.00000
|
|
229 15G 0 0.00000 0.15020 -0.14609 -0.00545 0.00000
|
|
230 15G+1 -0.12539 0.00000 0.00000 0.00000 0.01632
|
|
231 15G-1 0.22588 0.00000 0.00000 0.00000 0.09163
|
|
232 15G+2 0.00000 -0.12231 0.14413 -0.02855 0.00000
|
|
233 15G-2 0.00000 -0.01304 -0.04253 -0.10977 0.00000
|
|
234 15G+3 -0.38390 0.00000 0.00000 0.00000 -0.28742
|
|
235 15G-3 -0.03429 0.00000 0.00000 0.00000 0.02389
|
|
236 15G+4 0.00000 0.00252 -0.07109 0.03047 0.00000
|
|
237 15G-4 0.00000 0.17825 -0.15988 0.06995 0.00000
|
|
238 4 H 1S 0.00000 -0.15130 0.19378 -0.01365 0.00000
|
|
239 2S 0.00000 0.29164 -0.26832 0.00608 0.00000
|
|
240 3S 0.00000 -0.14413 0.81198 2.47295 0.00000
|
|
241 4S 0.00000 1.50970 0.68399 -1.45647 0.00000
|
|
242 5S 0.00000 -0.08902 -0.08489 0.09947 0.00000
|
|
243 6PX 0.00000 -0.13501 0.13045 0.09310 0.00000
|
|
244 6PY 0.00000 0.04442 -0.08417 0.04047 0.00000
|
|
245 6PZ 0.01783 0.00000 0.00000 0.00000 0.00000
|
|
246 7PX 0.00000 0.11286 -0.21864 -0.13083 0.00000
|
|
247 7PY 0.00000 -0.04076 0.05306 0.05446 0.00000
|
|
248 7PZ 0.00112 0.00000 0.00000 0.00000 0.00431
|
|
249 8PX 0.00000 -0.21773 -0.28268 -0.49241 0.00000
|
|
250 8PY 0.00000 -0.26044 -0.14175 0.44078 0.00000
|
|
251 8PZ 0.01280 0.00000 0.00000 0.00000 -0.27638
|
|
252 9PX 0.00000 -0.51164 -0.04885 0.58344 0.00000
|
|
253 9PY 0.00000 0.37669 0.89168 -0.85597 0.00000
|
|
254 9PZ -0.18934 0.00000 0.00000 0.00000 0.00783
|
|
255 10D 0 0.00000 -0.12764 -0.25721 0.18862 0.00000
|
|
256 10D+1 0.05521 0.00000 0.00000 0.00000 -0.19247
|
|
257 10D-1 -0.31320 0.00000 0.00000 0.00000 -0.16156
|
|
258 10D+2 0.00000 0.08079 -0.55177 -0.00026 0.00000
|
|
259 10D-2 0.00000 -0.22755 -0.04115 0.49288 0.00000
|
|
260 11D 0 0.00000 0.15325 0.23697 -0.29307 0.00000
|
|
261 11D+1 -0.07645 0.00000 0.00000 0.00000 0.25293
|
|
262 11D-1 0.34055 0.00000 0.00000 0.00000 0.12176
|
|
263 11D+2 0.00000 -0.02642 0.73592 -0.03820 0.00000
|
|
264 11D-2 0.00000 0.30019 0.07288 -0.67022 0.00000
|
|
265 12D 0 0.00000 -0.27708 -0.30091 0.70798 0.00000
|
|
266 12D+1 0.19291 0.00000 0.00000 0.00000 0.04953
|
|
267 12D-1 -0.27001 0.00000 0.00000 0.00000 0.09947
|
|
268 12D+2 0.00000 0.15659 -0.72541 0.15211 0.00000
|
|
269 12D-2 0.00000 -0.03233 -0.08247 0.79219 0.00000
|
|
270 13F 0 -0.16639 0.00000 0.00000 0.00000 0.04232
|
|
271 13F+1 0.00000 -0.10830 0.03143 0.29527 0.00000
|
|
272 13F-1 0.00000 0.04943 0.14668 -0.29768 0.00000
|
|
273 13F+2 -0.02489 0.00000 0.00000 0.00000 0.10173
|
|
274 13F-2 -0.07748 0.00000 0.00000 0.00000 0.12394
|
|
275 13F+3 0.00000 0.04353 -0.14726 0.30372 0.00000
|
|
276 13F-3 0.00000 -0.00538 0.20149 0.06458 0.00000
|
|
277 14F 0 0.18061 0.00000 0.00000 0.00000 -0.03129
|
|
278 14F+1 0.00000 0.16537 -0.01217 -0.48576 0.00000
|
|
279 14F-1 0.00000 -0.04907 -0.13324 0.39408 0.00000
|
|
280 14F+2 -0.00113 0.00000 0.00000 0.00000 -0.16080
|
|
281 14F-2 0.12405 0.00000 0.00000 0.00000 -0.17092
|
|
282 14F+3 0.00000 -0.09979 0.22560 -0.37954 0.00000
|
|
283 14F-3 0.00000 -0.02068 -0.25521 -0.17122 0.00000
|
|
284 15G 0 0.00000 0.16822 -0.00082 -0.44723 0.00000
|
|
285 15G+1 -0.09896 0.00000 0.00000 0.00000 0.01539
|
|
286 15G-1 0.09760 0.00000 0.00000 0.00000 -0.11686
|
|
287 15G+2 0.00000 -0.14337 0.12822 0.19214 0.00000
|
|
288 15G-2 0.00000 0.08715 -0.07367 -0.39862 0.00000
|
|
289 15G+3 -0.07724 0.00000 0.00000 0.00000 0.10881
|
|
290 15G-3 -0.13445 0.00000 0.00000 0.00000 0.09683
|
|
291 15G+4 0.00000 0.02076 -0.18620 0.27711 0.00000
|
|
292 15G-4 0.00000 -0.10565 0.22306 0.08257 0.00000
|
|
293 5 H 1S -0.09792 0.01585 -0.11363 -0.02380 -0.11538
|
|
294 2S 0.12351 -0.16597 0.48975 0.04777 0.44547
|
|
295 3S -0.71312 -1.13504 -0.48140 -0.79944 -0.26728
|
|
296 4S -1.17131 -1.01523 -1.15841 -0.89886 -0.57787
|
|
297 5S 0.12208 0.15185 0.05237 -0.00508 -0.01831
|
|
298 6PX -0.00516 -0.01274 0.03419 -0.02939 0.04555
|
|
299 6PY -0.03146 0.00183 0.02183 0.01842 0.00594
|
|
300 6PZ -0.00634 -0.01188 0.01062 -0.01571 -0.00711
|
|
301 7PX 0.04786 0.06760 -0.03077 0.00953 -0.11489
|
|
302 7PY 0.03448 0.06495 -0.03391 -0.00367 -0.05234
|
|
303 7PZ 0.09993 0.12280 -0.11708 0.01198 -0.07264
|
|
304 8PX 0.27605 0.12360 -0.10714 0.15083 -0.37193
|
|
305 8PY -0.45486 -0.08559 -0.02468 -0.11546 0.18756
|
|
306 8PZ 0.09280 0.24608 0.33324 0.35575 0.30692
|
|
307 9PX 0.25556 0.11436 -0.15635 0.10987 0.32082
|
|
308 9PY -0.21345 -0.16825 -0.30260 0.07516 0.07923
|
|
309 9PZ 0.04487 0.10787 0.76075 0.34431 0.15848
|
|
310 10D 0 0.20540 -0.18337 -0.24993 -0.06689 0.40409
|
|
311 10D+1 0.09853 0.30192 0.19192 0.29123 -0.42524
|
|
312 10D-1 -0.15463 0.21415 0.23614 -0.19206 0.17703
|
|
313 10D+2 -0.23216 -0.09721 0.05360 -0.14853 -0.18274
|
|
314 10D-2 0.16912 -0.40490 -0.45341 -0.12087 -0.12372
|
|
315 11D 0 -0.29107 0.14286 0.22153 0.00419 -0.49989
|
|
316 11D+1 -0.23736 -0.33429 -0.25214 -0.31405 0.50750
|
|
317 11D-1 0.25192 -0.24792 -0.27962 0.20866 -0.26683
|
|
318 11D+2 0.16111 0.09852 -0.05146 0.14552 0.26046
|
|
319 11D-2 -0.13423 0.39521 0.47001 0.13930 0.15538
|
|
320 12D 0 0.12645 -0.13198 -0.47629 -0.21236 -0.14338
|
|
321 12D+1 0.03964 0.36863 0.11033 0.11356 -0.02306
|
|
322 12D-1 0.26758 0.33411 0.25423 -0.18493 0.11564
|
|
323 12D+2 -0.28963 -0.24882 0.07077 -0.31619 0.00547
|
|
324 12D-2 0.22057 -0.33346 -0.22756 -0.07507 -0.27323
|
|
325 13F 0 -0.08565 -0.08336 -0.06112 -0.00654 -0.31272
|
|
326 13F+1 0.10486 0.07691 0.05018 0.04154 0.10155
|
|
327 13F-1 0.05001 0.02374 0.09780 -0.10756 0.08588
|
|
328 13F+2 -0.03212 -0.08643 -0.01384 -0.05313 0.03936
|
|
329 13F-2 0.02924 -0.04567 0.06846 -0.06914 0.03547
|
|
330 13F+3 -0.05168 0.03092 0.01583 -0.01104 0.11259
|
|
331 13F-3 -0.06009 -0.08577 0.00491 -0.04176 -0.05599
|
|
332 14F 0 0.09956 0.13429 0.12617 0.06337 0.40719
|
|
333 14F+1 -0.03251 -0.16323 0.01131 -0.03587 -0.10820
|
|
334 14F-1 -0.12796 -0.04808 -0.08432 0.15764 -0.08633
|
|
335 14F+2 0.09111 0.11099 0.02939 0.06673 -0.08255
|
|
336 14F-2 -0.09034 0.05128 -0.06158 0.08654 0.01448
|
|
337 14F+3 0.11461 -0.05055 -0.04927 0.04674 -0.17746
|
|
338 14F-3 0.05724 0.11629 -0.01545 0.07599 0.10458
|
|
339 15G 0 0.01994 -0.16625 -0.21413 -0.04617 -0.14026
|
|
340 15G+1 0.09313 0.08547 0.02537 0.02543 -0.02524
|
|
341 15G-1 0.02203 -0.05393 0.01262 -0.05740 0.19725
|
|
342 15G+2 0.06233 -0.07331 -0.04551 0.11517 -0.06442
|
|
343 15G-2 0.07276 0.02578 0.11701 -0.07481 0.06858
|
|
344 15G+3 -0.11866 0.05478 0.07442 0.00985 0.07098
|
|
345 15G-3 -0.01969 -0.09222 -0.03644 -0.07203 -0.11968
|
|
346 15G+4 -0.08008 0.08950 0.02669 0.04193 0.12015
|
|
347 15G-4 -0.18270 0.04662 0.05334 -0.03629 -0.02807
|
|
348 6 H 1S 0.09792 0.01585 -0.11363 -0.02380 0.11538
|
|
349 2S -0.12351 -0.16597 0.48975 0.04777 -0.44547
|
|
350 3S 0.71312 -1.13504 -0.48140 -0.79944 0.26728
|
|
351 4S 1.17131 -1.01523 -1.15841 -0.89886 0.57787
|
|
352 5S -0.12208 0.15185 0.05237 -0.00508 0.01831
|
|
353 6PX 0.00516 -0.01274 0.03419 -0.02939 -0.04555
|
|
354 6PY 0.03146 0.00183 0.02183 0.01842 -0.00594
|
|
355 6PZ -0.00634 0.01188 -0.01062 0.01571 -0.00711
|
|
356 7PX -0.04786 0.06760 -0.03077 0.00953 0.11489
|
|
357 7PY -0.03448 0.06495 -0.03391 -0.00367 0.05234
|
|
358 7PZ 0.09993 -0.12280 0.11708 -0.01198 -0.07264
|
|
359 8PX -0.27605 0.12360 -0.10714 0.15083 0.37193
|
|
360 8PY 0.45486 -0.08559 -0.02468 -0.11546 -0.18756
|
|
361 8PZ 0.09280 -0.24608 -0.33324 -0.35575 0.30692
|
|
362 9PX -0.25556 0.11436 -0.15635 0.10987 -0.32082
|
|
363 9PY 0.21345 -0.16825 -0.30260 0.07516 -0.07923
|
|
364 9PZ 0.04487 -0.10787 -0.76075 -0.34431 0.15848
|
|
365 10D 0 -0.20540 -0.18337 -0.24993 -0.06689 -0.40409
|
|
366 10D+1 0.09853 -0.30192 -0.19192 -0.29123 -0.42524
|
|
367 10D-1 -0.15463 -0.21415 -0.23614 0.19206 0.17703
|
|
368 10D+2 0.23216 -0.09721 0.05360 -0.14853 0.18274
|
|
369 10D-2 -0.16912 -0.40490 -0.45341 -0.12087 0.12372
|
|
370 11D 0 0.29107 0.14286 0.22153 0.00419 0.49989
|
|
371 11D+1 -0.23736 0.33429 0.25214 0.31405 0.50750
|
|
372 11D-1 0.25192 0.24792 0.27962 -0.20866 -0.26683
|
|
373 11D+2 -0.16111 0.09852 -0.05146 0.14552 -0.26046
|
|
374 11D-2 0.13423 0.39521 0.47001 0.13930 -0.15538
|
|
375 12D 0 -0.12645 -0.13198 -0.47629 -0.21236 0.14338
|
|
376 12D+1 0.03964 -0.36863 -0.11033 -0.11356 -0.02306
|
|
377 12D-1 0.26758 -0.33411 -0.25423 0.18493 0.11564
|
|
378 12D+2 0.28963 -0.24882 0.07077 -0.31619 -0.00547
|
|
379 12D-2 -0.22057 -0.33346 -0.22756 -0.07507 0.27323
|
|
380 13F 0 -0.08565 0.08336 0.06112 0.00654 -0.31272
|
|
381 13F+1 -0.10486 0.07691 0.05018 0.04154 -0.10155
|
|
382 13F-1 -0.05001 0.02374 0.09780 -0.10756 -0.08588
|
|
383 13F+2 -0.03212 0.08643 0.01384 0.05313 0.03936
|
|
384 13F-2 0.02924 0.04567 -0.06846 0.06914 0.03547
|
|
385 13F+3 0.05168 0.03092 0.01583 -0.01104 -0.11259
|
|
386 13F-3 0.06009 -0.08577 0.00491 -0.04176 0.05599
|
|
387 14F 0 0.09956 -0.13429 -0.12617 -0.06337 0.40719
|
|
388 14F+1 0.03251 -0.16323 0.01131 -0.03587 0.10820
|
|
389 14F-1 0.12796 -0.04808 -0.08432 0.15764 0.08633
|
|
390 14F+2 0.09111 -0.11099 -0.02939 -0.06673 -0.08255
|
|
391 14F-2 -0.09034 -0.05128 0.06158 -0.08654 0.01448
|
|
392 14F+3 -0.11461 -0.05055 -0.04927 0.04674 0.17746
|
|
393 14F-3 -0.05724 0.11629 -0.01545 0.07599 -0.10458
|
|
394 15G 0 -0.01994 -0.16625 -0.21413 -0.04617 0.14026
|
|
395 15G+1 0.09313 -0.08547 -0.02537 -0.02543 -0.02524
|
|
396 15G-1 0.02203 0.05393 -0.01262 0.05740 0.19725
|
|
397 15G+2 -0.06233 -0.07331 -0.04551 0.11517 0.06442
|
|
398 15G-2 -0.07276 0.02578 0.11701 -0.07481 -0.06858
|
|
399 15G+3 -0.11866 -0.05478 -0.07442 -0.00985 0.07098
|
|
400 15G-3 -0.01969 0.09222 0.03644 0.07203 -0.11968
|
|
401 15G+4 0.08008 0.08950 0.02669 0.04193 -0.12015
|
|
402 15G-4 0.18270 0.04662 0.05334 -0.03629 0.02807
|
|
311 312 313 314 315
|
|
V V V V V
|
|
Eigenvalues -- 14.28379 14.34625 14.36477 14.36527 14.38660
|
|
1 1 C 1S 0.00000 0.00800 0.00000 -0.00571 0.00000
|
|
2 2S 0.00000 -0.00286 0.00000 -0.01424 0.00000
|
|
3 3S 0.00000 0.01244 0.00000 -0.13510 0.00000
|
|
4 4S 0.00000 -0.36220 0.00000 1.03668 0.00000
|
|
5 5S 0.00000 -0.44067 0.00000 -1.05472 0.00000
|
|
6 6S 0.00000 0.11788 0.00000 -0.27277 0.00000
|
|
7 7PX 0.00000 -0.14399 0.00000 0.46057 0.00000
|
|
8 7PY 0.00000 0.05821 0.00000 0.14588 0.00000
|
|
9 7PZ -0.34585 0.00000 -0.22227 0.00000 0.11917
|
|
10 8PX 0.00000 0.53904 0.00000 -1.81934 0.00000
|
|
11 8PY 0.00000 -0.18581 0.00000 -0.45822 0.00000
|
|
12 8PZ 1.28982 0.00000 0.93779 0.00000 -0.54751
|
|
13 9PX 0.00000 0.69325 0.00000 2.82884 0.00000
|
|
14 9PY 0.00000 0.42359 0.00000 0.44885 0.00000
|
|
15 9PZ -1.43857 0.00000 -0.82410 0.00000 1.30699
|
|
16 10PX 0.00000 1.83149 0.00000 -1.03611 0.00000
|
|
17 10PY 0.00000 -0.57298 0.00000 0.36674 0.00000
|
|
18 10PZ 1.63728 0.00000 0.59705 0.00000 -0.15477
|
|
19 11PX 0.00000 0.10338 0.00000 -0.20237 0.00000
|
|
20 11PY 0.00000 -0.05830 0.00000 0.02921 0.00000
|
|
21 11PZ 0.17161 0.00000 0.11874 0.00000 -0.08637
|
|
22 12D 0 0.00000 0.02939 0.00000 0.36437 0.00000
|
|
23 12D+1 -0.19877 0.00000 0.00535 0.00000 0.12897
|
|
24 12D-1 -0.19271 0.00000 -0.09316 0.00000 0.07603
|
|
25 12D+2 0.00000 0.07390 0.00000 -0.11542 0.00000
|
|
26 12D-2 0.00000 -0.16109 0.00000 0.19098 0.00000
|
|
27 13D 0 0.00000 -0.15460 0.00000 -0.44851 0.00000
|
|
28 13D+1 0.19445 0.00000 0.02630 0.00000 -0.56052
|
|
29 13D-1 0.46195 0.00000 0.11731 0.00000 0.07384
|
|
30 13D+2 0.00000 0.00827 0.00000 0.23821 0.00000
|
|
31 13D-2 0.00000 0.53972 0.00000 -0.59912 0.00000
|
|
32 14D 0 0.00000 0.30182 0.00000 0.42198 0.00000
|
|
33 14D+1 0.00962 0.00000 -0.32791 0.00000 1.09513
|
|
34 14D-1 -0.67590 0.00000 0.42123 0.00000 0.28661
|
|
35 14D+2 0.00000 -0.30479 0.00000 -0.46150 0.00000
|
|
36 14D-2 0.00000 -0.59928 0.00000 1.67388 0.00000
|
|
37 15D 0 0.00000 -0.37021 0.00000 0.16508 0.00000
|
|
38 15D+1 0.11029 0.00000 -0.29031 0.00000 -0.40607
|
|
39 15D-1 0.23609 0.00000 0.37828 0.00000 0.64726
|
|
40 15D+2 0.00000 -0.04363 0.00000 0.06629 0.00000
|
|
41 15D-2 0.00000 0.49050 0.00000 0.10556 0.00000
|
|
42 16F 0 -0.10718 0.00000 0.04910 0.00000 -0.28379
|
|
43 16F+1 0.00000 -0.00381 0.00000 0.12024 0.00000
|
|
44 16F-1 0.00000 -0.07872 0.00000 -0.02463 0.00000
|
|
45 16F+2 0.16272 0.00000 -0.02844 0.00000 -0.24581
|
|
46 16F-2 -0.02208 0.00000 -0.00673 0.00000 -0.07365
|
|
47 16F+3 0.00000 -0.03652 0.00000 -0.05056 0.00000
|
|
48 16F-3 0.00000 -0.05813 0.00000 0.06164 0.00000
|
|
49 17F 0 0.23800 0.00000 -0.24853 0.00000 0.64935
|
|
50 17F+1 0.00000 -0.04619 0.00000 -0.25548 0.00000
|
|
51 17F-1 0.00000 0.16437 0.00000 0.01428 0.00000
|
|
52 17F+2 -0.46337 0.00000 -0.09348 0.00000 0.51721
|
|
53 17F-2 0.09025 0.00000 0.06816 0.00000 -0.02645
|
|
54 17F+3 0.00000 -0.10577 0.00000 -0.17515 0.00000
|
|
55 17F-3 0.00000 0.13817 0.00000 -0.16530 0.00000
|
|
56 18F 0 -0.28694 0.00000 -0.17722 0.00000 0.52417
|
|
57 18F+1 0.00000 -0.14228 0.00000 -0.13428 0.00000
|
|
58 18F-1 0.00000 0.15491 0.00000 -0.01451 0.00000
|
|
59 18F+2 -0.25854 0.00000 -0.30915 0.00000 0.74988
|
|
60 18F-2 -0.16161 0.00000 -0.18228 0.00000 0.21520
|
|
61 18F+3 0.00000 -0.22033 0.00000 0.22675 0.00000
|
|
62 18F-3 0.00000 0.02952 0.00000 -0.05086 0.00000
|
|
63 19G 0 0.00000 0.10360 0.00000 0.25546 0.00000
|
|
64 19G+1 0.02250 0.00000 -0.13988 0.00000 0.07009
|
|
65 19G-1 0.01285 0.00000 0.20399 0.00000 -0.03381
|
|
66 19G+2 0.00000 -0.03096 0.00000 -0.04992 0.00000
|
|
67 19G-2 0.00000 0.04223 0.00000 0.03822 0.00000
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327 13F-1 0.00715 -0.10874 0.09247 0.05624 0.14836
|
|
328 13F+2 -0.03402 0.20442 0.16553 -0.04299 -0.33654
|
|
329 13F-2 0.05999 0.10733 -0.00461 -0.22675 0.08924
|
|
330 13F+3 -0.06543 0.02998 0.24160 0.06334 -0.17230
|
|
331 13F-3 -0.04169 0.08772 0.11791 -0.06166 -0.09906
|
|
332 14F 0 -0.32509 0.22376 -0.08119 -0.11172 0.03592
|
|
333 14F+1 0.03809 0.09686 0.21122 0.06386 0.11582
|
|
334 14F-1 0.07526 0.07464 -0.10197 -0.10237 -0.10893
|
|
335 14F+2 0.08884 -0.20414 -0.07158 -0.03113 0.29549
|
|
336 14F-2 -0.04847 -0.08127 0.01517 0.14425 -0.08939
|
|
337 14F+3 0.16507 0.00927 -0.27417 -0.01477 0.13466
|
|
338 14F-3 0.05884 -0.04743 -0.16564 -0.00085 0.12178
|
|
339 15G 0 0.14286 -0.24699 0.01958 0.07065 0.01426
|
|
340 15G+1 0.01548 -0.19334 0.10191 0.01740 -0.07324
|
|
341 15G-1 0.11662 -0.04091 -0.06217 0.27309 -0.06204
|
|
342 15G+2 0.01190 0.21370 -0.13012 0.01600 -0.28079
|
|
343 15G-2 0.01944 0.00054 -0.08440 -0.20143 0.09282
|
|
344 15G+3 -0.13308 0.01522 0.04532 0.12943 -0.23957
|
|
345 15G-3 0.00721 0.03092 -0.03231 -0.18650 -0.09067
|
|
346 15G+4 -0.06338 -0.00567 0.03301 0.06784 0.07852
|
|
347 15G-4 -0.11407 -0.05107 0.11899 -0.09739 -0.01533
|
|
348 6 H 1S 0.24114 0.03309 0.10135 0.16506 -0.16932
|
|
349 2S -0.95811 0.00112 -0.48435 -0.68096 0.52928
|
|
350 3S 0.22656 -0.30435 -0.01425 -0.12071 0.78566
|
|
351 4S 1.47860 -0.48247 0.85328 0.69652 -0.64617
|
|
352 5S 0.00249 0.01774 0.02815 0.03375 -0.00776
|
|
353 6PX -0.01465 0.03035 -0.01451 -0.07007 0.01852
|
|
354 6PY 0.03965 -0.00700 0.03329 -0.02171 -0.08982
|
|
355 6PZ 0.07944 -0.00397 0.05548 0.00146 -0.08296
|
|
356 7PX 0.11162 0.00188 0.07091 0.04852 -0.06993
|
|
357 7PY 0.08135 -0.00451 0.04953 0.06871 -0.04008
|
|
358 7PZ -0.20554 0.01792 -0.11158 -0.18010 0.13116
|
|
359 8PX -0.04779 0.35978 -0.01317 -0.69922 0.07328
|
|
360 8PY 0.08255 0.01877 0.38552 -0.29467 -0.99828
|
|
361 8PZ 0.18135 -0.03931 0.28198 -0.56669 -0.09993
|
|
362 9PX -0.45691 -0.40073 -0.42874 0.09871 -0.10637
|
|
363 9PY -0.20705 -0.09270 0.01043 -0.14879 0.50657
|
|
364 9PZ 0.43688 -0.50078 0.37881 0.40387 -0.30702
|
|
365 10D 0 0.22043 -0.29988 0.11047 0.15066 -0.02477
|
|
366 10D+1 -0.21005 -0.20831 0.00446 -0.08973 0.09126
|
|
367 10D-1 0.23644 -0.00942 -0.20546 -0.03148 0.23274
|
|
368 10D+2 -0.11407 -0.13218 0.54240 -0.15997 0.24685
|
|
369 10D-2 0.04686 0.02099 0.01598 -0.37980 0.09947
|
|
370 11D 0 -0.07656 0.40589 0.08014 -0.46630 -0.21843
|
|
371 11D+1 0.16724 0.34240 -0.04738 -0.08180 0.05795
|
|
372 11D-1 -0.23923 -0.03011 0.32500 0.00446 -0.55792
|
|
373 11D+2 0.16574 0.04192 -0.48121 0.26541 -0.45693
|
|
374 11D-2 -0.08868 -0.10098 -0.09235 0.64812 0.03779
|
|
375 12D 0 -0.03522 -0.39812 0.15371 0.05729 -0.08388
|
|
376 12D+1 -0.34128 -0.13998 -0.32545 -0.05595 0.06269
|
|
377 12D-1 -0.08311 0.03024 -0.01471 -0.10961 0.25295
|
|
378 12D+2 0.09947 0.03498 0.03434 -0.02976 0.35420
|
|
379 12D-2 -0.06074 0.11235 -0.00054 -0.14192 0.05814
|
|
380 13F 0 0.32666 0.19202 0.19774 -0.22174 -0.18107
|
|
381 13F+1 -0.08186 -0.05004 0.08327 -0.05561 0.27219
|
|
382 13F-1 -0.00715 -0.10874 -0.09247 0.05624 -0.14836
|
|
383 13F+2 -0.03402 -0.20442 0.16553 0.04299 -0.33654
|
|
384 13F-2 0.05999 -0.10733 -0.00461 0.22675 0.08924
|
|
385 13F+3 0.06543 0.02998 -0.24160 0.06334 0.17230
|
|
386 13F-3 0.04169 0.08772 -0.11791 -0.06166 0.09906
|
|
387 14F 0 -0.32509 -0.22376 -0.08119 0.11172 0.03592
|
|
388 14F+1 -0.03809 0.09686 -0.21122 0.06386 -0.11582
|
|
389 14F-1 -0.07526 0.07464 0.10197 -0.10237 0.10893
|
|
390 14F+2 0.08884 0.20414 -0.07158 0.03113 0.29549
|
|
391 14F-2 -0.04847 0.08127 0.01517 -0.14425 -0.08939
|
|
392 14F+3 -0.16507 0.00927 0.27417 -0.01477 -0.13466
|
|
393 14F-3 -0.05884 -0.04743 0.16564 -0.00085 -0.12178
|
|
394 15G 0 -0.14286 -0.24699 -0.01958 0.07065 -0.01426
|
|
395 15G+1 0.01548 0.19334 0.10191 -0.01740 -0.07324
|
|
396 15G-1 0.11662 0.04091 -0.06217 -0.27309 -0.06204
|
|
397 15G+2 -0.01190 0.21370 0.13012 0.01600 0.28079
|
|
398 15G-2 -0.01944 0.00054 0.08440 -0.20143 -0.09282
|
|
399 15G+3 -0.13308 -0.01522 0.04532 -0.12943 -0.23957
|
|
400 15G-3 0.00721 -0.03092 -0.03231 0.18650 -0.09067
|
|
401 15G+4 0.06338 -0.00567 -0.03301 0.06784 -0.07852
|
|
402 15G-4 0.11407 -0.05107 -0.11899 -0.09739 0.01533
|
|
316 317 318 319 320
|
|
V V V V V
|
|
Eigenvalues -- 14.40639 14.42847 14.44446 14.47759 14.48556
|
|
1 1 C 1S 0.01874 0.03108 0.00000 0.06423 0.00000
|
|
2 2S -0.06718 -0.05915 0.00000 -0.03907 0.00000
|
|
3 3S -0.30391 -0.07085 0.00000 -0.13040 0.00000
|
|
4 4S -0.88262 -3.31894 0.00000 -3.04559 0.00000
|
|
5 5S 3.02319 5.80788 0.00000 1.14479 0.00000
|
|
6 6S -0.59069 -0.70086 0.00000 -1.68936 0.00000
|
|
7 7PX 0.26783 -0.03534 0.00000 -0.00784 0.00000
|
|
8 7PY -0.07313 0.03777 0.00000 0.25240 0.00000
|
|
9 7PZ 0.00000 0.00000 0.25027 0.00000 0.34863
|
|
10 8PX -1.17981 0.12264 0.00000 0.06380 0.00000
|
|
11 8PY 0.11359 -0.56278 0.00000 -1.64341 0.00000
|
|
12 8PZ 0.00000 0.00000 -1.13785 0.00000 -1.38542
|
|
13 9PX 2.20622 0.49004 0.00000 -0.74209 0.00000
|
|
14 9PY 0.24841 1.67702 0.00000 4.89376 0.00000
|
|
15 9PZ 0.00000 0.00000 3.74786 0.00000 2.54717
|
|
16 10PX -0.86228 0.44788 0.00000 -0.22374 0.00000
|
|
17 10PY 1.13265 1.34103 0.00000 0.19451 0.00000
|
|
18 10PZ 0.00000 0.00000 0.16886 0.00000 -0.24241
|
|
19 11PX -0.23325 0.03747 0.00000 -0.00449 0.00000
|
|
20 11PY 0.11571 -0.07900 0.00000 -0.17058 0.00000
|
|
21 11PZ 0.00000 0.00000 -0.16227 0.00000 -0.15380
|
|
22 12D 0 0.13770 0.00662 0.00000 -0.09733 0.00000
|
|
23 12D+1 0.00000 0.00000 0.24873 0.00000 0.28132
|
|
24 12D-1 0.00000 0.00000 0.09109 0.00000 0.09158
|
|
25 12D+2 -0.16453 0.05941 0.00000 -0.10669 0.00000
|
|
26 12D-2 0.15525 0.02516 0.00000 -0.02665 0.00000
|
|
27 13D 0 -0.56783 -0.03421 0.00000 0.19024 0.00000
|
|
28 13D+1 0.00000 0.00000 -0.49787 0.00000 -0.35346
|
|
29 13D-1 0.00000 0.00000 -0.39838 0.00000 -0.36327
|
|
30 13D+2 0.11537 -0.11041 0.00000 -0.02982 0.00000
|
|
31 13D-2 -0.23928 -0.05158 0.00000 0.05121 0.00000
|
|
32 14D 0 1.57734 0.87313 0.00000 0.08511 0.00000
|
|
33 14D+1 0.00000 0.00000 1.63187 0.00000 0.64095
|
|
34 14D-1 0.00000 0.00000 1.81997 0.00000 1.55715
|
|
35 14D+2 0.08531 0.68946 0.00000 1.91323 0.00000
|
|
36 14D-2 0.81116 0.05893 0.00000 -0.29367 0.00000
|
|
37 15D 0 0.00078 0.15159 0.00000 -0.16082 0.00000
|
|
38 15D+1 0.00000 0.00000 -0.23151 0.00000 0.14608
|
|
39 15D-1 0.00000 0.00000 0.58520 0.00000 0.04184
|
|
40 15D+2 0.26794 0.03666 0.00000 0.00630 0.00000
|
|
41 15D-2 0.64858 0.07773 0.00000 -0.26946 0.00000
|
|
42 16F 0 0.00000 0.00000 -0.01138 0.00000 -0.03480
|
|
43 16F+1 -0.28547 -0.10031 0.00000 -0.40287 0.00000
|
|
44 16F-1 0.02235 -0.13544 0.00000 -0.06970 0.00000
|
|
45 16F+2 0.00000 0.00000 -0.16571 0.00000 0.00516
|
|
46 16F-2 0.00000 0.00000 -0.12390 0.00000 -0.10897
|
|
47 16F+3 -0.29580 0.18920 0.00000 0.16199 0.00000
|
|
48 16F-3 0.01064 -0.03530 0.00000 -0.28380 0.00000
|
|
49 17F 0 0.00000 0.00000 -0.19441 0.00000 0.05455
|
|
50 17F+1 0.60682 0.13933 0.00000 0.82863 0.00000
|
|
51 17F-1 -0.12732 0.37433 0.00000 0.15800 0.00000
|
|
52 17F+2 0.00000 0.00000 0.17098 0.00000 0.01058
|
|
53 17F-2 0.00000 0.00000 0.09245 0.00000 0.06058
|
|
54 17F+3 0.59303 -0.61617 0.00000 -0.22104 0.00000
|
|
55 17F-3 0.23303 0.14743 0.00000 0.58293 0.00000
|
|
56 18F 0 0.00000 0.00000 0.02583 0.00000 0.34328
|
|
57 18F+1 0.75325 0.44021 0.00000 0.68248 0.00000
|
|
58 18F-1 0.31447 0.80376 0.00000 0.42670 0.00000
|
|
59 18F+2 0.00000 0.00000 0.08656 0.00000 0.11612
|
|
60 18F-2 0.00000 0.00000 0.82540 0.00000 0.23774
|
|
61 18F+3 0.73697 -0.61301 0.00000 -0.41427 0.00000
|
|
62 18F-3 -0.02224 0.46898 0.00000 0.83110 0.00000
|
|
63 19G 0 -0.03321 -0.12492 0.00000 -0.01526 0.00000
|
|
64 19G+1 0.00000 0.00000 -0.16124 0.00000 -0.01288
|
|
65 19G-1 0.00000 0.00000 0.01442 0.00000 -0.04223
|
|
66 19G+2 0.03445 -0.18118 0.00000 -0.02116 0.00000
|
|
67 19G-2 -0.02237 0.01092 0.00000 -0.16446 0.00000
|
|
68 19G+3 0.00000 0.00000 -0.10757 0.00000 0.12635
|
|
69 19G-3 0.00000 0.00000 -0.01531 0.00000 -0.03468
|
|
70 19G+4 -0.05155 -0.05052 0.00000 -0.14711 0.00000
|
|
71 19G-4 -0.06778 0.05905 0.00000 0.00070 0.00000
|
|
72 20G 0 0.14998 0.14560 0.00000 -0.27453 0.00000
|
|
73 20G+1 0.00000 0.00000 0.45772 0.00000 0.67936
|
|
74 20G-1 0.00000 0.00000 0.11327 0.00000 0.45511
|
|
75 20G+2 0.81880 -0.08455 0.00000 -0.19436 0.00000
|
|
76 20G-2 0.10742 0.22768 0.00000 0.80083 0.00000
|
|
77 20G+3 0.00000 0.00000 -0.08751 0.00000 -0.23032
|
|
78 20G-3 0.00000 0.00000 0.18900 0.00000 0.09345
|
|
79 20G+4 -0.30999 0.20143 0.00000 -0.16656 0.00000
|
|
80 20G-4 0.09379 -0.00876 0.00000 -0.35436 0.00000
|
|
81 21H 0 0.00000 0.00000 -0.16884 0.00000 0.07757
|
|
82 21H+1 0.04576 -0.00072 0.00000 -0.17079 0.00000
|
|
83 21H-1 0.05939 -0.06797 0.00000 0.01189 0.00000
|
|
84 21H+2 0.00000 0.00000 -0.12037 0.00000 -0.13783
|
|
85 21H-2 0.00000 0.00000 0.20432 0.00000 0.29072
|
|
86 21H+3 0.16516 -0.12891 0.00000 -0.12394 0.00000
|
|
87 21H-3 0.25595 -0.11560 0.00000 -0.00060 0.00000
|
|
88 21H+4 0.00000 0.00000 -0.11296 0.00000 0.02066
|
|
89 21H-4 0.00000 0.00000 -0.21004 0.00000 -0.13696
|
|
90 21H+5 0.15353 -0.00996 0.00000 0.14830 0.00000
|
|
91 21H-5 -0.03359 -0.08197 0.00000 0.11880 0.00000
|
|
92 2 O 1S 0.00343 0.00240 0.00000 -0.00480 0.00000
|
|
93 2S -0.02362 0.03731 0.00000 0.05473 0.00000
|
|
94 3S -0.06583 0.20995 0.00000 0.21675 0.00000
|
|
95 4S -0.02270 -0.59581 0.00000 -0.52029 0.00000
|
|
96 5S -0.53157 0.41218 0.00000 1.07466 0.00000
|
|
97 6S -0.49468 1.12356 0.00000 1.39016 0.00000
|
|
98 7PX -0.05394 -0.04599 0.00000 0.02754 0.00000
|
|
99 7PY -0.05063 -0.01066 0.00000 -0.11239 0.00000
|
|
100 7PZ 0.00000 0.00000 0.02591 0.00000 0.02172
|
|
101 8PX 0.07188 0.00864 0.00000 0.00945 0.00000
|
|
102 8PY 0.02920 0.05573 0.00000 0.07525 0.00000
|
|
103 8PZ 0.00000 0.00000 -0.06740 0.00000 -0.01367
|
|
104 9PX -0.37512 0.23903 0.00000 0.24427 0.00000
|
|
105 9PY 0.07088 -0.37332 0.00000 -0.13129 0.00000
|
|
106 9PZ 0.00000 0.00000 0.14542 0.00000 -0.03405
|
|
107 10PX 0.48037 -0.08547 0.00000 -0.70011 0.00000
|
|
108 10PY -0.24527 0.62603 0.00000 2.28190 0.00000
|
|
109 10PZ 0.00000 0.00000 0.24733 0.00000 0.11550
|
|
110 11PX -0.14687 0.00317 0.00000 0.04521 0.00000
|
|
111 11PY 0.10012 0.16905 0.00000 0.17487 0.00000
|
|
112 11PZ 0.00000 0.00000 0.12310 0.00000 0.02192
|
|
113 12D 0 -0.01189 -0.00121 0.00000 0.01531 0.00000
|
|
114 12D+1 0.00000 0.00000 0.00398 0.00000 -0.00471
|
|
115 12D-1 0.00000 0.00000 0.01824 0.00000 -0.01558
|
|
116 12D+2 0.00104 0.00963 0.00000 -0.00460 0.00000
|
|
117 12D-2 -0.01283 0.02106 0.00000 0.00443 0.00000
|
|
118 13D 0 -0.00592 0.10954 0.00000 0.03166 0.00000
|
|
119 13D+1 0.00000 0.00000 -0.00342 0.00000 0.03268
|
|
120 13D-1 0.00000 0.00000 -0.01286 0.00000 0.04241
|
|
121 13D+2 0.00981 0.00989 0.00000 0.15109 0.00000
|
|
122 13D-2 -0.08162 0.13053 0.00000 0.01076 0.00000
|
|
123 14D 0 0.02033 -0.31705 0.00000 -0.15497 0.00000
|
|
124 14D+1 0.00000 0.00000 0.08770 0.00000 -0.09256
|
|
125 14D-1 0.00000 0.00000 0.10277 0.00000 -0.33715
|
|
126 14D+2 -0.24800 0.09941 0.00000 -0.31911 0.00000
|
|
127 14D-2 0.15090 -0.24004 0.00000 -0.11979 0.00000
|
|
128 15D 0 0.09856 -0.13378 0.00000 -0.27796 0.00000
|
|
129 15D+1 0.00000 0.00000 0.24635 0.00000 -0.16999
|
|
130 15D-1 0.00000 0.00000 -0.03355 0.00000 0.13138
|
|
131 15D+2 0.01511 -0.18346 0.00000 -1.20513 0.00000
|
|
132 15D-2 0.34240 -0.28958 0.00000 0.19274 0.00000
|
|
133 16F 0 0.00000 0.00000 0.00157 0.00000 0.00549
|
|
134 16F+1 0.01368 0.00345 0.00000 -0.00315 0.00000
|
|
135 16F-1 0.00898 -0.00388 0.00000 0.00528 0.00000
|
|
136 16F+2 0.00000 0.00000 -0.00463 0.00000 0.00746
|
|
137 16F-2 0.00000 0.00000 -0.00316 0.00000 0.02272
|
|
138 16F+3 -0.00281 0.02379 0.00000 -0.00648 0.00000
|
|
139 16F-3 0.00536 -0.01467 0.00000 -0.01096 0.00000
|
|
140 17F 0 0.00000 0.00000 -0.06366 0.00000 0.00244
|
|
141 17F+1 -0.01082 -0.10681 0.00000 0.04916 0.00000
|
|
142 17F-1 0.01839 0.04773 0.00000 -0.02948 0.00000
|
|
143 17F+2 0.00000 0.00000 -0.00506 0.00000 -0.08103
|
|
144 17F-2 0.00000 0.00000 0.04434 0.00000 -0.19147
|
|
145 17F+3 -0.02257 -0.04436 0.00000 0.11452 0.00000
|
|
146 17F-3 -0.00934 0.16345 0.00000 -0.07978 0.00000
|
|
147 18F 0 0.00000 0.00000 0.03639 0.00000 0.02497
|
|
148 18F+1 -0.16262 -0.09875 0.00000 0.13695 0.00000
|
|
149 18F-1 0.12523 0.00428 0.00000 -0.30067 0.00000
|
|
150 18F+2 0.00000 0.00000 0.13027 0.00000 -0.30226
|
|
151 18F-2 0.00000 0.00000 0.06483 0.00000 -0.18037
|
|
152 18F+3 -0.22910 0.31291 0.00000 -0.15680 0.00000
|
|
153 18F-3 0.04240 -0.11643 0.00000 -0.31402 0.00000
|
|
154 19G 0 -0.01304 -0.02699 0.00000 0.00933 0.00000
|
|
155 19G+1 0.00000 0.00000 0.01210 0.00000 -0.00763
|
|
156 19G-1 0.00000 0.00000 0.05348 0.00000 -0.01815
|
|
157 19G+2 0.00318 0.02032 0.00000 -0.01928 0.00000
|
|
158 19G-2 -0.02805 0.00936 0.00000 0.00902 0.00000
|
|
159 19G+3 0.00000 0.00000 0.00461 0.00000 0.03902
|
|
160 19G-3 0.00000 0.00000 0.01630 0.00000 0.01879
|
|
161 19G+4 -0.01487 -0.00590 0.00000 -0.02679 0.00000
|
|
162 19G-4 -0.00977 -0.01732 0.00000 0.00161 0.00000
|
|
163 20G 0 0.03335 0.08800 0.00000 -0.02700 0.00000
|
|
164 20G+1 0.00000 0.00000 -0.01452 0.00000 0.03204
|
|
165 20G-1 0.00000 0.00000 -0.00572 0.00000 0.11177
|
|
166 20G+2 -0.05891 -0.07602 0.00000 0.07558 0.00000
|
|
167 20G-2 -0.00350 0.08272 0.00000 -0.01268 0.00000
|
|
168 20G+3 0.00000 0.00000 0.07296 0.00000 -0.25452
|
|
169 20G-3 0.00000 0.00000 0.03597 0.00000 -0.17337
|
|
170 20G+4 0.00642 0.00486 0.00000 0.06008 0.00000
|
|
171 20G-4 0.04518 0.25471 0.00000 -0.13061 0.00000
|
|
172 21H 0 0.00000 0.00000 -0.29083 0.00000 0.04500
|
|
173 21H+1 -0.00495 -0.38686 0.00000 0.15073 0.00000
|
|
174 21H-1 0.08529 -0.09728 0.00000 0.01686 0.00000
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175 21H+2 0.00000 0.00000 -0.15284 0.00000 -0.12015
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|
176 21H-2 0.00000 0.00000 0.31122 0.00000 -0.18621
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177 21H+3 0.11152 -0.25789 0.00000 0.08872 0.00000
|
|
178 21H-3 -0.03571 0.21732 0.00000 -0.09415 0.00000
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|
179 21H+4 0.00000 0.00000 -0.01994 0.00000 0.15228
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180 21H-4 0.00000 0.00000 0.08512 0.00000 0.08646
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181 21H+5 0.00551 -0.00575 0.00000 0.02003 0.00000
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182 21H-5 -0.03827 -0.08690 0.00000 0.04671 0.00000
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183 3 H 1S -0.22111 0.10594 0.00000 0.65527 0.00000
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184 2S 0.89820 -0.33213 0.00000 -1.75097 0.00000
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185 3S 0.03872 -1.63365 0.00000 -2.56192 0.00000
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186 4S -1.41852 0.52157 0.00000 1.32734 0.00000
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187 5S -0.05066 0.08745 0.00000 0.13714 0.00000
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188 6PX -0.11260 0.00138 0.00000 -0.04318 0.00000
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189 6PY -0.08583 0.02582 0.00000 -0.07695 0.00000
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190 6PZ 0.00000 0.00000 -0.05734 0.00000 -0.08260
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191 7PX 0.22773 -0.10898 0.00000 -0.36633 0.00000
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192 7PY -0.04177 0.01690 0.00000 0.11385 0.00000
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193 7PZ 0.00000 0.00000 -0.03172 0.00000 -0.04196
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194 8PX -0.14416 -0.25041 0.00000 -1.13899 0.00000
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195 8PY -0.56064 0.42379 0.00000 -0.29087 0.00000
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196 8PZ 0.00000 0.00000 -0.31601 0.00000 -0.53479
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197 9PX -0.59341 0.37554 0.00000 1.00903 0.00000
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198 9PY 0.33163 -0.23035 0.00000 -0.40415 0.00000
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199 9PZ 0.00000 0.00000 -0.16111 0.00000 0.16448
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200 10D 0 0.19416 -0.01263 0.00000 -0.22690 0.00000
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201 10D+1 0.00000 0.00000 0.05700 0.00000 -0.08247
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202 10D-1 0.00000 0.00000 0.24641 0.00000 0.00937
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203 10D+2 -0.10229 0.16684 0.00000 0.43832 0.00000
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204 10D-2 -0.07482 -0.22035 0.00000 -0.37358 0.00000
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|
205 11D 0 -0.14913 0.08246 0.00000 0.31888 0.00000
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206 11D+1 0.00000 0.00000 -0.27775 0.00000 -0.25375
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207 11D-1 0.00000 0.00000 -0.23759 0.00000 0.11382
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|
208 11D+2 -0.15311 -0.13296 0.00000 -0.74743 0.00000
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209 11D-2 -0.12470 0.34846 0.00000 0.18916 0.00000
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|
210 12D 0 0.28683 -0.46243 0.00000 -0.42700 0.00000
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211 12D+1 0.00000 0.00000 -0.12784 0.00000 -0.06107
|
|
212 12D-1 0.00000 0.00000 0.17437 0.00000 -0.03777
|
|
213 12D+2 -0.03931 0.29090 0.00000 0.48265 0.00000
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214 12D-2 -0.05959 -0.25480 0.00000 -0.44979 0.00000
|
|
215 13F 0 0.00000 0.00000 -0.05240 0.00000 0.15449
|
|
216 13F+1 0.08784 0.21792 0.00000 -0.03159 0.00000
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|
217 13F-1 0.00797 -0.00837 0.00000 0.08568 0.00000
|
|
218 13F+2 0.00000 0.00000 -0.05785 0.00000 -0.14562
|
|
219 13F-2 0.00000 0.00000 0.00647 0.00000 0.13660
|
|
220 13F+3 -0.28811 0.11078 0.00000 -0.10529 0.00000
|
|
221 13F-3 -0.03500 0.05534 0.00000 -0.25710 0.00000
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|
222 14F 0 0.00000 0.00000 0.11905 0.00000 -0.02818
|
|
223 14F+1 0.00872 -0.34744 0.00000 -0.08807 0.00000
|
|
224 14F-1 -0.01930 0.06420 0.00000 0.01424 0.00000
|
|
225 14F+2 0.00000 0.00000 -0.12006 0.00000 0.03192
|
|
226 14F-2 0.00000 0.00000 -0.04616 0.00000 -0.12796
|
|
227 14F+3 0.10480 -0.02502 0.00000 0.07912 0.00000
|
|
228 14F-3 -0.00634 -0.09915 0.00000 0.04392 0.00000
|
|
229 15G 0 -0.01110 0.15584 0.00000 0.09555 0.00000
|
|
230 15G+1 0.00000 0.00000 -0.03387 0.00000 -0.01706
|
|
231 15G-1 0.00000 0.00000 0.06331 0.00000 0.02417
|
|
232 15G+2 -0.19876 -0.07985 0.00000 -0.06221 0.00000
|
|
233 15G-2 0.00315 0.17320 0.00000 0.04827 0.00000
|
|
234 15G+3 0.00000 0.00000 -0.21541 0.00000 -0.01982
|
|
235 15G-3 0.00000 0.00000 -0.09025 0.00000 -0.28211
|
|
236 15G+4 0.02591 -0.05010 0.00000 0.11073 0.00000
|
|
237 15G-4 -0.01473 -0.07660 0.00000 -0.02667 0.00000
|
|
238 4 H 1S 0.04901 0.07205 0.00000 -0.00238 0.00000
|
|
239 2S -0.12486 -0.16991 0.00000 0.05527 0.00000
|
|
240 3S 0.39611 -0.49896 0.00000 0.75051 0.00000
|
|
241 4S 1.23499 -0.29450 0.00000 -0.54108 0.00000
|
|
242 5S 0.07343 0.00486 0.00000 -0.00474 0.00000
|
|
243 6PX 0.05800 -0.02978 0.00000 0.01401 0.00000
|
|
244 6PY -0.04144 0.00246 0.00000 0.01286 0.00000
|
|
245 6PZ 0.00000 0.00000 -0.00279 0.00000 -0.03833
|
|
246 7PX -0.06296 0.04817 0.00000 -0.01777 0.00000
|
|
247 7PY 0.01261 -0.02807 0.00000 0.01482 0.00000
|
|
248 7PZ 0.00000 0.00000 0.00699 0.00000 0.00946
|
|
249 8PX -0.23114 0.29410 0.00000 0.08842 0.00000
|
|
250 8PY 0.18471 -0.19502 0.00000 0.06875 0.00000
|
|
251 8PZ 0.00000 0.00000 -0.14684 0.00000 0.15769
|
|
252 9PX -0.48628 0.12903 0.00000 0.29511 0.00000
|
|
253 9PY 0.55155 -0.19434 0.00000 -0.20542 0.00000
|
|
254 9PZ 0.00000 0.00000 -0.05394 0.00000 0.04670
|
|
255 10D 0 -0.32803 -0.35261 0.00000 0.22456 0.00000
|
|
256 10D+1 0.00000 0.00000 0.08778 0.00000 -0.17544
|
|
257 10D-1 0.00000 0.00000 0.25621 0.00000 -0.66067
|
|
258 10D+2 -0.21601 0.07913 0.00000 0.04081 0.00000
|
|
259 10D-2 0.04477 0.22389 0.00000 -0.01913 0.00000
|
|
260 11D 0 0.33862 0.38549 0.00000 -0.23572 0.00000
|
|
261 11D+1 0.00000 0.00000 -0.05983 0.00000 0.17685
|
|
262 11D-1 0.00000 0.00000 -0.30263 0.00000 0.70813
|
|
263 11D+2 0.27144 -0.08442 0.00000 -0.09667 0.00000
|
|
264 11D-2 -0.05744 -0.18510 0.00000 0.01008 0.00000
|
|
265 12D 0 -0.23197 0.04936 0.00000 0.19518 0.00000
|
|
266 12D+1 0.00000 0.00000 0.12283 0.00000 -0.02283
|
|
267 12D-1 0.00000 0.00000 0.09504 0.00000 0.06867
|
|
268 12D+2 -0.05315 0.12786 0.00000 -0.20700 0.00000
|
|
269 12D-2 -0.34515 0.22347 0.00000 0.18222 0.00000
|
|
270 13F 0 0.00000 0.00000 0.04190 0.00000 0.00039
|
|
271 13F+1 0.03773 0.10303 0.00000 -0.00476 0.00000
|
|
272 13F-1 0.08713 -0.04699 0.00000 0.03689 0.00000
|
|
273 13F+2 0.00000 0.00000 0.02732 0.00000 0.16056
|
|
274 13F-2 0.00000 0.00000 -0.04158 0.00000 0.16915
|
|
275 13F+3 -0.02342 0.02108 0.00000 -0.05525 0.00000
|
|
276 13F-3 -0.09485 -0.05023 0.00000 0.06576 0.00000
|
|
277 14F 0 0.00000 0.00000 -0.02165 0.00000 0.01894
|
|
278 14F+1 -0.07002 -0.21122 0.00000 0.02970 0.00000
|
|
279 14F-1 -0.08674 0.07334 0.00000 -0.02672 0.00000
|
|
280 14F+2 0.00000 0.00000 -0.02626 0.00000 -0.32622
|
|
281 14F-2 0.00000 0.00000 0.11591 0.00000 -0.39898
|
|
282 14F+3 0.01023 -0.13355 0.00000 0.14094 0.00000
|
|
283 14F-3 0.20669 0.10584 0.00000 -0.18051 0.00000
|
|
284 15G 0 -0.06192 -0.08206 0.00000 0.04440 0.00000
|
|
285 15G+1 0.00000 0.00000 -0.00879 0.00000 -0.12550
|
|
286 15G-1 0.00000 0.00000 -0.00495 0.00000 -0.15009
|
|
287 15G+2 0.07773 0.20805 0.00000 -0.07929 0.00000
|
|
288 15G-2 0.01243 -0.10290 0.00000 0.00282 0.00000
|
|
289 15G+3 0.00000 0.00000 -0.10259 0.00000 0.42740
|
|
290 15G-3 0.00000 0.00000 -0.12827 0.00000 0.32081
|
|
291 15G+4 -0.03129 0.18881 0.00000 -0.05637 0.00000
|
|
292 15G-4 -0.14509 -0.27900 0.00000 0.26935 0.00000
|
|
293 5 H 1S 0.24098 0.11228 0.32145 0.46452 0.32231
|
|
294 2S -0.63823 -0.17541 -0.95132 -1.30796 -1.13099
|
|
295 3S -1.81554 -2.65075 -2.19882 -1.33226 -0.95814
|
|
296 4S 0.66964 -0.09372 0.47803 1.28056 0.84628
|
|
297 5S 0.05665 0.07890 0.03310 0.15345 0.05760
|
|
298 6PX -0.09314 0.05057 0.00020 0.00517 0.02495
|
|
299 6PY 0.05749 -0.08663 -0.11335 0.00337 0.01029
|
|
300 6PZ 0.00355 0.03007 -0.03501 0.03507 -0.08883
|
|
301 7PX 0.06997 0.01018 0.12205 0.12962 0.14172
|
|
302 7PY 0.06761 0.04510 0.11869 0.09106 0.10812
|
|
303 7PZ 0.13746 0.03848 0.17897 0.21999 0.24414
|
|
304 8PX -0.11971 0.61193 0.34569 0.03165 0.55759
|
|
305 8PY 1.06852 0.15295 0.31741 -0.17475 0.18157
|
|
306 8PZ 0.31148 0.64238 0.83062 0.70955 0.05819
|
|
307 9PX -0.20353 -0.02875 0.06992 -0.30417 -0.30006
|
|
308 9PY -0.56813 -0.24546 -0.38416 -0.35610 -0.16176
|
|
309 9PZ -0.22306 -0.05358 -0.16092 -0.76546 -0.44104
|
|
310 10D 0 -0.11071 -0.03797 -0.05474 0.37919 0.17973
|
|
311 10D+1 0.16932 -0.01044 0.02911 0.21315 0.20400
|
|
312 10D-1 0.17444 0.34601 0.46306 0.28682 0.09065
|
|
313 10D+2 -0.13397 -0.12376 -0.42853 0.05483 0.02260
|
|
314 10D-2 0.39749 0.20922 0.04755 0.05033 -0.09599
|
|
315 11D 0 0.14306 -0.04377 -0.00973 -0.60776 0.00259
|
|
316 11D+1 0.02560 -0.19573 -0.11305 -0.29528 -0.32562
|
|
317 11D-1 -0.50293 -0.26485 -0.37974 -0.28758 -0.03958
|
|
318 11D+2 0.40218 0.01016 0.39342 -0.07604 -0.09850
|
|
319 11D-2 -0.53348 -0.21388 0.00456 0.02533 0.02130
|
|
320 12D 0 -0.00629 0.12319 0.05390 0.37636 0.17718
|
|
321 12D+1 0.24195 0.27850 -0.00991 0.39916 0.19520
|
|
322 12D-1 0.27173 0.29061 0.13610 0.40579 0.10790
|
|
323 12D+2 -0.10525 -0.10680 -0.17782 -0.08673 -0.00195
|
|
324 12D-2 0.32324 0.07377 0.01604 0.19679 0.01646
|
|
325 13F 0 -0.09633 0.03809 0.18056 0.10338 -0.14953
|
|
326 13F+1 -0.18893 0.24987 0.01579 0.08063 -0.08637
|
|
327 13F-1 0.12536 -0.08007 -0.22023 -0.01016 -0.18053
|
|
328 13F+2 -0.30162 0.24013 0.16531 -0.04639 0.06970
|
|
329 13F-2 0.11663 -0.06348 -0.14206 -0.14227 -0.02671
|
|
330 13F+3 -0.10578 0.05847 0.14091 -0.01813 -0.00501
|
|
331 13F-3 -0.03436 -0.02440 -0.03907 0.02792 0.04476
|
|
332 14F 0 0.14267 0.00526 -0.20788 -0.08849 0.03599
|
|
333 14F+1 0.03952 -0.26511 0.01752 -0.16428 0.02690
|
|
334 14F-1 -0.14615 -0.05516 0.11151 -0.04802 0.10067
|
|
335 14F+2 0.12098 -0.13648 -0.10831 0.06619 -0.03364
|
|
336 14F-2 -0.15770 -0.02070 0.03290 -0.00123 -0.02348
|
|
337 14F+3 0.08288 -0.02451 -0.06251 0.08441 0.03574
|
|
338 14F-3 0.04610 0.03565 -0.03913 -0.03396 -0.05765
|
|
339 15G 0 -0.20371 -0.08157 0.14713 0.06041 0.07378
|
|
340 15G+1 -0.19814 0.08523 -0.06414 0.18990 -0.04320
|
|
341 15G-1 0.09226 0.02623 0.03069 0.08252 -0.14330
|
|
342 15G+2 -0.07796 0.03142 -0.00675 0.03375 0.07240
|
|
343 15G-2 0.14132 0.12264 -0.06259 0.11182 -0.04146
|
|
344 15G+3 -0.17173 0.00492 -0.06618 -0.08609 -0.01872
|
|
345 15G-3 -0.07272 0.05346 0.04631 -0.03234 0.05960
|
|
346 15G+4 -0.01522 0.01607 -0.09547 -0.00011 -0.02222
|
|
347 15G-4 -0.17778 0.01709 0.01388 -0.05441 0.02366
|
|
348 6 H 1S 0.24098 0.11228 -0.32145 0.46452 -0.32231
|
|
349 2S -0.63823 -0.17541 0.95132 -1.30796 1.13099
|
|
350 3S -1.81554 -2.65075 2.19882 -1.33226 0.95814
|
|
351 4S 0.66964 -0.09372 -0.47803 1.28056 -0.84628
|
|
352 5S 0.05665 0.07890 -0.03310 0.15345 -0.05760
|
|
353 6PX -0.09314 0.05057 -0.00020 0.00517 -0.02495
|
|
354 6PY 0.05749 -0.08663 0.11335 0.00337 -0.01029
|
|
355 6PZ -0.00355 -0.03007 -0.03501 -0.03507 -0.08883
|
|
356 7PX 0.06997 0.01018 -0.12205 0.12962 -0.14172
|
|
357 7PY 0.06761 0.04510 -0.11869 0.09106 -0.10812
|
|
358 7PZ -0.13746 -0.03848 0.17897 -0.21999 0.24414
|
|
359 8PX -0.11971 0.61193 -0.34569 0.03165 -0.55759
|
|
360 8PY 1.06852 0.15295 -0.31741 -0.17475 -0.18157
|
|
361 8PZ -0.31148 -0.64238 0.83062 -0.70955 0.05819
|
|
362 9PX -0.20353 -0.02875 -0.06992 -0.30417 0.30006
|
|
363 9PY -0.56813 -0.24546 0.38416 -0.35610 0.16176
|
|
364 9PZ 0.22306 0.05358 -0.16092 0.76546 -0.44104
|
|
365 10D 0 -0.11071 -0.03797 0.05474 0.37919 -0.17973
|
|
366 10D+1 -0.16932 0.01044 0.02911 -0.21315 0.20400
|
|
367 10D-1 -0.17444 -0.34601 0.46306 -0.28682 0.09065
|
|
368 10D+2 -0.13397 -0.12376 0.42853 0.05483 -0.02260
|
|
369 10D-2 0.39749 0.20922 -0.04755 0.05033 0.09599
|
|
370 11D 0 0.14306 -0.04377 0.00973 -0.60776 -0.00259
|
|
371 11D+1 -0.02560 0.19573 -0.11305 0.29528 -0.32562
|
|
372 11D-1 0.50293 0.26485 -0.37974 0.28758 -0.03958
|
|
373 11D+2 0.40218 0.01016 -0.39342 -0.07604 0.09850
|
|
374 11D-2 -0.53348 -0.21388 -0.00456 0.02533 -0.02130
|
|
375 12D 0 -0.00629 0.12319 -0.05390 0.37636 -0.17718
|
|
376 12D+1 -0.24195 -0.27850 -0.00991 -0.39916 0.19520
|
|
377 12D-1 -0.27173 -0.29061 0.13610 -0.40579 0.10790
|
|
378 12D+2 -0.10525 -0.10680 0.17782 -0.08673 0.00195
|
|
379 12D-2 0.32324 0.07377 -0.01604 0.19679 -0.01646
|
|
380 13F 0 0.09633 -0.03809 0.18056 -0.10338 -0.14953
|
|
381 13F+1 -0.18893 0.24987 -0.01579 0.08063 0.08637
|
|
382 13F-1 0.12536 -0.08007 0.22023 -0.01016 0.18053
|
|
383 13F+2 0.30162 -0.24013 0.16531 0.04639 0.06970
|
|
384 13F-2 -0.11663 0.06348 -0.14206 0.14227 -0.02671
|
|
385 13F+3 -0.10578 0.05847 -0.14091 -0.01813 0.00501
|
|
386 13F-3 -0.03436 -0.02440 0.03907 0.02792 -0.04476
|
|
387 14F 0 -0.14267 -0.00526 -0.20788 0.08849 0.03599
|
|
388 14F+1 0.03952 -0.26511 -0.01752 -0.16428 -0.02690
|
|
389 14F-1 -0.14615 -0.05516 -0.11151 -0.04802 -0.10067
|
|
390 14F+2 -0.12098 0.13648 -0.10831 -0.06619 -0.03364
|
|
391 14F-2 0.15770 0.02070 0.03290 0.00123 -0.02348
|
|
392 14F+3 0.08288 -0.02451 0.06251 0.08441 -0.03574
|
|
393 14F-3 0.04610 0.03565 0.03913 -0.03396 0.05765
|
|
394 15G 0 -0.20371 -0.08157 -0.14713 0.06041 -0.07378
|
|
395 15G+1 0.19814 -0.08523 -0.06414 -0.18990 -0.04320
|
|
396 15G-1 -0.09226 -0.02623 0.03069 -0.08252 -0.14330
|
|
397 15G+2 -0.07796 0.03142 0.00675 0.03375 -0.07240
|
|
398 15G-2 0.14132 0.12264 0.06259 0.11182 0.04146
|
|
399 15G+3 0.17173 -0.00492 -0.06618 0.08609 -0.01872
|
|
400 15G-3 0.07272 -0.05346 0.04631 0.03234 0.05960
|
|
401 15G+4 -0.01522 0.01607 0.09547 -0.00011 0.02222
|
|
402 15G-4 -0.17778 0.01709 -0.01388 -0.05441 -0.02366
|
|
321 322 323 324 325
|
|
V V V V V
|
|
Eigenvalues -- 14.55700 14.61079 14.72247 14.74009 14.76208
|
|
1 1 C 1S -0.00142 0.00844 0.00000 0.00105 0.00000
|
|
2 2S 0.08300 0.00336 0.00000 0.01077 0.00000
|
|
3 3S 0.47236 -0.01223 0.00000 -0.01294 0.00000
|
|
4 4S -0.68458 -0.60654 0.00000 0.87000 0.00000
|
|
5 5S -3.01290 1.07230 0.00000 -3.26306 0.00000
|
|
6 6S -0.62075 0.00851 0.00000 -0.07566 0.00000
|
|
7 7PX 0.13282 0.13871 0.00000 -0.14398 0.00000
|
|
8 7PY 0.07337 -0.12466 0.00000 0.05863 0.00000
|
|
9 7PZ 0.00000 0.00000 0.12082 0.00000 -0.05342
|
|
10 8PX -0.58896 -0.16689 0.00000 0.13639 0.00000
|
|
11 8PY -0.31341 0.36138 0.00000 -0.24985 0.00000
|
|
12 8PZ 0.00000 0.00000 -0.26337 0.00000 -0.37679
|
|
13 9PX 2.41499 0.08211 0.00000 1.55805 0.00000
|
|
14 9PY 0.07311 0.87410 0.00000 0.44259 0.00000
|
|
15 9PZ 0.00000 0.00000 -1.51953 0.00000 0.64115
|
|
16 10PX -0.33257 -0.50733 0.00000 2.49327 0.00000
|
|
17 10PY -1.97145 0.23324 0.00000 -0.89915 0.00000
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277 14F 0 0.00000 0.00000 0.00890 0.00000 0.01725
|
|
278 14F+1 0.06423 0.03337 0.00000 -0.03111 0.00000
|
|
279 14F-1 -0.04886 0.07839 0.00000 -0.02307 0.00000
|
|
280 14F+2 0.00000 0.00000 -0.06224 0.00000 0.06468
|
|
281 14F-2 0.00000 0.00000 -0.00527 0.00000 -0.10912
|
|
282 14F+3 0.20949 -0.09701 0.00000 0.07362 0.00000
|
|
283 14F-3 0.06910 -0.03716 0.00000 0.14633 0.00000
|
|
284 15G 0 0.03787 0.00498 0.00000 0.00732 0.00000
|
|
285 15G+1 0.00000 0.00000 -0.04870 0.00000 0.05856
|
|
286 15G-1 0.00000 0.00000 0.04653 0.00000 -0.08739
|
|
287 15G+2 -0.00015 -0.22088 0.00000 -0.07411 0.00000
|
|
288 15G-2 -0.03922 -0.10846 0.00000 -0.00581 0.00000
|
|
289 15G+3 0.00000 0.00000 0.05590 0.00000 0.09832
|
|
290 15G-3 0.00000 0.00000 0.04108 0.00000 -0.02236
|
|
291 15G+4 -0.31217 0.10564 0.00000 -0.04816 0.00000
|
|
292 15G-4 0.09681 0.00415 0.00000 -0.12087 0.00000
|
|
293 5 H 1S 0.25917 0.20822 -0.05535 0.01563 -0.37601
|
|
294 2S -0.88643 -0.58885 -0.28005 0.16490 1.15627
|
|
295 3S 0.19612 -0.86526 2.79913 -0.77595 -0.22200
|
|
296 4S 1.33009 0.57033 1.48294 -0.42818 -1.24204
|
|
297 5S 0.00988 -0.06890 -0.06390 0.00576 0.09263
|
|
298 6PX -0.05175 -0.00273 0.00799 -0.00475 0.02276
|
|
299 6PY -0.05201 -0.04710 0.01220 -0.03829 0.03533
|
|
300 6PZ 0.00650 -0.00095 -0.02504 0.01900 -0.01134
|
|
301 7PX 0.07820 0.03009 0.04524 -0.04464 -0.11446
|
|
302 7PY 0.06959 0.07577 -0.01328 -0.00285 -0.11790
|
|
303 7PZ 0.16826 0.12698 0.11320 -0.06214 -0.16796
|
|
304 8PX 0.23163 0.16435 -0.34365 0.86682 0.27020
|
|
305 8PY -0.52765 0.25154 0.68093 -0.50096 0.62355
|
|
306 8PZ 0.10556 0.19287 -1.80013 0.50642 -0.32458
|
|
307 9PX -0.54127 -0.17660 -0.21107 -0.11861 0.13168
|
|
308 9PY -0.18948 -0.27748 -0.40765 0.41661 0.37281
|
|
309 9PZ -0.35424 -0.14373 -0.32717 0.06540 0.35080
|
|
310 10D 0 0.01564 -0.06602 -0.54636 0.03700 -0.21484
|
|
311 10D+1 0.24925 0.02122 -0.17791 0.32032 0.05711
|
|
312 10D-1 -0.11040 0.20625 0.25763 -0.24195 0.02555
|
|
313 10D+2 0.15241 -0.05679 -0.24844 0.26648 -0.24211
|
|
314 10D-2 0.36808 0.17988 0.20779 0.16375 -0.05832
|
|
315 11D 0 -0.16013 0.04365 0.98770 -0.13211 0.40270
|
|
316 11D+1 -0.29841 -0.01192 0.25647 -0.50568 -0.11221
|
|
317 11D-1 0.34795 -0.23681 -0.38524 0.36686 -0.16996
|
|
318 11D+2 -0.24283 0.06871 0.41317 -0.51309 0.30821
|
|
319 11D-2 -0.29506 -0.22107 -0.30894 -0.09576 -0.11806
|
|
320 12D 0 0.00161 -0.06844 -0.12138 0.03283 0.16739
|
|
321 12D+1 0.28542 0.00001 0.20709 -0.03956 -0.04993
|
|
322 12D-1 -0.05594 0.08871 0.11481 0.07739 -0.03557
|
|
323 12D+2 0.05929 -0.00521 -0.28341 0.41879 0.13479
|
|
324 12D-2 0.15297 0.17725 -0.13965 -0.16852 0.24174
|
|
325 13F 0 0.10529 -0.01557 -0.23202 0.05401 -0.02719
|
|
326 13F+1 0.05428 -0.10039 0.10004 -0.04163 0.05141
|
|
327 13F-1 -0.16416 -0.11519 -0.00596 0.21011 0.14035
|
|
328 13F+2 0.12600 0.04236 -0.08463 0.18474 0.04274
|
|
329 13F-2 -0.18372 -0.01794 -0.06646 -0.09767 0.25676
|
|
330 13F+3 0.06467 -0.00723 -0.09337 0.15357 -0.11847
|
|
331 13F-3 -0.02275 -0.03348 -0.08571 -0.03297 0.24997
|
|
332 14F 0 0.03516 0.08449 0.18580 -0.01643 -0.12218
|
|
333 14F+1 -0.08004 0.08217 -0.16965 0.09938 -0.05280
|
|
334 14F-1 0.07105 0.09175 0.00640 -0.31272 -0.16949
|
|
335 14F+2 -0.10875 0.01133 0.06665 -0.22541 -0.08845
|
|
336 14F-2 0.11336 0.01741 0.17555 0.07100 -0.26613
|
|
337 14F+3 -0.15129 -0.04363 0.10931 -0.16315 0.04458
|
|
338 14F-3 0.00103 0.02427 0.11161 0.06363 -0.34369
|
|
339 15G 0 -0.05259 -0.12739 -0.30725 -0.04307 -0.06226
|
|
340 15G+1 0.03548 0.01722 -0.11793 -0.09017 0.02395
|
|
341 15G-1 -0.03483 -0.08301 -0.07226 0.19490 0.05715
|
|
342 15G+2 0.04182 -0.20179 -0.05029 0.27888 -0.07696
|
|
343 15G-2 -0.04798 -0.02989 -0.10846 0.08488 0.21795
|
|
344 15G+3 0.20896 0.06762 -0.15062 0.16161 -0.07358
|
|
345 15G-3 0.07421 -0.02089 -0.10713 0.04218 0.21112
|
|
346 15G+4 0.16722 0.05393 -0.11174 0.03628 -0.00978
|
|
347 15G-4 0.18025 0.04496 -0.07946 -0.01888 0.11966
|
|
348 6 H 1S 0.25917 0.20822 0.05535 0.01563 0.37601
|
|
349 2S -0.88643 -0.58885 0.28005 0.16490 -1.15627
|
|
350 3S 0.19612 -0.86526 -2.79913 -0.77595 0.22200
|
|
351 4S 1.33009 0.57033 -1.48294 -0.42818 1.24204
|
|
352 5S 0.00988 -0.06890 0.06390 0.00576 -0.09263
|
|
353 6PX -0.05175 -0.00273 -0.00799 -0.00475 -0.02276
|
|
354 6PY -0.05201 -0.04710 -0.01220 -0.03829 -0.03533
|
|
355 6PZ -0.00650 0.00095 -0.02504 -0.01900 -0.01134
|
|
356 7PX 0.07820 0.03009 -0.04524 -0.04464 0.11446
|
|
357 7PY 0.06959 0.07577 0.01328 -0.00285 0.11790
|
|
358 7PZ -0.16826 -0.12698 0.11320 0.06214 -0.16796
|
|
359 8PX 0.23163 0.16435 0.34365 0.86682 -0.27020
|
|
360 8PY -0.52765 0.25154 -0.68093 -0.50096 -0.62355
|
|
361 8PZ -0.10556 -0.19287 -1.80013 -0.50642 -0.32458
|
|
362 9PX -0.54127 -0.17660 0.21107 -0.11861 -0.13168
|
|
363 9PY -0.18948 -0.27748 0.40765 0.41661 -0.37281
|
|
364 9PZ 0.35424 0.14373 -0.32717 -0.06540 0.35080
|
|
365 10D 0 0.01564 -0.06602 0.54636 0.03700 0.21484
|
|
366 10D+1 -0.24925 -0.02122 -0.17791 -0.32032 0.05711
|
|
367 10D-1 0.11040 -0.20625 0.25763 0.24195 0.02555
|
|
368 10D+2 0.15241 -0.05679 0.24844 0.26648 0.24211
|
|
369 10D-2 0.36808 0.17988 -0.20779 0.16375 0.05832
|
|
370 11D 0 -0.16013 0.04365 -0.98770 -0.13211 -0.40270
|
|
371 11D+1 0.29841 0.01192 0.25647 0.50568 -0.11221
|
|
372 11D-1 -0.34795 0.23681 -0.38524 -0.36686 -0.16996
|
|
373 11D+2 -0.24283 0.06871 -0.41317 -0.51309 -0.30821
|
|
374 11D-2 -0.29506 -0.22107 0.30894 -0.09576 0.11806
|
|
375 12D 0 0.00161 -0.06844 0.12138 0.03283 -0.16739
|
|
376 12D+1 -0.28542 -0.00001 0.20709 0.03956 -0.04993
|
|
377 12D-1 0.05594 -0.08871 0.11481 -0.07739 -0.03557
|
|
378 12D+2 0.05929 -0.00521 0.28341 0.41879 -0.13479
|
|
379 12D-2 0.15297 0.17725 0.13965 -0.16852 -0.24174
|
|
380 13F 0 -0.10529 0.01557 -0.23202 -0.05401 -0.02719
|
|
381 13F+1 0.05428 -0.10039 -0.10004 -0.04163 -0.05141
|
|
382 13F-1 -0.16416 -0.11519 0.00596 0.21011 -0.14035
|
|
383 13F+2 -0.12600 -0.04236 -0.08463 -0.18474 0.04274
|
|
384 13F-2 0.18372 0.01794 -0.06646 0.09767 0.25676
|
|
385 13F+3 0.06467 -0.00723 0.09337 0.15357 0.11847
|
|
386 13F-3 -0.02275 -0.03348 0.08571 -0.03297 -0.24997
|
|
387 14F 0 -0.03516 -0.08449 0.18580 0.01643 -0.12218
|
|
388 14F+1 -0.08004 0.08217 0.16965 0.09938 0.05280
|
|
389 14F-1 0.07105 0.09175 -0.00640 -0.31272 0.16949
|
|
390 14F+2 0.10875 -0.01133 0.06665 0.22541 -0.08845
|
|
391 14F-2 -0.11336 -0.01741 0.17555 -0.07100 -0.26613
|
|
392 14F+3 -0.15129 -0.04363 -0.10931 -0.16315 -0.04458
|
|
393 14F-3 0.00103 0.02427 -0.11161 0.06363 0.34369
|
|
394 15G 0 -0.05259 -0.12739 0.30725 -0.04307 0.06226
|
|
395 15G+1 -0.03548 -0.01722 -0.11793 0.09017 0.02395
|
|
396 15G-1 0.03483 0.08301 -0.07226 -0.19490 0.05715
|
|
397 15G+2 0.04182 -0.20179 0.05029 0.27888 0.07696
|
|
398 15G-2 -0.04798 -0.02989 0.10846 0.08488 -0.21795
|
|
399 15G+3 -0.20896 -0.06762 -0.15062 -0.16161 -0.07358
|
|
400 15G-3 -0.07421 0.02089 -0.10713 -0.04218 0.21112
|
|
401 15G+4 0.16722 0.05393 0.11174 0.03628 0.00978
|
|
402 15G-4 0.18025 0.04496 0.07946 -0.01888 -0.11966
|
|
326 327 328 329 330
|
|
V V V V V
|
|
Eigenvalues -- 14.81370 14.83307 14.86427 14.92412 14.94899
|
|
1 1 C 1S 0.00000 0.01648 0.01797 0.02362 0.00000
|
|
2 2S 0.00000 -0.01569 -0.02755 -0.06384 0.00000
|
|
3 3S 0.00000 0.04128 -0.06233 -0.50555 0.00000
|
|
4 4S 0.00000 -1.83162 -1.99158 0.41541 0.00000
|
|
5 5S 0.00000 3.39104 5.35166 0.92927 0.00000
|
|
6 6S 0.00000 0.02849 0.37736 0.02859 0.00000
|
|
7 7PX 0.00000 0.02221 0.00470 -0.00220 0.00000
|
|
8 7PY 0.00000 -0.24565 -0.02284 0.10011 0.00000
|
|
9 7PZ 0.00354 0.00000 0.00000 0.00000 -0.05456
|
|
10 8PX 0.00000 -0.49009 -0.15971 0.42195 0.00000
|
|
11 8PY 0.00000 0.83591 -0.36412 -0.52569 0.00000
|
|
12 8PZ -0.24129 0.00000 0.00000 0.00000 -0.29845
|
|
13 9PX 0.00000 2.25504 -0.36482 -1.12493 0.00000
|
|
14 9PY 0.00000 -0.09711 2.09138 2.63694 0.00000
|
|
15 9PZ 1.68859 0.00000 0.00000 0.00000 1.15797
|
|
16 10PX 0.00000 2.13991 0.30770 -0.77810 0.00000
|
|
17 10PY 0.00000 0.49060 -0.43761 -0.99306 0.00000
|
|
18 10PZ 0.54821 0.00000 0.00000 0.00000 1.53385
|
|
19 11PX 0.00000 -0.18166 -0.00403 0.16070 0.00000
|
|
20 11PY 0.00000 0.06496 0.05447 -0.02687 0.00000
|
|
21 11PZ 0.03298 0.00000 0.00000 0.00000 -0.15250
|
|
22 12D 0 0.00000 -0.06732 -0.17520 0.02225 0.00000
|
|
23 12D+1 -0.03590 0.00000 0.00000 0.00000 0.03593
|
|
24 12D-1 -0.09709 0.00000 0.00000 0.00000 -0.26061
|
|
25 12D+2 0.00000 -0.07801 -0.02436 -0.12706 0.00000
|
|
26 12D-2 0.00000 -0.12085 -0.15957 0.27295 0.00000
|
|
27 13D 0 0.00000 0.19517 0.35857 -0.34601 0.00000
|
|
28 13D+1 0.12773 0.00000 0.00000 0.00000 0.20759
|
|
29 13D-1 0.11135 0.00000 0.00000 0.00000 0.24186
|
|
30 13D+2 0.00000 0.08036 -0.05768 0.22198 0.00000
|
|
31 13D-2 0.00000 0.13531 0.28694 -0.40325 0.00000
|
|
32 14D 0 0.00000 0.67687 -0.95405 1.22780 0.00000
|
|
33 14D+1 0.34805 0.00000 0.00000 0.00000 -0.17445
|
|
34 14D-1 0.40000 0.00000 0.00000 0.00000 0.50825
|
|
35 14D+2 0.00000 -0.07318 0.57476 0.15392 0.00000
|
|
36 14D-2 0.00000 0.03671 -1.19890 0.93076 0.00000
|
|
37 15D 0 0.00000 0.59012 -0.09396 0.04510 0.00000
|
|
38 15D+1 -0.24222 0.00000 0.00000 0.00000 0.01871
|
|
39 15D-1 0.13988 0.00000 0.00000 0.00000 0.15363
|
|
40 15D+2 0.00000 -0.12326 0.19574 -0.09158 0.00000
|
|
41 15D-2 0.00000 -0.18438 -0.26238 -0.05631 0.00000
|
|
42 16F 0 -0.65948 0.00000 0.00000 0.00000 0.18925
|
|
43 16F+1 0.00000 -0.10933 -0.15537 -0.15646 0.00000
|
|
44 16F-1 0.00000 0.01170 0.19450 -0.20436 0.00000
|
|
45 16F+2 0.56448 0.00000 0.00000 0.00000 -0.07263
|
|
46 16F-2 0.07965 0.00000 0.00000 0.00000 0.03007
|
|
47 16F+3 0.00000 0.01431 0.01615 0.07615 0.00000
|
|
48 16F-3 0.00000 -0.05147 -0.16554 0.18591 0.00000
|
|
49 17F 0 1.72228 0.00000 0.00000 0.00000 -0.49936
|
|
50 17F+1 0.00000 0.47848 0.82604 0.74888 0.00000
|
|
51 17F-1 0.00000 -0.10790 -0.66815 0.53882 0.00000
|
|
52 17F+2 -1.49274 0.00000 0.00000 0.00000 0.16225
|
|
53 17F-2 -0.23721 0.00000 0.00000 0.00000 -0.20000
|
|
54 17F+3 0.00000 -0.16772 -0.06816 -0.26434 0.00000
|
|
55 17F-3 0.00000 -0.01832 0.20135 -0.58699 0.00000
|
|
56 18F 0 1.46091 0.00000 0.00000 0.00000 -0.82957
|
|
57 18F+1 0.00000 0.60543 0.59121 0.61223 0.00000
|
|
58 18F-1 0.00000 0.18349 -0.32931 0.89286 0.00000
|
|
59 18F+2 -1.37292 0.00000 0.00000 0.00000 0.11094
|
|
60 18F-2 -0.31444 0.00000 0.00000 0.00000 -0.49569
|
|
61 18F+3 0.00000 -0.33974 -0.58812 0.15386 0.00000
|
|
62 18F-3 0.00000 0.18516 0.47045 -0.72553 0.00000
|
|
63 19G 0 0.00000 -0.07248 -0.07244 0.15398 0.00000
|
|
64 19G+1 0.01906 0.00000 0.00000 0.00000 0.14734
|
|
65 19G-1 -0.08419 0.00000 0.00000 0.00000 0.08371
|
|
66 19G+2 0.00000 -0.01647 -0.00660 0.07971 0.00000
|
|
67 19G-2 0.00000 0.07681 -0.05633 -0.10998 0.00000
|
|
68 19G+3 -0.03596 0.00000 0.00000 0.00000 -0.11327
|
|
69 19G-3 0.08847 0.00000 0.00000 0.00000 0.04605
|
|
70 19G+4 0.00000 -0.02367 0.10784 0.05344 0.00000
|
|
71 19G-4 0.00000 0.06177 0.03152 -0.03040 0.00000
|
|
72 20G 0 0.00000 0.32038 -0.08179 -0.35147 0.00000
|
|
73 20G+1 -0.08781 0.00000 0.00000 0.00000 -0.18199
|
|
74 20G-1 0.90476 0.00000 0.00000 0.00000 -0.27944
|
|
75 20G+2 0.00000 0.50461 0.04911 -0.45967 0.00000
|
|
76 20G-2 0.00000 -0.15691 0.28290 0.31438 0.00000
|
|
77 20G+3 0.25435 0.00000 0.00000 0.00000 0.44912
|
|
78 20G-3 -0.93522 0.00000 0.00000 0.00000 0.43394
|
|
79 20G+4 0.00000 0.14842 -0.41800 0.34709 0.00000
|
|
80 20G-4 0.00000 0.00937 -0.20853 -0.03505 0.00000
|
|
81 21H 0 0.02488 0.00000 0.00000 0.00000 0.25426
|
|
82 21H+1 0.00000 -0.00339 -0.06157 0.36081 0.00000
|
|
83 21H-1 0.00000 -0.20832 -0.12722 0.26866 0.00000
|
|
84 21H+2 -0.10331 0.00000 0.00000 0.00000 -0.33101
|
|
85 21H-2 -0.01872 0.00000 0.00000 0.00000 0.00843
|
|
86 21H+3 0.00000 0.23393 0.16657 -0.00737 0.00000
|
|
87 21H-3 0.00000 0.05509 -0.02966 -0.08993 0.00000
|
|
88 21H+4 0.11365 0.00000 0.00000 0.00000 0.11041
|
|
89 21H-4 -0.07236 0.00000 0.00000 0.00000 -0.34455
|
|
90 21H+5 0.00000 -0.13884 0.06667 -0.02587 0.00000
|
|
91 21H-5 0.00000 -0.04352 -0.02381 -0.15231 0.00000
|
|
92 2 O 1S 0.00000 -0.02473 0.02587 -0.00628 0.00000
|
|
93 2S 0.00000 0.22132 -0.19718 0.03814 0.00000
|
|
94 3S 0.00000 0.78669 -0.69854 0.11510 0.00000
|
|
95 4S 0.00000 0.07065 0.13818 -0.14781 0.00000
|
|
96 5S 0.00000 -4.58870 2.06066 0.24247 0.00000
|
|
97 6S 0.00000 -1.11662 0.53891 -0.47135 0.00000
|
|
98 7PX 0.00000 0.30107 -0.23292 0.10465 0.00000
|
|
99 7PY 0.00000 -0.13013 -0.09403 -0.05036 0.00000
|
|
100 7PZ -0.03346 0.00000 0.00000 0.00000 0.00628
|
|
101 8PX 0.00000 -0.00935 0.00552 -0.02897 0.00000
|
|
102 8PY 0.00000 0.12247 0.17974 0.01128 0.00000
|
|
103 8PZ 0.04020 0.00000 0.00000 0.00000 -0.00060
|
|
104 9PX 0.00000 -1.10315 0.82254 -0.20514 0.00000
|
|
105 9PY 0.00000 -0.19039 -0.14087 0.04373 0.00000
|
|
106 9PZ 0.01830 0.00000 0.00000 0.00000 0.00809
|
|
107 10PX 0.00000 -3.84389 0.80723 0.30617 0.00000
|
|
108 10PY 0.00000 1.42130 -0.88640 0.97407 0.00000
|
|
109 10PZ -0.35919 0.00000 0.00000 0.00000 -0.35966
|
|
110 11PX 0.00000 -0.29661 0.00493 -0.10167 0.00000
|
|
111 11PY 0.00000 0.04773 0.00782 0.07168 0.00000
|
|
112 11PZ -0.10972 0.00000 0.00000 0.00000 0.05052
|
|
113 12D 0 0.00000 0.05628 -0.03214 0.02225 0.00000
|
|
114 12D+1 -0.00523 0.00000 0.00000 0.00000 -0.00584
|
|
115 12D-1 0.00637 0.00000 0.00000 0.00000 0.00764
|
|
116 12D+2 0.00000 -0.04737 0.04922 -0.01910 0.00000
|
|
117 12D-2 0.00000 0.05381 -0.02293 0.01128 0.00000
|
|
118 13D 0 0.00000 -0.13735 0.13123 0.03599 0.00000
|
|
119 13D+1 -0.03625 0.00000 0.00000 0.00000 -0.04536
|
|
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371 11D+1 -0.77288 0.03558 0.14141 0.55706 0.19175
|
|
372 11D-1 -0.07716 0.19041 0.05578 -0.11374 -0.24059
|
|
373 11D+2 0.55417 0.37628 0.40820 -0.24939 0.09436
|
|
374 11D-2 0.18982 -0.25170 0.14100 0.15275 -0.04374
|
|
375 12D 0 0.13370 0.07584 0.07591 0.15592 -0.11299
|
|
376 12D+1 -0.04414 0.02471 -0.03706 0.15746 -0.03651
|
|
377 12D-1 0.14816 -0.08734 -0.23631 0.07203 -0.09554
|
|
378 12D+2 -0.08466 0.07401 0.17332 0.11400 0.02294
|
|
379 12D-2 0.39209 -0.04497 0.00796 0.32568 -0.28349
|
|
380 13F 0 -0.35821 -0.06452 -0.07595 0.27934 0.06358
|
|
381 13F+1 -0.09476 -0.01409 -0.01264 -0.23590 -0.14599
|
|
382 13F-1 0.02179 0.21319 0.23875 -0.18043 0.05112
|
|
383 13F+2 0.22974 0.13177 0.08219 -0.07223 0.12115
|
|
384 13F-2 0.04061 -0.00756 -0.00538 -0.20438 0.13786
|
|
385 13F+3 -0.17482 -0.01610 -0.00823 -0.08350 0.06363
|
|
386 13F-3 -0.07221 -0.06566 0.06098 0.15971 -0.14953
|
|
387 14F 0 0.15790 0.02771 0.09508 -0.03849 -0.10280
|
|
388 14F+1 0.06743 0.03445 0.10703 0.37383 0.19936
|
|
389 14F-1 0.08009 -0.28357 -0.34937 0.16826 -0.09308
|
|
390 14F+2 -0.10063 0.00293 0.06470 0.06085 -0.03869
|
|
391 14F-2 0.03309 -0.00571 0.05110 0.20707 -0.22173
|
|
392 14F+3 0.15412 -0.08060 -0.06523 0.08923 -0.14844
|
|
393 14F-3 -0.01347 0.01063 -0.22583 -0.26296 0.09674
|
|
394 15G 0 0.22344 -0.05682 0.11176 0.09097 -0.06955
|
|
395 15G+1 -0.06371 0.08224 0.07276 0.17744 0.12274
|
|
396 15G-1 -0.07934 -0.19183 -0.31018 0.03936 0.00597
|
|
397 15G+2 -0.13688 -0.09328 -0.08084 0.05602 -0.08199
|
|
398 15G-2 -0.09066 0.08847 0.06227 -0.05741 -0.18421
|
|
399 15G+3 0.07196 0.00629 0.01546 -0.04651 -0.12171
|
|
400 15G-3 0.17500 -0.03243 -0.19298 -0.17935 -0.01239
|
|
401 15G+4 -0.05578 0.01732 -0.04987 -0.09456 -0.04778
|
|
402 15G-4 -0.01673 0.04311 0.13550 0.12773 0.00645
|
|
331 332 333 334 335
|
|
V V V V V
|
|
Eigenvalues -- 15.05778 15.16856 15.38149 15.44435 15.48805
|
|
1 1 C 1S 0.00750 -0.00557 0.04591 0.00000 0.00000
|
|
2 2S -0.00652 0.07268 -0.33118 0.00000 0.00000
|
|
3 3S 0.45712 0.44744 -1.68189 0.00000 0.00000
|
|
4 4S -4.23600 -1.28001 -1.45475 0.00000 0.00000
|
|
5 5S 6.03392 0.85027 15.46954 0.00000 0.00000
|
|
6 6S -0.49712 -0.21581 1.34427 0.00000 0.00000
|
|
7 7PX 0.04481 0.03477 -0.12496 0.00000 0.00000
|
|
8 7PY -0.18118 -0.13433 0.32700 0.00000 0.00000
|
|
9 7PZ 0.00000 0.00000 0.00000 0.17700 -0.02583
|
|
10 8PX -0.07420 -0.16836 1.37678 0.00000 0.00000
|
|
11 8PY 0.17846 0.36585 -1.90670 0.00000 0.00000
|
|
12 8PZ 0.00000 0.00000 0.00000 -2.42337 -0.18319
|
|
13 9PX 0.57837 0.91745 -8.26078 0.00000 0.00000
|
|
14 9PY -0.10100 -0.12037 5.24637 0.00000 0.00000
|
|
15 9PZ 0.00000 0.00000 0.00000 15.40695 1.05888
|
|
16 10PX 0.08315 -0.18787 -3.15822 0.00000 0.00000
|
|
17 10PY -0.17312 -0.50759 0.94757 0.00000 0.00000
|
|
18 10PZ 0.00000 0.00000 0.00000 6.38437 0.70270
|
|
19 11PX 0.03411 0.01175 -0.11432 0.00000 0.00000
|
|
20 11PY -0.03034 0.04985 -0.07592 0.00000 0.00000
|
|
21 11PZ 0.00000 0.00000 0.00000 0.17021 -0.08307
|
|
22 12D 0 -0.06766 0.03278 0.16811 0.00000 0.00000
|
|
23 12D+1 0.00000 0.00000 0.00000 -0.30570 0.00731
|
|
24 12D-1 0.00000 0.00000 0.00000 -0.03919 0.16374
|
|
25 12D+2 -0.12903 -0.08082 -0.14354 0.00000 0.00000
|
|
26 12D-2 0.13531 0.15453 -0.01038 0.00000 0.00000
|
|
27 13D 0 0.07136 -0.05148 -0.24929 0.00000 0.00000
|
|
28 13D+1 0.00000 0.00000 0.00000 0.16707 -0.06142
|
|
29 13D-1 0.00000 0.00000 0.00000 0.10050 0.00103
|
|
30 13D+2 0.43031 0.08763 -0.09949 0.00000 0.00000
|
|
31 13D-2 -0.15992 -0.07446 -0.08511 0.00000 0.00000
|
|
32 14D 0 0.40690 0.63025 -1.31639 0.00000 0.00000
|
|
33 14D+1 0.00000 0.00000 0.00000 5.98504 0.55220
|
|
34 14D-1 0.00000 0.00000 0.00000 4.50286 -0.62534
|
|
35 14D+2 -0.69169 -0.03865 3.72711 0.00000 0.00000
|
|
36 14D-2 0.26086 0.11828 -1.20528 0.00000 0.00000
|
|
37 15D 0 0.21182 -0.03137 -0.73251 0.00000 0.00000
|
|
38 15D+1 0.00000 0.00000 0.00000 2.02956 0.40201
|
|
39 15D-1 0.00000 0.00000 0.00000 1.08652 -0.47493
|
|
40 15D+2 -0.30571 0.05830 0.93248 0.00000 0.00000
|
|
41 15D-2 0.06046 -0.28728 -0.45395 0.00000 0.00000
|
|
42 16F 0 0.00000 0.00000 0.00000 -0.06896 0.03640
|
|
43 16F+1 0.08834 -0.00069 0.07492 0.00000 0.00000
|
|
44 16F-1 -0.07325 -0.20077 0.18279 0.00000 0.00000
|
|
45 16F+2 0.00000 0.00000 0.00000 -0.10749 0.07366
|
|
46 16F-2 0.00000 0.00000 0.00000 -0.29786 -0.00509
|
|
47 16F+3 -0.07395 0.28987 0.10929 0.00000 0.00000
|
|
48 16F-3 0.03117 0.22017 0.20205 0.00000 0.00000
|
|
49 17F 0 0.00000 0.00000 0.00000 0.30289 -0.39500
|
|
50 17F+1 -0.13761 -0.04474 0.66077 0.00000 0.00000
|
|
51 17F-1 -0.02196 0.32315 -0.16240 0.00000 0.00000
|
|
52 17F+2 0.00000 0.00000 0.00000 0.22770 -0.42143
|
|
53 17F-2 0.00000 0.00000 0.00000 1.19645 0.13406
|
|
54 17F+3 0.22084 -0.70114 -0.59996 0.00000 0.00000
|
|
55 17F-3 -0.40624 -0.74188 0.06652 0.00000 0.00000
|
|
56 18F 0 0.00000 0.00000 0.00000 0.12987 0.17746
|
|
57 18F+1 0.13217 0.35656 0.79849 0.00000 0.00000
|
|
58 18F-1 0.81700 0.37813 0.33526 0.00000 0.00000
|
|
59 18F+2 0.00000 0.00000 0.00000 0.46570 -0.11329
|
|
60 18F-2 0.00000 0.00000 0.00000 1.08411 0.06075
|
|
61 18F+3 0.24898 -0.10711 -0.73039 0.00000 0.00000
|
|
62 18F-3 0.36023 -0.36807 0.50263 0.00000 0.00000
|
|
63 19G 0 -0.07275 0.00287 0.02864 0.00000 0.00000
|
|
64 19G+1 0.00000 0.00000 0.00000 -0.05432 0.00016
|
|
65 19G-1 0.00000 0.00000 0.00000 -0.08731 0.29270
|
|
66 19G+2 -0.17321 0.02530 0.13931 0.00000 0.00000
|
|
67 19G-2 0.10824 0.02952 0.23530 0.00000 0.00000
|
|
68 19G+3 0.00000 0.00000 0.00000 -0.03336 0.07519
|
|
69 19G-3 0.00000 0.00000 0.00000 -0.05310 0.20450
|
|
70 19G+4 -0.15776 -0.17954 0.08356 0.00000 0.00000
|
|
71 19G-4 -0.15651 0.02761 0.04683 0.00000 0.00000
|
|
72 20G 0 -0.13486 0.36430 0.15340 0.00000 0.00000
|
|
73 20G+1 0.00000 0.00000 0.00000 0.79333 -0.08187
|
|
74 20G-1 0.00000 0.00000 0.00000 0.14830 0.28062
|
|
75 20G+2 0.18198 -0.15412 -0.81906 0.00000 0.00000
|
|
76 20G-2 -0.58053 0.14007 -0.13981 0.00000 0.00000
|
|
77 20G+3 0.00000 0.00000 0.00000 -0.00849 0.28251
|
|
78 20G-3 0.00000 0.00000 0.00000 0.34681 0.08458
|
|
79 20G+4 -0.00035 -0.06938 -0.30023 0.00000 0.00000
|
|
80 20G-4 0.17385 0.61512 0.04433 0.00000 0.00000
|
|
81 21H 0 0.00000 0.00000 0.00000 0.07318 0.07364
|
|
82 21H+1 0.10685 0.08615 -0.20430 0.00000 0.00000
|
|
83 21H-1 -0.05655 -0.07403 -0.10846 0.00000 0.00000
|
|
84 21H+2 0.00000 0.00000 0.00000 0.41827 0.24372
|
|
85 21H-2 0.00000 0.00000 0.00000 -0.26007 0.01219
|
|
86 21H+3 -0.17501 0.16302 -0.03151 0.00000 0.00000
|
|
87 21H-3 -0.24363 0.01964 0.10945 0.00000 0.00000
|
|
88 21H+4 0.00000 0.00000 0.00000 0.11743 0.26300
|
|
89 21H-4 0.00000 0.00000 0.00000 -0.06517 0.08544
|
|
90 21H+5 0.20650 0.27871 -0.07884 0.00000 0.00000
|
|
91 21H-5 -0.21596 0.11781 -0.20830 0.00000 0.00000
|
|
92 2 O 1S 0.00040 0.01287 0.00934 0.00000 0.00000
|
|
93 2S 0.01777 -0.07561 -0.11576 0.00000 0.00000
|
|
94 3S 0.03430 -0.24123 -0.51312 0.00000 0.00000
|
|
95 4S 0.37531 -0.43495 0.48945 0.00000 0.00000
|
|
96 5S -2.36589 3.28750 0.76516 0.00000 0.00000
|
|
97 6S -0.68480 1.44026 0.23435 0.00000 0.00000
|
|
98 7PX 0.06925 -0.06618 0.01144 0.00000 0.00000
|
|
99 7PY -0.10509 -0.00472 -0.04136 0.00000 0.00000
|
|
100 7PZ 0.00000 0.00000 0.00000 0.07659 0.38389
|
|
101 8PX 0.00809 -0.00140 0.01340 0.00000 0.00000
|
|
102 8PY 0.19351 0.01829 -0.06403 0.00000 0.00000
|
|
103 8PZ 0.00000 0.00000 0.00000 -0.06454 -0.50110
|
|
104 9PX -0.28116 0.57451 -0.24123 0.00000 0.00000
|
|
105 9PY -0.62400 -0.16349 0.75606 0.00000 0.00000
|
|
106 9PZ 0.00000 0.00000 0.00000 -0.00298 0.38206
|
|
107 10PX -0.41973 1.64870 0.95782 0.00000 0.00000
|
|
108 10PY -0.44186 -1.30686 -0.77654 0.00000 0.00000
|
|
109 10PZ 0.00000 0.00000 0.00000 -0.43233 -0.99399
|
|
110 11PX -0.16768 0.08693 0.20070 0.00000 0.00000
|
|
111 11PY 0.06848 -0.00954 -0.01176 0.00000 0.00000
|
|
112 11PZ 0.00000 0.00000 0.00000 -0.03638 -0.03358
|
|
113 12D 0 0.01774 -0.02612 -0.01238 0.00000 0.00000
|
|
114 12D+1 0.00000 0.00000 0.00000 -0.01134 -0.02521
|
|
115 12D-1 0.00000 0.00000 0.00000 0.01240 0.02155
|
|
116 12D+2 -0.00141 0.04085 -0.01782 0.00000 0.00000
|
|
117 12D-2 0.00318 -0.00778 -0.00909 0.00000 0.00000
|
|
118 13D 0 -0.01216 0.02877 -0.00295 0.00000 0.00000
|
|
119 13D+1 0.00000 0.00000 0.00000 -0.02875 -0.06953
|
|
120 13D-1 0.00000 0.00000 0.00000 0.06573 0.16075
|
|
121 13D+2 0.14088 0.01116 0.01563 0.00000 0.00000
|
|
122 13D-2 -0.05555 0.30958 -0.04855 0.00000 0.00000
|
|
123 14D 0 0.19612 -0.24240 -0.27185 0.00000 0.00000
|
|
124 14D+1 0.00000 0.00000 0.00000 -0.05652 0.11408
|
|
125 14D-1 0.00000 0.00000 0.00000 -0.13263 -0.37108
|
|
126 14D+2 -0.25274 0.07238 -0.54651 0.00000 0.00000
|
|
127 14D-2 -0.00327 -1.31265 -0.14068 0.00000 0.00000
|
|
128 15D 0 0.01502 -0.12185 -0.03938 0.00000 0.00000
|
|
129 15D+1 0.00000 0.00000 0.00000 -0.04392 0.06259
|
|
130 15D-1 0.00000 0.00000 0.00000 -0.29568 -0.65468
|
|
131 15D+2 -0.33392 0.27756 0.19110 0.00000 0.00000
|
|
132 15D-2 -0.16542 -0.89320 0.11098 0.00000 0.00000
|
|
133 16F 0 0.00000 0.00000 0.00000 -0.00532 0.05388
|
|
134 16F+1 -0.01219 0.03080 0.00642 0.00000 0.00000
|
|
135 16F-1 -0.04377 0.00840 0.02584 0.00000 0.00000
|
|
136 16F+2 0.00000 0.00000 0.00000 0.01556 0.11761
|
|
137 16F-2 0.00000 0.00000 0.00000 0.03027 0.00586
|
|
138 16F+3 -0.01110 0.07941 0.01410 0.00000 0.00000
|
|
139 16F-3 -0.02880 -0.04910 0.06969 0.00000 0.00000
|
|
140 17F 0 0.00000 0.00000 0.00000 0.07946 0.07780
|
|
141 17F+1 0.06963 0.08293 0.01042 0.00000 0.00000
|
|
142 17F-1 0.03418 -0.05216 -0.04439 0.00000 0.00000
|
|
143 17F+2 0.00000 0.00000 0.00000 -0.05007 0.00368
|
|
144 17F-2 0.00000 0.00000 0.00000 0.07428 0.08249
|
|
145 17F+3 -0.03158 0.18559 -0.07605 0.00000 0.00000
|
|
146 17F-3 -0.00446 -0.16233 -0.07179 0.00000 0.00000
|
|
147 18F 0 0.00000 0.00000 0.00000 0.13249 0.35121
|
|
148 18F+1 -0.03617 0.03227 -0.23866 0.00000 0.00000
|
|
149 18F-1 -0.13406 0.24426 0.16685 0.00000 0.00000
|
|
150 18F+2 0.00000 0.00000 0.00000 0.18582 0.61311
|
|
151 18F-2 0.00000 0.00000 0.00000 0.06520 0.10270
|
|
152 18F+3 -0.08717 0.33107 -0.26453 0.00000 0.00000
|
|
153 18F-3 -0.47466 -0.83472 -0.03791 0.00000 0.00000
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|
154 19G 0 0.06309 -0.05262 -0.03531 0.00000 0.00000
|
|
155 19G+1 0.00000 0.00000 0.00000 -0.05057 -0.03665
|
|
156 19G-1 0.00000 0.00000 0.00000 0.01533 0.09000
|
|
157 19G+2 0.02069 0.00418 -0.04621 0.00000 0.00000
|
|
158 19G-2 -0.03801 0.01567 -0.03847 0.00000 0.00000
|
|
159 19G+3 0.00000 0.00000 0.00000 0.01155 -0.02071
|
|
160 19G-3 0.00000 0.00000 0.00000 0.01466 0.01793
|
|
161 19G+4 0.03268 0.01310 -0.01680 0.00000 0.00000
|
|
162 19G-4 0.00183 0.06615 -0.02931 0.00000 0.00000
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163 20G 0 0.02566 -0.14785 -0.00655 0.00000 0.00000
|
|
164 20G+1 0.00000 0.00000 0.00000 -0.04884 0.04214
|
|
165 20G-1 0.00000 0.00000 0.00000 0.09761 0.19188
|
|
166 20G+2 0.08000 0.06655 -0.06648 0.00000 0.00000
|
|
167 20G-2 -0.09587 0.09911 -0.02387 0.00000 0.00000
|
|
168 20G+3 0.00000 0.00000 0.00000 -0.12886 0.08134
|
|
169 20G-3 0.00000 0.00000 0.00000 0.19320 0.29337
|
|
170 20G+4 0.10582 0.25394 -0.11421 0.00000 0.00000
|
|
171 20G-4 -0.12591 -0.00528 0.10509 0.00000 0.00000
|
|
172 21H 0 0.00000 0.00000 0.00000 0.14652 -0.57478
|
|
173 21H+1 0.20569 -0.30655 0.13637 0.00000 0.00000
|
|
174 21H-1 0.36614 -0.25947 -0.36684 0.00000 0.00000
|
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175 21H+2 0.00000 0.00000 0.00000 -0.22136 -0.49047
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176 21H-2 0.00000 0.00000 0.00000 -0.18756 -0.25037
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177 21H+3 0.14898 -0.14550 0.17717 0.00000 0.00000
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178 21H-3 0.06813 0.08651 -0.21811 0.00000 0.00000
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179 21H+4 0.00000 0.00000 0.00000 -0.26400 -0.19263
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180 21H-4 0.00000 0.00000 0.00000 0.25088 -0.19878
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181 21H+5 -0.08531 -0.10395 0.04915 0.00000 0.00000
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|
182 21H-5 0.00206 0.27608 -0.11851 0.00000 0.00000
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183 3 H 1S -0.46522 -0.20465 0.10791 0.00000 0.00000
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184 2S 1.58833 0.48828 0.81689 0.00000 0.00000
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185 3S -1.36153 0.21514 -12.41888 0.00000 0.00000
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186 4S 0.24059 -0.21585 -4.49384 0.00000 0.00000
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187 5S 0.01552 0.04438 0.02441 0.00000 0.00000
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188 6PX 0.00808 0.01543 -0.04022 0.00000 0.00000
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189 6PY -0.15270 -0.13983 0.05716 0.00000 0.00000
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190 6PZ 0.00000 0.00000 0.00000 0.16636 0.04696
|
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191 7PX 0.28390 -0.01017 0.33049 0.00000 0.00000
|
|
192 7PY -0.04883 -0.01532 -0.12388 0.00000 0.00000
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193 7PZ 0.00000 0.00000 0.00000 -0.02867 -0.01191
|
|
194 8PX -0.23192 0.59747 -5.48618 0.00000 0.00000
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|
195 8PY 0.00043 0.61964 2.07060 0.00000 0.00000
|
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196 8PZ 0.00000 0.00000 0.00000 -0.42252 0.32109
|
|
197 9PX -0.07578 -0.05748 -1.92349 0.00000 0.00000
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198 9PY 0.00560 -0.04331 0.74677 0.00000 0.00000
|
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199 9PZ 0.00000 0.00000 0.00000 0.04982 0.29545
|
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200 10D 0 0.03940 -0.24115 -0.38755 0.00000 0.00000
|
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201 10D+1 0.00000 0.00000 0.00000 0.45055 0.11588
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202 10D-1 0.00000 0.00000 0.00000 -0.05581 0.04185
|
|
203 10D+2 -0.30600 -0.50461 0.12180 0.00000 0.00000
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204 10D-2 -0.24425 -0.40313 -0.05050 0.00000 0.00000
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205 11D 0 -0.01542 0.28978 0.91209 0.00000 0.00000
|
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206 11D+1 0.00000 0.00000 0.00000 -0.44847 -0.01595
|
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207 11D-1 0.00000 0.00000 0.00000 0.04942 -0.07437
|
|
208 11D+2 0.19616 0.66967 -0.50081 0.00000 0.00000
|
|
209 11D-2 0.09467 0.48521 0.50384 0.00000 0.00000
|
|
210 12D 0 -0.25738 0.08150 0.19653 0.00000 0.00000
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|
211 12D+1 0.00000 0.00000 0.00000 -0.12149 0.17994
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212 12D-1 0.00000 0.00000 0.00000 0.03614 -0.01608
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213 12D+2 0.21522 0.16169 -0.16285 0.00000 0.00000
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214 12D-2 -0.09554 -0.14317 0.22042 0.00000 0.00000
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215 13F 0 0.00000 0.00000 0.00000 -0.12860 -0.01635
|
|
216 13F+1 0.26293 -0.03036 0.25763 0.00000 0.00000
|
|
217 13F-1 0.07354 0.02190 -0.07149 0.00000 0.00000
|
|
218 13F+2 0.00000 0.00000 0.00000 0.11981 0.06356
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|
219 13F-2 0.00000 0.00000 0.00000 -0.02086 0.00848
|
|
220 13F+3 -0.34559 -0.12908 -0.06052 0.00000 0.00000
|
|
221 13F-3 -0.01815 -0.00658 0.22614 0.00000 0.00000
|
|
222 14F 0 0.00000 0.00000 0.00000 0.13284 -0.00845
|
|
223 14F+1 -0.37144 0.13262 -0.12594 0.00000 0.00000
|
|
224 14F-1 -0.07456 -0.12893 -0.11055 0.00000 0.00000
|
|
225 14F+2 0.00000 0.00000 0.00000 -0.13150 -0.03369
|
|
226 14F-2 0.00000 0.00000 0.00000 0.02193 -0.01641
|
|
227 14F+3 0.37992 0.24977 0.31452 0.00000 0.00000
|
|
228 14F-3 -0.17509 -0.13178 -0.43198 0.00000 0.00000
|
|
229 15G 0 0.09265 -0.04917 -0.02190 0.00000 0.00000
|
|
230 15G+1 0.00000 0.00000 0.00000 -0.01986 0.03111
|
|
231 15G-1 0.00000 0.00000 0.00000 0.01770 0.01732
|
|
232 15G+2 -0.14542 -0.00188 -0.16148 0.00000 0.00000
|
|
233 15G-2 0.02123 -0.10621 -0.07029 0.00000 0.00000
|
|
234 15G+3 0.00000 0.00000 0.00000 -0.00003 -0.00890
|
|
235 15G-3 0.00000 0.00000 0.00000 0.03653 0.02987
|
|
236 15G+4 0.10165 -0.12908 0.17563 0.00000 0.00000
|
|
237 15G-4 -0.26363 -0.24444 -0.53588 0.00000 0.00000
|
|
238 4 H 1S 0.03457 0.40920 -0.09516 0.00000 0.00000
|
|
239 2S -0.30789 -0.69827 0.33188 0.00000 0.00000
|
|
240 3S 0.97354 -2.82388 -1.05699 0.00000 0.00000
|
|
241 4S 0.57852 -1.95063 -0.57149 0.00000 0.00000
|
|
242 5S 0.03793 0.19908 -0.03517 0.00000 0.00000
|
|
243 6PX -0.02577 0.33776 -0.08260 0.00000 0.00000
|
|
244 6PY -0.07773 -0.20078 0.02651 0.00000 0.00000
|
|
245 6PZ 0.00000 0.00000 0.00000 0.02088 0.04934
|
|
246 7PX 0.08163 -0.33280 -0.00329 0.00000 0.00000
|
|
247 7PY -0.00305 0.06543 -0.00677 0.00000 0.00000
|
|
248 7PZ 0.00000 0.00000 0.00000 0.00445 -0.00645
|
|
249 8PX -0.40545 2.02839 0.35311 0.00000 0.00000
|
|
250 8PY 0.59954 0.21859 0.18223 0.00000 0.00000
|
|
251 8PZ 0.00000 0.00000 0.00000 0.18008 -0.05865
|
|
252 9PX -0.22745 0.88824 0.20019 0.00000 0.00000
|
|
253 9PY 0.27496 -0.39020 -0.16802 0.00000 0.00000
|
|
254 9PZ 0.00000 0.00000 0.00000 -0.12431 -0.07722
|
|
255 10D 0 0.12647 0.32075 -0.12892 0.00000 0.00000
|
|
256 10D+1 0.00000 0.00000 0.00000 -0.04279 -0.04643
|
|
257 10D-1 0.00000 0.00000 0.00000 -0.04634 0.08001
|
|
258 10D+2 0.13792 0.35868 0.07581 0.00000 0.00000
|
|
259 10D-2 0.11187 0.28284 0.09934 0.00000 0.00000
|
|
260 11D 0 -0.20368 -0.29123 0.19750 0.00000 0.00000
|
|
261 11D+1 0.00000 0.00000 0.00000 -0.07538 -0.02115
|
|
262 11D-1 0.00000 0.00000 0.00000 0.11100 -0.14147
|
|
263 11D+2 -0.17150 -0.75639 -0.13229 0.00000 0.00000
|
|
264 11D-2 -0.23130 -0.29034 -0.20714 0.00000 0.00000
|
|
265 12D 0 -0.09111 0.20130 0.05361 0.00000 0.00000
|
|
266 12D+1 0.00000 0.00000 0.00000 -0.06520 0.03063
|
|
267 12D-1 0.00000 0.00000 0.00000 -0.08196 -0.09407
|
|
268 12D+2 -0.06583 -0.32127 0.06178 0.00000 0.00000
|
|
269 12D-2 -0.19091 0.16264 -0.19805 0.00000 0.00000
|
|
270 13F 0 0.00000 0.00000 0.00000 0.00140 -0.05806
|
|
271 13F+1 0.00253 -0.02792 -0.03509 0.00000 0.00000
|
|
272 13F-1 0.01270 -0.06796 0.03494 0.00000 0.00000
|
|
273 13F+2 0.00000 0.00000 0.00000 0.07834 0.07681
|
|
274 13F-2 0.00000 0.00000 0.00000 -0.03987 0.00795
|
|
275 13F+3 -0.00531 0.04007 -0.00447 0.00000 0.00000
|
|
276 13F-3 0.04558 -0.04732 -0.05123 0.00000 0.00000
|
|
277 14F 0 0.00000 0.00000 0.00000 0.02487 -0.03740
|
|
278 14F+1 0.07164 0.13757 -0.08231 0.00000 0.00000
|
|
279 14F-1 -0.03015 -0.06866 -0.06031 0.00000 0.00000
|
|
280 14F+2 0.00000 0.00000 0.00000 0.06776 0.01595
|
|
281 14F-2 0.00000 0.00000 0.00000 -0.05438 0.13974
|
|
282 14F+3 0.18480 0.21823 0.04710 0.00000 0.00000
|
|
283 14F-3 -0.06677 -0.07791 0.25389 0.00000 0.00000
|
|
284 15G 0 0.02779 0.24022 -0.09111 0.00000 0.00000
|
|
285 15G+1 0.00000 0.00000 0.00000 -0.12081 0.23171
|
|
286 15G-1 0.00000 0.00000 0.00000 0.10658 0.05651
|
|
287 15G+2 -0.03785 -0.06845 0.06168 0.00000 0.00000
|
|
288 15G-2 -0.04713 0.17969 0.07549 0.00000 0.00000
|
|
289 15G+3 0.00000 0.00000 0.00000 -0.16503 -0.05377
|
|
290 15G-3 0.00000 0.00000 0.00000 0.24358 -0.12516
|
|
291 15G+4 -0.12786 0.02512 -0.04311 0.00000 0.00000
|
|
292 15G-4 0.20045 0.18472 -0.12574 0.00000 0.00000
|
|
293 5 H 1S -0.28542 0.06355 0.01091 0.23421 0.05161
|
|
294 2S 0.94989 -0.14104 0.29196 0.34708 -0.02253
|
|
295 3S -2.37463 -0.77642 -2.17606 -12.14108 -0.53667
|
|
296 4S 0.21302 0.64841 -0.21389 -4.81399 -0.41203
|
|
297 5S -0.01351 -0.07244 0.00790 0.06326 0.10719
|
|
298 6PX 0.03364 -0.02279 -0.03955 -0.12999 0.00681
|
|
299 6PY -0.11295 0.03778 0.03391 0.01983 0.17258
|
|
300 6PZ -0.05829 -0.02368 0.18911 0.00720 -0.01139
|
|
301 7PX -0.07096 -0.00425 -0.04902 -0.08243 -0.02595
|
|
302 7PY -0.00344 0.00790 -0.04027 -0.10643 -0.08453
|
|
303 7PZ -0.09492 0.01344 -0.12119 -0.23222 -0.01878
|
|
304 8PX 0.40292 0.43565 0.74519 2.52257 0.11574
|
|
305 8PY 0.20153 0.12773 -0.20444 2.84954 0.23961
|
|
306 8PZ 0.33712 0.02728 0.59978 4.86158 0.21061
|
|
307 9PX 0.05489 -0.06813 0.02971 0.82570 -0.05432
|
|
308 9PY 0.03752 -0.02220 0.06095 1.09226 0.25862
|
|
309 9PZ -0.10215 -0.26645 0.09406 1.70544 0.09235
|
|
310 10D 0 -0.05242 0.06924 -0.28585 0.11867 0.10086
|
|
311 10D+1 -0.05026 0.13193 0.03536 0.56160 0.02525
|
|
312 10D-1 0.10945 -0.12615 -0.24408 0.21668 -0.11169
|
|
313 10D+2 -0.22755 0.13148 0.24945 0.01187 0.20548
|
|
314 10D-2 -0.07684 0.10111 0.09563 0.25091 -0.19809
|
|
315 11D 0 0.10181 0.01227 0.06883 -0.41633 -0.07693
|
|
316 11D+1 -0.11084 -0.16464 -0.21106 -0.91267 -0.03128
|
|
317 11D-1 -0.01710 0.13072 0.26249 -0.68724 -0.02796
|
|
318 11D+2 0.19141 -0.16095 -0.37098 0.18111 -0.19332
|
|
319 11D-2 0.07591 -0.18187 -0.13382 -0.51949 0.20878
|
|
320 12D 0 0.22472 0.08922 0.16175 -0.18319 -0.05731
|
|
321 12D+1 0.27557 -0.02107 0.13071 -0.44265 0.03800
|
|
322 12D-1 0.02126 0.00787 0.15145 -0.49255 -0.04540
|
|
323 12D+2 -0.08161 -0.02109 -0.11571 0.11461 0.02260
|
|
324 12D-2 0.14590 0.05618 0.10664 -0.21348 -0.06285
|
|
325 13F 0 0.00446 -0.06302 0.15530 0.10250 -0.10939
|
|
326 13F+1 0.26301 -0.04907 0.20596 0.01554 -0.01748
|
|
327 13F-1 -0.07303 -0.01966 0.17721 0.04630 0.06656
|
|
328 13F+2 0.17756 -0.07307 -0.04557 -0.14819 -0.06659
|
|
329 13F-2 0.08261 0.00517 0.07298 0.05549 0.06654
|
|
330 13F+3 -0.01293 -0.00626 -0.05020 -0.07435 -0.03820
|
|
331 13F-3 0.06437 -0.02188 0.03255 -0.04409 -0.02677
|
|
332 14F 0 -0.10605 0.05147 -0.09459 -0.17764 0.08849
|
|
333 14F+1 -0.27624 0.05050 -0.28925 0.03742 0.01250
|
|
334 14F-1 -0.10182 -0.01252 -0.21058 -0.18826 0.05743
|
|
335 14F+2 -0.18052 0.11650 0.10827 0.00521 0.08803
|
|
336 14F-2 -0.18762 -0.02003 -0.05729 -0.05449 -0.11756
|
|
337 14F+3 0.05942 -0.04720 0.08579 -0.07340 0.11516
|
|
338 14F-3 -0.21318 0.04901 -0.03763 -0.05530 0.04771
|
|
339 15G 0 0.00481 -0.02289 -0.04874 -0.04656 0.06207
|
|
340 15G+1 0.00411 -0.05848 0.13658 0.02108 0.00459
|
|
341 15G-1 0.17999 -0.06059 0.03636 0.29586 -0.13423
|
|
342 15G+2 0.01707 -0.03353 0.07827 -0.05442 0.01321
|
|
343 15G-2 0.10986 0.05395 -0.01122 0.28332 0.02169
|
|
344 15G+3 -0.00107 0.05556 0.02229 0.04475 -0.10993
|
|
345 15G-3 0.21558 -0.00169 0.04791 0.15804 -0.03061
|
|
346 15G+4 -0.14680 0.06638 0.01339 -0.01961 0.00791
|
|
347 15G-4 0.10332 0.04757 0.04304 0.06714 -0.09620
|
|
348 6 H 1S -0.28542 0.06355 0.01091 -0.23421 -0.05161
|
|
349 2S 0.94989 -0.14104 0.29196 -0.34708 0.02253
|
|
350 3S -2.37463 -0.77642 -2.17606 12.14108 0.53667
|
|
351 4S 0.21302 0.64841 -0.21389 4.81399 0.41203
|
|
352 5S -0.01351 -0.07244 0.00790 -0.06326 -0.10719
|
|
353 6PX 0.03364 -0.02279 -0.03955 0.12999 -0.00681
|
|
354 6PY -0.11295 0.03778 0.03391 -0.01983 -0.17258
|
|
355 6PZ 0.05829 0.02368 -0.18911 0.00720 -0.01139
|
|
356 7PX -0.07096 -0.00425 -0.04902 0.08243 0.02595
|
|
357 7PY -0.00344 0.00790 -0.04027 0.10643 0.08453
|
|
358 7PZ 0.09492 -0.01344 0.12119 -0.23222 -0.01878
|
|
359 8PX 0.40292 0.43565 0.74519 -2.52257 -0.11574
|
|
360 8PY 0.20153 0.12773 -0.20444 -2.84954 -0.23961
|
|
361 8PZ -0.33712 -0.02728 -0.59978 4.86158 0.21061
|
|
362 9PX 0.05489 -0.06813 0.02971 -0.82570 0.05432
|
|
363 9PY 0.03752 -0.02220 0.06095 -1.09226 -0.25862
|
|
364 9PZ 0.10215 0.26645 -0.09406 1.70544 0.09235
|
|
365 10D 0 -0.05242 0.06924 -0.28585 -0.11867 -0.10086
|
|
366 10D+1 0.05026 -0.13193 -0.03536 0.56160 0.02525
|
|
367 10D-1 -0.10945 0.12615 0.24408 0.21668 -0.11169
|
|
368 10D+2 -0.22755 0.13148 0.24945 -0.01187 -0.20548
|
|
369 10D-2 -0.07684 0.10111 0.09563 -0.25091 0.19809
|
|
370 11D 0 0.10181 0.01227 0.06883 0.41633 0.07693
|
|
371 11D+1 0.11084 0.16464 0.21106 -0.91267 -0.03128
|
|
372 11D-1 0.01710 -0.13072 -0.26249 -0.68724 -0.02796
|
|
373 11D+2 0.19141 -0.16095 -0.37098 -0.18111 0.19332
|
|
374 11D-2 0.07591 -0.18187 -0.13382 0.51949 -0.20878
|
|
375 12D 0 0.22472 0.08922 0.16175 0.18319 0.05731
|
|
376 12D+1 -0.27557 0.02107 -0.13071 -0.44265 0.03800
|
|
377 12D-1 -0.02126 -0.00787 -0.15145 -0.49255 -0.04540
|
|
378 12D+2 -0.08161 -0.02109 -0.11571 -0.11461 -0.02260
|
|
379 12D-2 0.14590 0.05618 0.10664 0.21348 0.06285
|
|
380 13F 0 -0.00446 0.06302 -0.15530 0.10250 -0.10939
|
|
381 13F+1 0.26301 -0.04907 0.20596 -0.01554 0.01748
|
|
382 13F-1 -0.07303 -0.01966 0.17721 -0.04630 -0.06656
|
|
383 13F+2 -0.17756 0.07307 0.04557 -0.14819 -0.06659
|
|
384 13F-2 -0.08261 -0.00517 -0.07298 0.05549 0.06654
|
|
385 13F+3 -0.01293 -0.00626 -0.05020 0.07435 0.03820
|
|
386 13F-3 0.06437 -0.02188 0.03255 0.04409 0.02677
|
|
387 14F 0 0.10605 -0.05147 0.09459 -0.17764 0.08849
|
|
388 14F+1 -0.27624 0.05050 -0.28925 -0.03742 -0.01250
|
|
389 14F-1 -0.10182 -0.01252 -0.21058 0.18826 -0.05743
|
|
390 14F+2 0.18052 -0.11650 -0.10827 0.00521 0.08803
|
|
391 14F-2 0.18762 0.02003 0.05729 -0.05449 -0.11756
|
|
392 14F+3 0.05942 -0.04720 0.08579 0.07340 -0.11516
|
|
393 14F-3 -0.21318 0.04901 -0.03763 0.05530 -0.04771
|
|
394 15G 0 0.00481 -0.02289 -0.04874 0.04656 -0.06207
|
|
395 15G+1 -0.00411 0.05848 -0.13658 0.02108 0.00459
|
|
396 15G-1 -0.17999 0.06059 -0.03636 0.29586 -0.13423
|
|
397 15G+2 0.01707 -0.03353 0.07827 0.05442 -0.01321
|
|
398 15G-2 0.10986 0.05395 -0.01122 -0.28332 -0.02169
|
|
399 15G+3 0.00107 -0.05556 -0.02229 0.04475 -0.10993
|
|
400 15G-3 -0.21558 0.00169 -0.04791 0.15804 -0.03061
|
|
401 15G+4 -0.14680 0.06638 0.01339 0.01961 -0.00791
|
|
402 15G-4 0.10332 0.04757 0.04304 -0.06714 0.09620
|
|
336 337 338 339 340
|
|
V V V V V
|
|
Eigenvalues -- 15.56312 15.72695 15.74178 15.77655 15.89052
|
|
1 1 C 1S 0.03233 0.00000 -0.00423 -0.01580 0.00000
|
|
2 2S -0.22469 0.00000 -0.16287 0.16099 0.00000
|
|
3 3S -1.09597 0.00000 -1.39414 0.93145 0.00000
|
|
4 4S -1.81083 0.00000 4.51332 0.21844 0.00000
|
|
5 5S 12.59165 0.00000 0.41453 -8.77405 0.00000
|
|
6 6S 0.77254 0.00000 0.97071 -1.21427 0.00000
|
|
7 7PX 0.17616 0.00000 0.01446 0.01556 0.00000
|
|
8 7PY 0.20210 0.00000 -0.10531 -0.01285 0.00000
|
|
9 7PZ 0.00000 0.09420 0.00000 0.00000 -0.09545
|
|
10 8PX -2.50027 0.00000 -0.41691 -1.07545 0.00000
|
|
11 8PY -1.51271 0.00000 0.39103 0.42494 0.00000
|
|
12 8PZ 0.00000 -2.01901 0.00000 0.00000 0.30554
|
|
13 9PX 17.49603 0.00000 3.46645 10.05431 0.00000
|
|
14 9PY 5.63636 0.00000 0.70087 -2.12355 0.00000
|
|
15 9PZ 0.00000 16.06457 0.00000 0.00000 0.14406
|
|
16 10PX 6.84135 0.00000 0.97566 3.17899 0.00000
|
|
17 10PY 1.83451 0.00000 0.45944 -0.40053 0.00000
|
|
18 10PZ 0.00000 5.48261 0.00000 0.00000 -0.56667
|
|
19 11PX 0.20900 0.00000 0.06515 -0.07223 0.00000
|
|
20 11PY 0.09236 0.00000 -0.10274 0.00725 0.00000
|
|
21 11PZ 0.00000 0.08078 0.00000 0.00000 -0.26730
|
|
22 12D 0 -0.32004 0.00000 0.00424 0.06566 0.00000
|
|
23 12D+1 0.00000 -0.12227 0.00000 0.00000 0.06096
|
|
24 12D-1 0.00000 -0.21981 0.00000 0.00000 0.15450
|
|
25 12D+2 0.06805 0.00000 0.08627 0.14147 0.00000
|
|
26 12D-2 -0.17502 0.00000 0.00030 -0.07371 0.00000
|
|
27 13D 0 0.22739 0.00000 0.15921 0.05443 0.00000
|
|
28 13D+1 0.00000 0.24485 0.00000 0.00000 0.09322
|
|
29 13D-1 0.00000 0.27176 0.00000 0.00000 -0.14188
|
|
30 13D+2 -0.23217 0.00000 0.05867 -0.26607 0.00000
|
|
31 13D-2 0.27515 0.00000 0.05094 0.03911 0.00000
|
|
32 14D 0 6.94970 0.00000 1.10129 2.60790 0.00000
|
|
33 14D+1 0.00000 5.67628 0.00000 0.00000 -0.17718
|
|
34 14D-1 0.00000 5.44102 0.00000 0.00000 -0.01509
|
|
35 14D+2 -2.42797 0.00000 -0.48240 -2.98586 0.00000
|
|
36 14D-2 4.62028 0.00000 0.93007 3.14702 0.00000
|
|
37 15D 0 2.03845 0.00000 0.10543 0.57503 0.00000
|
|
38 15D+1 0.00000 1.35617 0.00000 0.00000 -0.09233
|
|
39 15D-1 0.00000 1.46363 0.00000 0.00000 -0.15312
|
|
40 15D+2 -0.89949 0.00000 -0.06959 -0.58464 0.00000
|
|
41 15D-2 1.30526 0.00000 0.42204 0.97072 0.00000
|
|
42 16F 0 0.00000 -0.08782 0.00000 0.00000 -0.03386
|
|
43 16F+1 0.04814 0.00000 0.00396 -0.07139 0.00000
|
|
44 16F-1 -0.19957 0.00000 0.04448 -0.30108 0.00000
|
|
45 16F+2 0.00000 -0.07115 0.00000 0.00000 0.01760
|
|
46 16F-2 0.00000 -0.39709 0.00000 0.00000 -0.07905
|
|
47 16F+3 -0.19340 0.00000 -0.06847 -0.06482 0.00000
|
|
48 16F-3 0.29701 0.00000 0.18315 0.13404 0.00000
|
|
49 17F 0 0.00000 0.57959 0.00000 0.00000 0.22562
|
|
50 17F+1 0.52856 0.00000 0.99669 -0.25832 0.00000
|
|
51 17F-1 1.30460 0.00000 0.43086 0.91545 0.00000
|
|
52 17F+2 0.00000 0.74331 0.00000 0.00000 -0.08260
|
|
53 17F-2 0.00000 1.81790 0.00000 0.00000 0.61434
|
|
54 17F+3 0.68503 0.00000 0.00826 1.01846 0.00000
|
|
55 17F-3 -0.52043 0.00000 -0.24763 -1.00627 0.00000
|
|
56 18F 0 0.00000 0.31665 0.00000 0.00000 -0.01469
|
|
57 18F+1 0.82003 0.00000 0.12448 -0.44655 0.00000
|
|
58 18F-1 1.50709 0.00000 -0.00278 0.48448 0.00000
|
|
59 18F+2 0.00000 -0.00859 0.00000 0.00000 -0.01603
|
|
60 18F-2 0.00000 1.35740 0.00000 0.00000 0.23469
|
|
61 18F+3 0.37595 0.00000 0.17065 0.33473 0.00000
|
|
62 18F-3 -0.21661 0.00000 -0.39974 -0.93408 0.00000
|
|
63 19G 0 0.07278 0.00000 -0.08837 -0.14434 0.00000
|
|
64 19G+1 0.00000 -0.07319 0.00000 0.00000 0.15272
|
|
65 19G-1 0.00000 0.06944 0.00000 0.00000 0.08476
|
|
66 19G+2 -0.02836 0.00000 -0.09871 -0.01776 0.00000
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323 12D+2 -0.01560 -0.11359 0.09858 0.04397 -0.01883
|
|
324 12D-2 -0.15137 -0.38624 -0.07435 0.07825 -0.10152
|
|
325 13F 0 -0.14337 0.07325 0.06644 0.04534 0.00101
|
|
326 13F+1 0.17083 -0.01779 0.09341 -0.09791 0.00514
|
|
327 13F-1 0.14592 0.02433 0.01662 -0.00011 -0.04129
|
|
328 13F+2 0.05020 0.13003 0.07707 0.01505 0.03836
|
|
329 13F-2 0.14857 0.02981 -0.01254 -0.15117 0.04512
|
|
330 13F+3 -0.01557 0.04335 0.04959 0.13497 -0.02771
|
|
331 13F-3 0.03944 0.08126 0.00666 -0.04078 0.06300
|
|
332 14F 0 0.16081 -0.01247 -0.12276 -0.18100 0.18297
|
|
333 14F+1 -0.28069 -0.14404 0.33884 0.08698 0.12175
|
|
334 14F-1 -0.08690 0.12667 0.23286 0.30132 -0.13981
|
|
335 14F+2 -0.07787 -0.03843 -0.11694 -0.02668 -0.03891
|
|
336 14F-2 -0.15133 0.10292 0.06012 -0.09410 0.14041
|
|
337 14F+3 0.06586 -0.03039 -0.09835 0.10854 -0.23681
|
|
338 14F-3 -0.08583 0.16646 -0.04651 -0.04557 0.10755
|
|
339 15G 0 -0.05650 -0.14235 0.26934 0.25107 -0.14350
|
|
340 15G+1 0.23830 0.25683 -0.29796 0.05353 -0.13299
|
|
341 15G-1 0.07391 -0.05447 -0.11265 -0.18839 0.06103
|
|
342 15G+2 0.04678 0.09652 -0.02968 0.10647 -0.05042
|
|
343 15G-2 0.18850 0.20073 -0.03778 0.09717 -0.03284
|
|
344 15G+3 -0.08321 -0.05479 0.03594 -0.23805 0.25337
|
|
345 15G-3 0.13762 -0.15111 0.04567 0.13104 -0.16227
|
|
346 15G+4 -0.06473 0.08799 0.06095 -0.10296 0.24494
|
|
347 15G-4 0.00116 -0.09120 0.00193 -0.12243 0.00427
|
|
348 6 H 1S 0.22812 -0.40832 0.47077 0.04589 -0.18802
|
|
349 2S 0.47922 -0.02645 -0.93048 0.02987 0.46595
|
|
350 3S -12.48965 12.54945 -1.39970 -1.88148 -0.10174
|
|
351 4S -4.38304 4.41212 -1.60208 -0.15691 -0.52036
|
|
352 5S 0.03058 -0.07065 0.06975 0.05868 -0.17253
|
|
353 6PX 0.16437 -0.09566 0.19780 -0.15588 -0.19978
|
|
354 6PY 0.09548 0.07355 -0.04927 -0.16058 -0.00513
|
|
355 6PZ 0.01315 0.08787 -0.42867 -0.01657 0.11028
|
|
356 7PX -0.19453 0.18743 -0.11485 0.01895 0.10161
|
|
357 7PY -0.14964 0.10829 -0.01190 0.03775 -0.00424
|
|
358 7PZ 0.24055 -0.32577 0.24624 0.07781 -0.05637
|
|
359 8PX 2.40314 -3.15147 0.60096 0.32648 -0.26498
|
|
360 8PY 2.39794 -2.62786 0.70881 0.37603 0.19785
|
|
361 8PZ -4.99395 5.37775 -1.38547 -1.06355 0.24717
|
|
362 9PX 0.87704 -1.07475 0.19734 -0.00001 0.17631
|
|
363 9PY 0.73818 -0.78400 0.26381 -0.04737 0.14599
|
|
364 9PZ -1.69687 1.78725 -0.65947 -0.23223 -0.11569
|
|
365 10D 0 0.42906 -0.21900 -0.28521 -0.16959 -0.10253
|
|
366 10D+1 -0.00714 0.14017 0.03439 -0.26537 -0.07983
|
|
367 10D-1 -0.17858 0.48293 -0.19980 -0.40996 -0.13983
|
|
368 10D+2 -0.05141 -0.00211 -0.25331 0.08403 0.23296
|
|
369 10D-2 -0.01836 -0.29949 -0.02086 -0.03237 -0.15324
|
|
370 11D 0 -0.78922 0.58352 0.04902 0.07766 0.17493
|
|
371 11D+1 0.45655 -0.59599 0.25818 0.22246 -0.06151
|
|
372 11D-1 0.68039 -0.92413 0.40370 0.53599 0.26087
|
|
373 11D+2 0.04590 0.18909 0.25793 -0.13556 -0.23583
|
|
374 11D-2 -0.20399 0.63067 0.00896 0.25627 0.31774
|
|
375 12D 0 -0.38891 0.40793 -0.39058 -0.26053 0.14716
|
|
376 12D+1 0.17777 -0.65578 0.44581 0.10018 -0.09795
|
|
377 12D-1 0.29980 -0.55815 0.35865 0.19072 0.11837
|
|
378 12D+2 -0.01560 0.11359 0.09858 0.04397 0.01883
|
|
379 12D-2 -0.15137 0.38624 -0.07435 0.07825 0.10152
|
|
380 13F 0 0.14337 0.07325 -0.06644 -0.04534 0.00101
|
|
381 13F+1 0.17083 0.01779 0.09341 -0.09791 -0.00514
|
|
382 13F-1 0.14592 -0.02433 0.01662 -0.00011 0.04129
|
|
383 13F+2 -0.05020 0.13003 -0.07707 -0.01505 0.03836
|
|
384 13F-2 -0.14857 0.02981 0.01254 0.15117 0.04512
|
|
385 13F+3 -0.01557 -0.04335 0.04959 0.13497 0.02771
|
|
386 13F-3 0.03944 -0.08126 0.00666 -0.04078 -0.06300
|
|
387 14F 0 -0.16081 -0.01247 0.12276 0.18100 0.18297
|
|
388 14F+1 -0.28069 0.14404 0.33884 0.08698 -0.12175
|
|
389 14F-1 -0.08690 -0.12667 0.23286 0.30132 0.13981
|
|
390 14F+2 0.07787 -0.03843 0.11694 0.02668 -0.03891
|
|
391 14F-2 0.15133 0.10292 -0.06012 0.09410 0.14041
|
|
392 14F+3 0.06586 0.03039 -0.09835 0.10854 0.23681
|
|
393 14F-3 -0.08583 -0.16646 -0.04651 -0.04557 -0.10755
|
|
394 15G 0 -0.05650 0.14235 0.26934 0.25107 0.14350
|
|
395 15G+1 -0.23830 0.25683 0.29796 -0.05353 -0.13299
|
|
396 15G-1 -0.07391 -0.05447 0.11265 0.18839 0.06103
|
|
397 15G+2 0.04678 -0.09652 -0.02968 0.10647 0.05042
|
|
398 15G-2 0.18850 -0.20073 -0.03778 0.09717 0.03284
|
|
399 15G+3 0.08321 -0.05479 -0.03594 0.23805 0.25337
|
|
400 15G-3 -0.13762 -0.15111 -0.04567 -0.13104 -0.16227
|
|
401 15G+4 -0.06473 -0.08799 0.06095 -0.10296 -0.24494
|
|
402 15G-4 0.00116 0.09120 0.00193 -0.12243 -0.00427
|
|
341 342 343 344 345
|
|
V V V V V
|
|
Eigenvalues -- 15.92256 16.01363 16.09886 16.15701 16.21587
|
|
1 1 C 1S 0.01352 0.00000 0.00710 0.00000 0.00509
|
|
2 2S -0.06587 0.00000 -0.08019 0.00000 -0.05949
|
|
3 3S -0.24048 0.00000 -0.47378 0.00000 -0.32508
|
|
4 4S -1.64996 0.00000 -0.48086 0.00000 -0.93104
|
|
5 5S 5.74757 0.00000 6.01796 0.00000 5.14772
|
|
6 6S 0.46802 0.00000 0.93671 0.00000 0.61125
|
|
7 7PX -0.03715 0.00000 -0.00883 0.00000 0.00204
|
|
8 7PY -0.01339 0.00000 -0.15327 0.00000 -0.16809
|
|
9 7PZ 0.00000 -0.00026 0.00000 -0.01101 0.00000
|
|
10 8PX 0.15552 0.00000 0.56056 0.00000 -0.12710
|
|
11 8PY -0.48563 0.00000 0.06248 0.00000 -0.14253
|
|
12 8PZ 0.00000 0.21844 0.00000 0.25128 0.00000
|
|
13 9PX 0.06492 0.00000 -4.25498 0.00000 1.39841
|
|
14 9PY 3.01213 0.00000 1.92339 0.00000 3.55268
|
|
15 9PZ 0.00000 -2.08610 0.00000 -1.69502 0.00000
|
|
16 10PX -0.55019 0.00000 -1.63409 0.00000 0.69450
|
|
17 10PY 0.09521 0.00000 0.15031 0.00000 -0.56569
|
|
18 10PZ 0.00000 0.02738 0.00000 -0.71241 0.00000
|
|
19 11PX -0.12724 0.00000 -0.03557 0.00000 0.13305
|
|
20 11PY 0.00090 0.00000 -0.03661 0.00000 -0.05693
|
|
21 11PZ 0.00000 -0.10361 0.00000 -0.10129 0.00000
|
|
22 12D 0 -0.14234 0.00000 -0.21071 0.00000 -0.14435
|
|
23 12D+1 0.00000 0.05698 0.00000 -0.09148 0.00000
|
|
24 12D-1 0.00000 -0.07924 0.00000 0.04475 0.00000
|
|
25 12D+2 -0.23820 0.00000 -0.32160 0.00000 -0.42615
|
|
26 12D-2 0.12798 0.00000 -0.00069 0.00000 -0.10577
|
|
27 13D 0 0.31506 0.00000 0.40659 0.00000 0.23081
|
|
28 13D+1 0.00000 -0.18457 0.00000 0.18915 0.00000
|
|
29 13D-1 0.00000 -0.02802 0.00000 -0.07900 0.00000
|
|
30 13D+2 0.21028 0.00000 0.55934 0.00000 0.74610
|
|
31 13D-2 -0.04396 0.00000 -0.09325 0.00000 0.13146
|
|
32 14D 0 0.13909 0.00000 -1.12862 0.00000 1.09117
|
|
33 14D+1 0.00000 -0.08858 0.00000 -0.70375 0.00000
|
|
34 14D-1 0.00000 -0.22594 0.00000 -0.49306 0.00000
|
|
35 14D+2 1.04394 0.00000 1.61815 0.00000 0.26409
|
|
36 14D-2 -0.56697 0.00000 -0.46263 0.00000 0.65709
|
|
37 15D 0 -0.34210 0.00000 -0.58716 0.00000 -0.07533
|
|
38 15D+1 0.00000 0.63575 0.00000 -0.14631 0.00000
|
|
39 15D-1 0.00000 -0.34854 0.00000 -0.08361 0.00000
|
|
40 15D+2 0.14334 0.00000 0.19474 0.00000 -0.37963
|
|
41 15D-2 -0.13603 0.00000 0.00029 0.00000 -0.05933
|
|
42 16F 0 0.00000 -0.07923 0.00000 0.00921 0.00000
|
|
43 16F+1 0.08755 0.00000 0.12164 0.00000 0.11130
|
|
44 16F-1 -0.05703 0.00000 0.01732 0.00000 -0.04850
|
|
45 16F+2 0.00000 -0.11472 0.00000 0.01038 0.00000
|
|
46 16F-2 0.00000 0.08613 0.00000 0.00797 0.00000
|
|
47 16F+3 0.01295 0.00000 -0.00016 0.00000 -0.05571
|
|
48 16F-3 0.00233 0.00000 -0.01343 0.00000 -0.04986
|
|
49 17F 0 0.00000 0.29417 0.00000 -0.41994 0.00000
|
|
50 17F+1 -0.08876 0.00000 0.15128 0.00000 0.24033
|
|
51 17F-1 0.55029 0.00000 0.00188 0.00000 0.31416
|
|
52 17F+2 0.00000 0.33832 0.00000 0.04090 0.00000
|
|
53 17F-2 0.00000 -0.50912 0.00000 -0.05553 0.00000
|
|
54 17F+3 -0.16603 0.00000 -0.29232 0.00000 0.25275
|
|
55 17F-3 -0.02589 0.00000 0.32155 0.00000 0.30126
|
|
56 18F 0 0.00000 0.04983 0.00000 0.29169 0.00000
|
|
57 18F+1 0.24932 0.00000 0.21180 0.00000 0.09024
|
|
58 18F-1 0.42875 0.00000 0.12092 0.00000 0.69149
|
|
59 18F+2 0.00000 0.17788 0.00000 -0.00606 0.00000
|
|
60 18F-2 0.00000 -0.18756 0.00000 -0.17098 0.00000
|
|
61 18F+3 -0.14370 0.00000 -0.15602 0.00000 -0.27387
|
|
62 18F-3 0.35353 0.00000 0.56551 0.00000 0.15432
|
|
63 19G 0 -0.23194 0.00000 -0.11907 0.00000 0.11703
|
|
64 19G+1 0.00000 -0.12367 0.00000 0.14176 0.00000
|
|
65 19G-1 0.00000 -0.04721 0.00000 -0.10618 0.00000
|
|
66 19G+2 0.08614 0.00000 -0.00751 0.00000 -0.14768
|
|
67 19G-2 0.08841 0.00000 0.13946 0.00000 0.22816
|
|
68 19G+3 0.00000 0.12724 0.00000 -0.08409 0.00000
|
|
69 19G-3 0.00000 0.04371 0.00000 -0.24845 0.00000
|
|
70 19G+4 0.10393 0.00000 -0.01612 0.00000 -0.11546
|
|
71 19G-4 0.06113 0.00000 -0.29208 0.00000 0.08299
|
|
72 20G 0 -0.81125 0.00000 -0.23684 0.00000 0.24342
|
|
73 20G+1 0.00000 -0.11719 0.00000 0.46339 0.00000
|
|
74 20G-1 0.00000 -0.18617 0.00000 -0.22335 0.00000
|
|
75 20G+2 -0.02615 0.00000 -0.07362 0.00000 -0.48491
|
|
76 20G-2 -0.02625 0.00000 -0.11006 0.00000 0.31283
|
|
77 20G+3 0.00000 0.44851 0.00000 -0.16119 0.00000
|
|
78 20G-3 0.00000 0.05257 0.00000 -0.73776 0.00000
|
|
79 20G+4 0.09963 0.00000 0.05907 0.00000 -0.32665
|
|
80 20G-4 -0.06954 0.00000 -0.53740 0.00000 0.46096
|
|
81 21H 0 0.00000 -0.11968 0.00000 -0.48613 0.00000
|
|
82 21H+1 0.03613 0.00000 0.18399 0.00000 -0.37826
|
|
83 21H-1 -0.06688 0.00000 -0.08679 0.00000 0.64822
|
|
84 21H+2 0.00000 -0.09987 0.00000 0.14142 0.00000
|
|
85 21H-2 0.00000 0.01824 0.00000 -0.07915 0.00000
|
|
86 21H+3 0.20622 0.00000 -0.20741 0.00000 0.11579
|
|
87 21H-3 0.23690 0.00000 0.19408 0.00000 0.28543
|
|
88 21H+4 0.00000 -0.28737 0.00000 0.39412 0.00000
|
|
89 21H-4 0.00000 0.13275 0.00000 -0.47824 0.00000
|
|
90 21H+5 0.08194 0.00000 -0.18877 0.00000 -0.08318
|
|
91 21H-5 0.29054 0.00000 0.42068 0.00000 -0.05924
|
|
92 2 O 1S 0.00541 0.00000 0.00566 0.00000 0.00723
|
|
93 2S -0.04191 0.00000 -0.02788 0.00000 -0.07093
|
|
94 3S -0.17130 0.00000 -0.08619 0.00000 -0.32080
|
|
95 4S 0.07075 0.00000 0.28415 0.00000 0.23103
|
|
96 5S 0.20338 0.00000 -2.43399 0.00000 0.81712
|
|
97 6S 0.44103 0.00000 -1.19024 0.00000 0.22650
|
|
98 7PX -0.01236 0.00000 -0.06691 0.00000 0.01119
|
|
99 7PY -0.04045 0.00000 -0.12805 0.00000 -0.14223
|
|
100 7PZ 0.00000 0.49108 0.00000 -0.08107 0.00000
|
|
101 8PX -0.01576 0.00000 0.14323 0.00000 -0.04982
|
|
102 8PY -0.05919 0.00000 0.10572 0.00000 0.10116
|
|
103 8PZ 0.00000 -0.34431 0.00000 0.29926 0.00000
|
|
104 9PX 0.22578 0.00000 -0.85391 0.00000 0.41084
|
|
105 9PY 0.39090 0.00000 0.42326 0.00000 0.08886
|
|
106 9PZ 0.00000 -1.37430 0.00000 -0.88742 0.00000
|
|
107 10PX -0.22114 0.00000 -1.00479 0.00000 0.18618
|
|
108 10PY 0.72317 0.00000 0.26418 0.00000 0.83051
|
|
109 10PZ 0.00000 -1.89654 0.00000 -0.75531 0.00000
|
|
110 11PX 0.09410 0.00000 -0.01136 0.00000 0.00743
|
|
111 11PY 0.03589 0.00000 -0.01176 0.00000 0.04918
|
|
112 11PZ 0.00000 0.16043 0.00000 0.06009 0.00000
|
|
113 12D 0 -0.00045 0.00000 -0.00893 0.00000 -0.00213
|
|
114 12D+1 0.00000 -0.06204 0.00000 -0.02016 0.00000
|
|
115 12D-1 0.00000 -0.00359 0.00000 0.00009 0.00000
|
|
116 12D+2 0.00275 0.00000 0.00193 0.00000 -0.00103
|
|
117 12D-2 0.02282 0.00000 -0.01773 0.00000 0.00678
|
|
118 13D 0 0.03235 0.00000 0.01962 0.00000 0.06112
|
|
119 13D+1 0.00000 0.17506 0.00000 0.08231 0.00000
|
|
120 13D-1 0.00000 -0.17717 0.00000 -0.11594 0.00000
|
|
121 13D+2 -0.00878 0.00000 0.10557 0.00000 0.06395
|
|
122 13D-2 0.05109 0.00000 -0.02984 0.00000 0.00604
|
|
123 14D 0 -0.15698 0.00000 0.14462 0.00000 -0.34244
|
|
124 14D+1 0.00000 -2.36578 0.00000 -1.03498 0.00000
|
|
125 14D-1 0.00000 1.12983 0.00000 0.68207 0.00000
|
|
126 14D+2 0.05640 0.00000 -0.59649 0.00000 -0.05978
|
|
127 14D-2 0.05698 0.00000 0.50231 0.00000 -0.11041
|
|
128 15D 0 -0.16898 0.00000 0.18361 0.00000 -0.25675
|
|
129 15D+1 0.00000 -1.21868 0.00000 -0.63580 0.00000
|
|
130 15D-1 0.00000 0.47138 0.00000 0.36668 0.00000
|
|
131 15D+2 -0.28384 0.00000 -0.80189 0.00000 -0.50622
|
|
132 15D-2 -0.18166 0.00000 0.29791 0.00000 0.13966
|
|
133 16F 0 0.00000 -0.13755 0.00000 -0.05760 0.00000
|
|
134 16F+1 0.00973 0.00000 0.00611 0.00000 0.01799
|
|
135 16F-1 -0.02434 0.00000 0.00559 0.00000 -0.10356
|
|
136 16F+2 0.00000 0.00541 0.00000 -0.00964 0.00000
|
|
137 16F-2 0.00000 -0.06041 0.00000 0.06297 0.00000
|
|
138 16F+3 0.03320 0.00000 -0.10432 0.00000 0.03622
|
|
139 16F-3 -0.02387 0.00000 -0.08002 0.00000 -0.03416
|
|
140 17F 0 0.00000 0.64698 0.00000 0.25928 0.00000
|
|
141 17F+1 -0.00021 0.00000 0.03577 0.00000 -0.00933
|
|
142 17F-1 -0.06834 0.00000 -0.05377 0.00000 -0.05442
|
|
143 17F+2 0.00000 -0.75852 0.00000 -0.28011 0.00000
|
|
144 17F-2 0.00000 0.50247 0.00000 0.22611 0.00000
|
|
145 17F+3 0.11396 0.00000 0.00320 0.00000 0.15310
|
|
146 17F-3 0.03845 0.00000 0.00113 0.00000 -0.00014
|
|
147 18F 0 0.00000 0.54904 0.00000 0.33423 0.00000
|
|
148 18F+1 0.10051 0.00000 0.07523 0.00000 0.01810
|
|
149 18F-1 -0.29726 0.00000 -0.03850 0.00000 -0.35272
|
|
150 18F+2 0.00000 -0.97523 0.00000 -0.45533 0.00000
|
|
151 18F-2 0.00000 0.46549 0.00000 0.45365 0.00000
|
|
152 18F+3 0.41387 0.00000 -0.58026 0.00000 0.02810
|
|
153 18F-3 -0.19289 0.00000 -0.34924 0.00000 -0.26967
|
|
154 19G 0 0.02590 0.00000 0.00245 0.00000 0.05112
|
|
155 19G+1 0.00000 -0.18918 0.00000 -0.08557 0.00000
|
|
156 19G-1 0.00000 0.03802 0.00000 -0.00260 0.00000
|
|
157 19G+2 0.01235 0.00000 0.04653 0.00000 0.07022
|
|
158 19G-2 0.03707 0.00000 0.02261 0.00000 0.03190
|
|
159 19G+3 0.00000 0.11217 0.00000 -0.01714 0.00000
|
|
160 19G-3 0.00000 -0.15957 0.00000 -0.07485 0.00000
|
|
161 19G+4 -0.04910 0.00000 0.02019 0.00000 -0.03913
|
|
162 19G-4 0.02833 0.00000 -0.00399 0.00000 -0.02510
|
|
163 20G 0 0.01433 0.00000 0.00860 0.00000 0.11479
|
|
164 20G+1 0.00000 0.64284 0.00000 0.26960 0.00000
|
|
165 20G-1 0.00000 -0.31273 0.00000 -0.18973 0.00000
|
|
166 20G+2 0.02503 0.00000 0.17810 0.00000 0.19983
|
|
167 20G-2 -0.06391 0.00000 0.06550 0.00000 -0.04785
|
|
168 20G+3 0.00000 -0.37501 0.00000 -0.18019 0.00000
|
|
169 20G-3 0.00000 0.30723 0.00000 0.21074 0.00000
|
|
170 20G+4 0.21922 0.00000 0.08584 0.00000 0.22124
|
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171 20G-4 0.06794 0.00000 -0.29359 0.00000 0.02466
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|
172 21H 0 0.00000 -0.11097 0.00000 -0.09361 0.00000
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173 21H+1 -0.09544 0.00000 -0.09173 0.00000 -0.08693
|
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174 21H-1 0.25282 0.00000 -0.13047 0.00000 0.43093
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175 21H+2 0.00000 0.39976 0.00000 0.22349 0.00000
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|
176 21H-2 0.00000 -0.07226 0.00000 -0.33731 0.00000
|
|
177 21H+3 -0.41217 0.00000 0.47776 0.00000 -0.04439
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178 21H-3 -0.13073 0.00000 0.44573 0.00000 0.27247
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179 21H+4 0.00000 0.02159 0.00000 0.09137 0.00000
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|
180 21H-4 0.00000 0.16984 0.00000 -0.23368 0.00000
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181 21H+5 -0.14633 0.00000 0.11902 0.00000 0.10026
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182 21H-5 0.01241 0.00000 0.11442 0.00000 0.04637
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183 3 H 1S -0.14206 0.00000 0.24852 0.00000 0.06572
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184 2S 0.56158 0.00000 -0.22099 0.00000 -0.10891
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|
185 3S -2.70795 0.00000 -5.34968 0.00000 -0.43068
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186 4S -1.20399 0.00000 -2.34169 0.00000 0.16068
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187 5S -0.08569 0.00000 0.04465 0.00000 0.09224
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188 6PX 0.14579 0.00000 -0.25980 0.00000 -0.18508
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189 6PY 0.11680 0.00000 0.07200 0.00000 0.06256
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190 6PZ 0.00000 0.14161 0.00000 -0.10758 0.00000
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191 7PX -0.05414 0.00000 0.22573 0.00000 0.09413
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192 7PY -0.06733 0.00000 -0.05006 0.00000 0.01835
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|
193 7PZ 0.00000 -0.08126 0.00000 0.09197 0.00000
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194 8PX -0.85319 0.00000 -2.74430 0.00000 -0.36943
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195 8PY 0.17396 0.00000 0.85943 0.00000 -0.10754
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|
196 8PZ 0.00000 0.13730 0.00000 -0.14058 0.00000
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197 9PX -0.48326 0.00000 -1.01145 0.00000 0.08983
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198 9PY 0.20312 0.00000 0.36995 0.00000 -0.00870
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199 9PZ 0.00000 0.42754 0.00000 0.08232 0.00000
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200 10D 0 0.32680 0.00000 0.27333 0.00000 -0.13151
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201 10D+1 0.00000 0.27211 0.00000 -0.07870 0.00000
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202 10D-1 0.00000 0.18187 0.00000 -0.22562 0.00000
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|
203 10D+2 0.25288 0.00000 0.05967 0.00000 -0.12273
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204 10D-2 0.07820 0.00000 -0.06285 0.00000 0.27885
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|
205 11D 0 -0.49607 0.00000 -0.27452 0.00000 0.46979
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206 11D+1 0.00000 -0.27622 0.00000 0.07439 0.00000
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207 11D-1 0.00000 -0.35242 0.00000 0.42578 0.00000
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|
208 11D+2 -0.41815 0.00000 -0.50432 0.00000 0.06088
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209 11D-2 0.04616 0.00000 0.40573 0.00000 -0.31110
|
|
210 12D 0 -0.16671 0.00000 0.06655 0.00000 0.01377
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211 12D+1 0.00000 0.20710 0.00000 -0.01949 0.00000
|
|
212 12D-1 0.00000 -0.19857 0.00000 0.08861 0.00000
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|
213 12D+2 0.09904 0.00000 -0.36348 0.00000 0.02840
|
|
214 12D-2 0.01571 0.00000 0.27547 0.00000 -0.14839
|
|
215 13F 0 0.00000 -0.00591 0.00000 -0.07457 0.00000
|
|
216 13F+1 -0.01548 0.00000 -0.02014 0.00000 0.24777
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|
217 13F-1 -0.01184 0.00000 0.02848 0.00000 -0.05658
|
|
218 13F+2 0.00000 0.00800 0.00000 0.00100 0.00000
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|
219 13F-2 0.00000 -0.05955 0.00000 0.10467 0.00000
|
|
220 13F+3 -0.06764 0.00000 -0.17134 0.00000 0.04139
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|
221 13F-3 0.14476 0.00000 0.18566 0.00000 0.05045
|
|
222 14F 0 0.00000 -0.00864 0.00000 0.06369 0.00000
|
|
223 14F+1 -0.49590 0.00000 -0.34222 0.00000 0.16102
|
|
224 14F-1 0.03507 0.00000 0.06189 0.00000 -0.09202
|
|
225 14F+2 0.00000 -0.16609 0.00000 0.13618 0.00000
|
|
226 14F-2 0.00000 -0.28775 0.00000 0.23247 0.00000
|
|
227 14F+3 -0.02854 0.00000 -0.12716 0.00000 0.03510
|
|
228 14F-3 -0.01476 0.00000 0.20550 0.00000 -0.29727
|
|
229 15G 0 0.33722 0.00000 0.27895 0.00000 -0.28630
|
|
230 15G+1 0.00000 0.03972 0.00000 -0.10206 0.00000
|
|
231 15G-1 0.00000 0.09682 0.00000 -0.03666 0.00000
|
|
232 15G+2 -0.37395 0.00000 -0.21538 0.00000 0.13543
|
|
233 15G-2 -0.00420 0.00000 0.15567 0.00000 -0.13761
|
|
234 15G+3 0.00000 -0.22269 0.00000 0.14810 0.00000
|
|
235 15G-3 0.00000 -0.24349 0.00000 0.28450 0.00000
|
|
236 15G+4 -0.08006 0.00000 -0.15634 0.00000 0.06136
|
|
237 15G-4 0.11712 0.00000 0.34030 0.00000 -0.23836
|
|
238 4 H 1S 0.03996 0.00000 -0.05486 0.00000 -0.00061
|
|
239 2S -0.13671 0.00000 -0.28384 0.00000 0.19818
|
|
240 3S 0.05283 0.00000 3.05292 0.00000 -0.80660
|
|
241 4S -0.47036 0.00000 0.50243 0.00000 -0.55893
|
|
242 5S 0.03998 0.00000 -0.01328 0.00000 -0.03467
|
|
243 6PX 0.05950 0.00000 0.10482 0.00000 0.02282
|
|
244 6PY -0.04613 0.00000 0.13188 0.00000 0.01807
|
|
245 6PZ 0.00000 0.53481 0.00000 0.27496 0.00000
|
|
246 7PX -0.05518 0.00000 0.02355 0.00000 -0.08286
|
|
247 7PY -0.01502 0.00000 -0.09677 0.00000 -0.01639
|
|
248 7PZ 0.00000 -0.57495 0.00000 -0.29881 0.00000
|
|
249 8PX -0.00679 0.00000 -1.40778 0.00000 0.58733
|
|
250 8PY -0.40561 0.00000 0.97437 0.00000 -0.44538
|
|
251 8PZ 0.00000 3.81534 0.00000 1.89728 0.00000
|
|
252 9PX 0.10871 0.00000 -0.36504 0.00000 0.21394
|
|
253 9PY -0.20195 0.00000 0.22345 0.00000 -0.38609
|
|
254 9PZ 0.00000 0.39395 0.00000 0.32181 0.00000
|
|
255 10D 0 0.09633 0.00000 0.16312 0.00000 -0.01037
|
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256 10D+1 0.00000 0.39884 0.00000 0.15428 0.00000
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|
257 10D-1 0.00000 -0.22033 0.00000 -0.00592 0.00000
|
|
258 10D+2 0.07657 0.00000 -0.25819 0.00000 0.07889
|
|
259 10D-2 0.00692 0.00000 -0.11327 0.00000 0.01092
|
|
260 11D 0 -0.16038 0.00000 -0.38092 0.00000 0.03779
|
|
261 11D+1 0.00000 -2.05108 0.00000 -0.93419 0.00000
|
|
262 11D-1 0.00000 0.81664 0.00000 0.20181 0.00000
|
|
263 11D+2 0.00225 0.00000 0.34783 0.00000 -0.11827
|
|
264 11D-2 0.22731 0.00000 -0.15415 0.00000 0.21515
|
|
265 12D 0 0.04720 0.00000 -0.09918 0.00000 0.17637
|
|
266 12D+1 0.00000 -1.30020 0.00000 -0.73714 0.00000
|
|
267 12D-1 0.00000 0.36989 0.00000 0.18047 0.00000
|
|
268 12D+2 0.10124 0.00000 0.08028 0.00000 0.03214
|
|
269 12D-2 0.20043 0.00000 -0.26697 0.00000 0.19385
|
|
270 13F 0 0.00000 -0.45356 0.00000 -0.21113 0.00000
|
|
271 13F+1 0.04757 0.00000 0.01866 0.00000 0.02728
|
|
272 13F-1 0.05045 0.00000 -0.15554 0.00000 -0.00776
|
|
273 13F+2 0.00000 0.41682 0.00000 0.18209 0.00000
|
|
274 13F-2 0.00000 -0.32149 0.00000 -0.09382 0.00000
|
|
275 13F+3 -0.07364 0.00000 0.09841 0.00000 -0.06758
|
|
276 13F-3 -0.07955 0.00000 0.03165 0.00000 -0.12594
|
|
277 14F 0 0.00000 -0.58993 0.00000 -0.29912 0.00000
|
|
278 14F+1 0.08066 0.00000 0.08511 0.00000 -0.02065
|
|
279 14F-1 0.07232 0.00000 -0.04468 0.00000 0.05567
|
|
280 14F+2 0.00000 0.60706 0.00000 0.33557 0.00000
|
|
281 14F-2 0.00000 -0.50949 0.00000 -0.13010 0.00000
|
|
282 14F+3 -0.01509 0.00000 -0.14647 0.00000 0.01147
|
|
283 14F-3 -0.09947 0.00000 -0.03950 0.00000 -0.02479
|
|
284 15G 0 0.07273 0.00000 0.05340 0.00000 0.05291
|
|
285 15G+1 0.00000 0.57922 0.00000 0.32894 0.00000
|
|
286 15G-1 0.00000 -0.23260 0.00000 -0.04911 0.00000
|
|
287 15G+2 -0.17853 0.00000 0.16517 0.00000 -0.02568
|
|
288 15G-2 -0.21048 0.00000 0.28465 0.00000 -0.00195
|
|
289 15G+3 0.00000 -0.23679 0.00000 -0.10376 0.00000
|
|
290 15G-3 0.00000 0.40683 0.00000 0.00628 0.00000
|
|
291 15G+4 -0.00604 0.00000 0.18002 0.00000 0.05631
|
|
292 15G-4 0.03703 0.00000 0.14976 0.00000 0.05660
|
|
293 5 H 1S 0.10985 -0.12128 0.09828 -0.03207 0.17452
|
|
294 2S -0.12907 0.18234 -0.23156 -0.02106 -0.28036
|
|
295 3S -1.86945 0.95690 -0.01545 1.27640 -2.67328
|
|
296 4S -0.13150 -0.12163 -0.17301 0.56786 -0.73270
|
|
297 5S 0.02850 0.07726 -0.00644 0.03794 -0.02252
|
|
298 6PX -0.18264 -0.15584 0.00836 0.17149 0.21853
|
|
299 6PY 0.11647 -0.00552 0.02090 -0.01882 0.12243
|
|
300 6PZ 0.21729 -0.02508 0.24275 -0.09290 0.10000
|
|
301 7PX 0.09284 0.13554 0.02301 -0.10373 -0.16115
|
|
302 7PY -0.04076 -0.01204 0.03818 0.02739 -0.04013
|
|
303 7PZ -0.14356 0.07330 -0.11774 0.09079 -0.05133
|
|
304 8PX 0.29169 -0.52441 0.02739 -0.09676 0.93060
|
|
305 8PY 0.07616 0.01830 -0.21719 -0.23809 0.25812
|
|
306 8PZ 0.96181 -0.67298 0.18444 -0.65284 1.22081
|
|
307 9PX 0.00499 -0.32884 -0.04545 -0.11541 0.15828
|
|
308 9PY -0.01280 0.23418 -0.08453 -0.10337 0.18279
|
|
309 9PZ 0.12846 -0.02317 0.13540 -0.22952 0.30945
|
|
310 10D 0 -0.22635 -0.16175 -0.19609 0.05896 0.13883
|
|
311 10D+1 0.21674 -0.01324 -0.04467 0.05740 -0.22948
|
|
312 10D-1 -0.07032 0.06837 -0.11551 -0.03261 -0.07791
|
|
313 10D+2 0.28330 0.12723 0.03022 -0.30668 0.21613
|
|
314 10D-2 -0.23408 0.05031 -0.06229 -0.21435 0.02638
|
|
315 11D 0 0.07675 0.23233 0.09057 0.06847 -0.33605
|
|
316 11D+1 -0.33585 0.16159 -0.08221 -0.22346 0.13156
|
|
317 11D-1 -0.10474 -0.09379 0.08684 0.10142 -0.11148
|
|
318 11D+2 -0.30178 -0.14560 -0.03887 0.49541 -0.48433
|
|
319 11D-2 0.35367 -0.03280 0.06097 0.42806 -0.20247
|
|
320 12D 0 -0.08427 0.06156 -0.07935 0.06465 -0.06786
|
|
321 12D+1 0.04123 0.24714 0.02541 -0.01879 -0.06209
|
|
322 12D-1 -0.07579 -0.05424 0.03570 0.13023 -0.09981
|
|
323 12D+2 -0.08347 0.13058 -0.05773 0.07423 -0.11165
|
|
324 12D-2 0.23205 0.09761 0.02721 0.03373 -0.08029
|
|
325 13F 0 0.03394 0.04554 0.04808 -0.17025 0.02124
|
|
326 13F+1 0.05581 -0.03575 0.11235 0.13935 0.01683
|
|
327 13F-1 0.13005 0.00351 0.06597 -0.02601 0.14585
|
|
328 13F+2 -0.07135 0.01100 0.01483 -0.04496 0.04823
|
|
329 13F-2 0.03500 0.00352 0.04098 -0.06826 0.10578
|
|
330 13F+3 -0.05481 0.02477 -0.05527 0.04392 0.08566
|
|
331 13F-3 0.00341 -0.01318 0.01016 -0.12908 0.15440
|
|
332 14F 0 -0.16578 -0.05896 -0.03582 -0.03695 0.15200
|
|
333 14F+1 -0.00959 -0.14631 -0.02606 0.26451 -0.27285
|
|
334 14F-1 0.11614 0.08177 -0.02801 -0.07287 0.10256
|
|
335 14F+2 0.12346 -0.00190 0.01835 -0.13801 0.08950
|
|
336 14F-2 -0.16833 -0.00844 0.02290 -0.12502 0.05936
|
|
337 14F+3 0.28343 0.04691 0.02647 -0.06954 0.08761
|
|
338 14F-3 -0.13881 0.02113 -0.03166 -0.27069 0.13421
|
|
339 15G 0 0.21021 -0.05028 0.03428 0.27763 -0.16848
|
|
340 15G+1 0.05028 0.13405 -0.01499 -0.29638 0.20524
|
|
341 15G-1 -0.16790 -0.07552 -0.03673 0.15789 -0.17711
|
|
342 15G+2 0.04619 0.02283 -0.04512 -0.02719 0.13918
|
|
343 15G-2 0.00964 -0.04163 -0.04332 0.00551 -0.09353
|
|
344 15G+3 -0.16482 -0.09405 0.08592 0.03855 -0.09852
|
|
345 15G-3 0.08120 -0.03419 -0.01883 0.35034 -0.21843
|
|
346 15G+4 -0.16589 -0.04784 -0.01269 -0.15830 0.01138
|
|
347 15G-4 -0.01503 -0.00273 0.06156 0.13415 -0.25010
|
|
348 6 H 1S 0.10985 0.12128 0.09828 0.03207 0.17452
|
|
349 2S -0.12907 -0.18234 -0.23156 0.02106 -0.28036
|
|
350 3S -1.86945 -0.95690 -0.01545 -1.27640 -2.67328
|
|
351 4S -0.13150 0.12163 -0.17301 -0.56786 -0.73270
|
|
352 5S 0.02850 -0.07726 -0.00644 -0.03794 -0.02252
|
|
353 6PX -0.18264 0.15584 0.00836 -0.17149 0.21853
|
|
354 6PY 0.11647 0.00552 0.02090 0.01882 0.12243
|
|
355 6PZ -0.21729 -0.02508 -0.24275 -0.09290 -0.10000
|
|
356 7PX 0.09284 -0.13554 0.02301 0.10373 -0.16115
|
|
357 7PY -0.04076 0.01204 0.03818 -0.02739 -0.04013
|
|
358 7PZ 0.14356 0.07330 0.11774 0.09079 0.05133
|
|
359 8PX 0.29169 0.52441 0.02739 0.09676 0.93060
|
|
360 8PY 0.07616 -0.01830 -0.21719 0.23809 0.25812
|
|
361 8PZ -0.96181 -0.67298 -0.18444 -0.65284 -1.22081
|
|
362 9PX 0.00499 0.32884 -0.04545 0.11541 0.15828
|
|
363 9PY -0.01280 -0.23418 -0.08453 0.10337 0.18279
|
|
364 9PZ -0.12846 -0.02317 -0.13540 -0.22952 -0.30945
|
|
365 10D 0 -0.22635 0.16175 -0.19609 -0.05896 0.13883
|
|
366 10D+1 -0.21674 -0.01324 0.04467 0.05740 0.22948
|
|
367 10D-1 0.07032 0.06837 0.11551 -0.03261 0.07791
|
|
368 10D+2 0.28330 -0.12723 0.03022 0.30668 0.21613
|
|
369 10D-2 -0.23408 -0.05031 -0.06229 0.21435 0.02638
|
|
370 11D 0 0.07675 -0.23233 0.09057 -0.06847 -0.33605
|
|
371 11D+1 0.33585 0.16159 0.08221 -0.22346 -0.13156
|
|
372 11D-1 0.10474 -0.09379 -0.08684 0.10142 0.11148
|
|
373 11D+2 -0.30178 0.14560 -0.03887 -0.49541 -0.48433
|
|
374 11D-2 0.35367 0.03280 0.06097 -0.42806 -0.20247
|
|
375 12D 0 -0.08427 -0.06156 -0.07935 -0.06465 -0.06786
|
|
376 12D+1 -0.04123 0.24714 -0.02541 -0.01879 0.06209
|
|
377 12D-1 0.07579 -0.05424 -0.03570 0.13023 0.09981
|
|
378 12D+2 -0.08347 -0.13058 -0.05773 -0.07423 -0.11165
|
|
379 12D-2 0.23205 -0.09761 0.02721 -0.03373 -0.08029
|
|
380 13F 0 -0.03394 0.04554 -0.04808 -0.17025 -0.02124
|
|
381 13F+1 0.05581 0.03575 0.11235 -0.13935 0.01683
|
|
382 13F-1 0.13005 -0.00351 0.06597 0.02601 0.14585
|
|
383 13F+2 0.07135 0.01100 -0.01483 -0.04496 -0.04823
|
|
384 13F-2 -0.03500 0.00352 -0.04098 -0.06826 -0.10578
|
|
385 13F+3 -0.05481 -0.02477 -0.05527 -0.04392 0.08566
|
|
386 13F-3 0.00341 0.01318 0.01016 0.12908 0.15440
|
|
387 14F 0 0.16578 -0.05896 0.03582 -0.03695 -0.15200
|
|
388 14F+1 -0.00959 0.14631 -0.02606 -0.26451 -0.27285
|
|
389 14F-1 0.11614 -0.08177 -0.02801 0.07287 0.10256
|
|
390 14F+2 -0.12346 -0.00190 -0.01835 -0.13801 -0.08950
|
|
391 14F-2 0.16833 -0.00844 -0.02290 -0.12502 -0.05936
|
|
392 14F+3 0.28343 -0.04691 0.02647 0.06954 0.08761
|
|
393 14F-3 -0.13881 -0.02113 -0.03166 0.27069 0.13421
|
|
394 15G 0 0.21021 0.05028 0.03428 -0.27763 -0.16848
|
|
395 15G+1 -0.05028 0.13405 0.01499 -0.29638 -0.20524
|
|
396 15G-1 0.16790 -0.07552 0.03673 0.15789 0.17711
|
|
397 15G+2 0.04619 -0.02283 -0.04512 0.02719 0.13918
|
|
398 15G-2 0.00964 0.04163 -0.04332 -0.00551 -0.09353
|
|
399 15G+3 0.16482 -0.09405 -0.08592 0.03855 0.09852
|
|
400 15G-3 -0.08120 -0.03419 0.01883 0.35034 0.21843
|
|
401 15G+4 -0.16589 0.04784 -0.01269 0.15830 0.01138
|
|
402 15G-4 -0.01503 0.00273 0.06156 -0.13415 -0.25010
|
|
346 347 348 349 350
|
|
V V V V V
|
|
Eigenvalues -- 16.41859 16.42990 16.69708 16.77102 16.78303
|
|
1 1 C 1S 0.00000 -0.00868 0.00315 0.00000 0.00000
|
|
2 2S 0.00000 -0.03832 -0.02396 0.00000 0.00000
|
|
3 3S 0.00000 -0.41716 -0.24280 0.00000 0.00000
|
|
4 4S 0.00000 1.90630 0.21638 0.00000 0.00000
|
|
5 5S 0.00000 -0.40873 2.11499 0.00000 0.00000
|
|
6 6S 0.00000 0.01134 -0.12311 0.00000 0.00000
|
|
7 7PX 0.00000 -0.01718 -0.00441 0.00000 0.00000
|
|
8 7PY 0.00000 0.09669 0.04744 0.00000 0.00000
|
|
9 7PZ 0.01386 0.00000 0.00000 0.00983 -0.13984
|
|
10 8PX 0.00000 -0.18249 -0.50572 0.00000 0.00000
|
|
11 8PY 0.00000 -0.43168 -0.22965 0.00000 0.00000
|
|
12 8PZ -0.32409 0.00000 0.00000 -0.72783 -1.62530
|
|
13 9PX 0.00000 1.49309 4.33253 0.00000 0.00000
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|
278 14F+1 0.00000 -0.70567 1.01902 0.00000 0.00000
|
|
279 14F-1 0.00000 -0.17992 -0.63679 0.00000 0.00000
|
|
280 14F+2 -0.09655 0.00000 0.00000 0.81925 -0.29824
|
|
281 14F-2 0.05106 0.00000 0.00000 -0.48699 0.14172
|
|
282 14F+3 0.00000 1.59911 -0.01085 0.00000 0.00000
|
|
283 14F-3 0.00000 0.13049 1.70062 0.00000 0.00000
|
|
284 15G 0 0.00000 -0.11806 0.23579 0.00000 0.00000
|
|
285 15G+1 0.09476 0.00000 0.00000 0.30814 -0.12703
|
|
286 15G-1 -0.03748 0.00000 0.00000 -0.06284 0.02453
|
|
287 15G+2 0.00000 0.33267 -0.14476 0.00000 0.00000
|
|
288 15G-2 0.00000 0.14349 0.35539 0.00000 0.00000
|
|
289 15G+3 0.17678 0.00000 0.00000 -0.27714 0.09445
|
|
290 15G-3 -0.18621 0.00000 0.00000 0.22329 -0.06201
|
|
291 15G+4 0.00000 -0.83789 -0.33757 0.00000 0.00000
|
|
292 15G-4 0.00000 -0.08996 -0.56629 0.00000 0.00000
|
|
293 5 H 1S 0.06544 0.08563 0.08368 0.23310 0.64762
|
|
294 2S -0.03497 -0.16175 -0.04309 -0.47067 -0.89310
|
|
295 3S -1.88050 -1.05635 -2.85353 -4.29485 -14.20905
|
|
296 4S -0.67903 -0.47291 -0.72109 -1.29940 -4.32142
|
|
297 5S 0.01272 0.04030 0.05223 0.01152 0.18026
|
|
298 6PX -0.14199 0.02951 0.00312 0.09449 0.27774
|
|
299 6PY 0.03432 0.04373 0.03325 0.22217 0.36591
|
|
300 6PZ 0.10723 0.06836 0.07168 0.16689 0.56206
|
|
301 7PX 0.07931 -0.01089 0.00970 -0.05868 -0.19956
|
|
302 7PY -0.04481 -0.04897 -0.05048 -0.17487 -0.32343
|
|
303 7PZ -0.09898 -0.04685 -0.08260 -0.10880 -0.45158
|
|
304 8PX 0.40681 0.11479 0.46571 1.06336 3.58656
|
|
305 8PY 0.50967 0.44908 0.64978 1.11632 3.57139
|
|
306 8PZ 0.84737 0.62952 1.17583 2.09197 6.75883
|
|
307 9PX 0.10214 0.21519 0.17682 0.26317 1.06379
|
|
308 9PY 0.12095 0.14091 0.14420 0.18520 0.99923
|
|
309 9PZ 0.33393 0.10279 0.29008 0.66944 2.05331
|
|
310 10D 0 -0.10906 0.00042 0.03401 0.01135 -0.03603
|
|
311 10D+1 0.16958 -0.01242 -0.00194 -0.01804 0.01758
|
|
312 10D-1 -0.14280 0.04095 0.04548 -0.00211 0.01293
|
|
313 10D+2 -0.02126 -0.02423 -0.02165 0.10591 -0.02658
|
|
314 10D-2 0.25091 -0.03417 -0.01350 -0.01072 -0.10434
|
|
315 11D 0 0.02072 -0.06354 -0.12381 -0.22694 -0.61709
|
|
316 11D+1 -0.29527 -0.02859 -0.09287 -0.20047 -0.89471
|
|
317 11D-1 0.23385 -0.17801 -0.20504 -0.28540 -0.83047
|
|
318 11D+2 0.16228 0.06012 0.04101 -0.17710 0.04277
|
|
319 11D-2 -0.54375 0.02222 -0.02552 -0.11523 -0.20149
|
|
320 12D 0 -0.07273 -0.11089 -0.13039 -0.25721 -0.79196
|
|
321 12D+1 -0.13458 -0.13218 -0.11524 -0.27302 -0.92649
|
|
322 12D-1 -0.11888 -0.12533 -0.13999 -0.39058 -0.96135
|
|
323 12D+2 0.00230 -0.01529 0.03659 -0.05911 -0.03864
|
|
324 12D-2 -0.07573 -0.10486 0.02418 -0.14851 -0.49817
|
|
325 13F 0 0.15248 -0.01081 -0.02278 0.03731 0.03880
|
|
326 13F+1 0.03977 -0.00788 -0.00045 0.06159 0.26215
|
|
327 13F-1 -0.15029 0.02352 0.01820 0.06999 0.22068
|
|
328 13F+2 -0.09759 -0.02805 -0.01430 0.01110 0.01349
|
|
329 13F-2 0.09077 0.02774 0.04483 0.02866 0.17024
|
|
330 13F+3 -0.14557 0.01845 0.00501 -0.00580 -0.00749
|
|
331 13F-3 0.04111 -0.01447 0.00333 0.01038 -0.01417
|
|
332 14F 0 -0.02632 -0.00845 0.01605 -0.00458 0.02079
|
|
333 14F+1 0.07280 0.05051 0.02519 0.00292 0.17435
|
|
334 14F-1 -0.23621 0.07931 0.06455 0.15645 0.18909
|
|
335 14F+2 0.04327 0.02183 -0.00715 0.03621 -0.01433
|
|
336 14F-2 0.17285 0.03905 -0.03150 0.09157 0.05691
|
|
337 14F+3 -0.16958 -0.01509 -0.00529 0.06890 0.03824
|
|
338 14F-3 0.08525 0.05073 -0.01968 0.05839 -0.07179
|
|
339 15G 0 -0.22205 0.03263 0.01068 0.01081 0.02952
|
|
340 15G+1 -0.11722 0.00408 0.01184 0.00810 -0.10314
|
|
341 15G-1 0.32129 -0.02647 -0.02299 -0.08274 -0.09775
|
|
342 15G+2 -0.05755 0.01361 0.01496 0.01714 -0.01478
|
|
343 15G-2 -0.02315 -0.03882 -0.00061 -0.05398 -0.13044
|
|
344 15G+3 0.26248 -0.00054 0.00770 -0.03118 -0.05893
|
|
345 15G-3 -0.09075 -0.05151 -0.00914 -0.03731 0.08308
|
|
346 15G+4 0.15108 0.00056 -0.00700 -0.01767 -0.10312
|
|
347 15G-4 0.03482 -0.02552 0.00589 -0.02366 0.03537
|
|
348 6 H 1S -0.06544 0.08563 0.08368 -0.23310 -0.64762
|
|
349 2S 0.03497 -0.16175 -0.04309 0.47067 0.89310
|
|
350 3S 1.88050 -1.05635 -2.85353 4.29485 14.20905
|
|
351 4S 0.67903 -0.47291 -0.72109 1.29940 4.32142
|
|
352 5S -0.01272 0.04030 0.05223 -0.01152 -0.18026
|
|
353 6PX 0.14199 0.02951 0.00312 -0.09449 -0.27774
|
|
354 6PY -0.03432 0.04373 0.03325 -0.22217 -0.36591
|
|
355 6PZ 0.10723 -0.06836 -0.07168 0.16689 0.56206
|
|
356 7PX -0.07931 -0.01089 0.00970 0.05868 0.19956
|
|
357 7PY 0.04481 -0.04897 -0.05048 0.17487 0.32343
|
|
358 7PZ -0.09898 0.04685 0.08260 -0.10880 -0.45158
|
|
359 8PX -0.40681 0.11479 0.46571 -1.06336 -3.58656
|
|
360 8PY -0.50967 0.44908 0.64978 -1.11632 -3.57139
|
|
361 8PZ 0.84737 -0.62952 -1.17583 2.09197 6.75883
|
|
362 9PX -0.10214 0.21519 0.17682 -0.26317 -1.06379
|
|
363 9PY -0.12095 0.14091 0.14420 -0.18520 -0.99923
|
|
364 9PZ 0.33393 -0.10279 -0.29008 0.66944 2.05331
|
|
365 10D 0 0.10906 0.00042 0.03401 -0.01135 0.03603
|
|
366 10D+1 0.16958 0.01242 0.00194 -0.01804 0.01758
|
|
367 10D-1 -0.14280 -0.04095 -0.04548 -0.00211 0.01293
|
|
368 10D+2 0.02126 -0.02423 -0.02165 -0.10591 0.02658
|
|
369 10D-2 -0.25091 -0.03417 -0.01350 0.01072 0.10434
|
|
370 11D 0 -0.02072 -0.06354 -0.12381 0.22694 0.61709
|
|
371 11D+1 -0.29527 0.02859 0.09287 -0.20047 -0.89471
|
|
372 11D-1 0.23385 0.17801 0.20504 -0.28540 -0.83047
|
|
373 11D+2 -0.16228 0.06012 0.04101 0.17710 -0.04277
|
|
374 11D-2 0.54375 0.02222 -0.02552 0.11523 0.20149
|
|
375 12D 0 0.07273 -0.11089 -0.13039 0.25721 0.79196
|
|
376 12D+1 -0.13458 0.13218 0.11524 -0.27302 -0.92649
|
|
377 12D-1 -0.11888 0.12533 0.13999 -0.39058 -0.96135
|
|
378 12D+2 -0.00230 -0.01529 0.03659 0.05911 0.03864
|
|
379 12D-2 0.07573 -0.10486 0.02418 0.14851 0.49817
|
|
380 13F 0 0.15248 0.01081 0.02278 0.03731 0.03880
|
|
381 13F+1 -0.03977 -0.00788 -0.00045 -0.06159 -0.26215
|
|
382 13F-1 0.15029 0.02352 0.01820 -0.06999 -0.22068
|
|
383 13F+2 -0.09759 0.02805 0.01430 0.01110 0.01349
|
|
384 13F-2 0.09077 -0.02774 -0.04483 0.02866 0.17024
|
|
385 13F+3 0.14557 0.01845 0.00501 0.00580 0.00749
|
|
386 13F-3 -0.04111 -0.01447 0.00333 -0.01038 0.01417
|
|
387 14F 0 -0.02632 0.00845 -0.01605 -0.00458 0.02079
|
|
388 14F+1 -0.07280 0.05051 0.02519 -0.00292 -0.17435
|
|
389 14F-1 0.23621 0.07931 0.06455 -0.15645 -0.18909
|
|
390 14F+2 0.04327 -0.02183 0.00715 0.03621 -0.01433
|
|
391 14F-2 0.17285 -0.03905 0.03150 0.09157 0.05691
|
|
392 14F+3 0.16958 -0.01509 -0.00529 -0.06890 -0.03824
|
|
393 14F-3 -0.08525 0.05073 -0.01968 -0.05839 0.07179
|
|
394 15G 0 0.22205 0.03263 0.01068 -0.01081 -0.02952
|
|
395 15G+1 -0.11722 -0.00408 -0.01184 0.00810 -0.10314
|
|
396 15G-1 0.32129 0.02647 0.02299 -0.08274 -0.09775
|
|
397 15G+2 0.05755 0.01361 0.01496 -0.01714 0.01478
|
|
398 15G-2 0.02315 -0.03882 -0.00061 0.05398 0.13044
|
|
399 15G+3 0.26248 0.00054 -0.00770 -0.03118 -0.05893
|
|
400 15G-3 -0.09075 0.05151 0.00914 -0.03731 0.08308
|
|
401 15G+4 -0.15108 0.00056 -0.00700 0.01767 0.10312
|
|
402 15G-4 -0.03482 -0.02552 0.00589 0.02366 -0.03537
|
|
351 352 353 354 355
|
|
V V V V V
|
|
Eigenvalues -- 16.81602 16.99203 17.33605 17.47621 17.57000
|
|
1 1 C 1S 0.00129 0.00000 0.00700 0.00000 0.00088
|
|
2 2S 0.01997 0.00000 -0.00018 0.00000 0.01836
|
|
3 3S 0.16584 0.00000 0.09981 0.00000 0.13139
|
|
4 4S -0.20583 0.00000 -1.28481 0.00000 0.33735
|
|
5 5S -1.47835 0.00000 3.69407 0.00000 -2.27250
|
|
6 6S -0.14825 0.00000 -0.11129 0.00000 0.20768
|
|
7 7PX -0.15298 0.00000 0.02284 0.00000 -0.14491
|
|
8 7PY -0.00582 0.00000 0.05876 0.00000 -0.09758
|
|
9 7PZ 0.00000 -0.01981 0.00000 -0.01970 0.00000
|
|
10 8PX -1.70103 0.00000 0.05594 0.00000 -0.51462
|
|
11 8PY -0.05998 0.00000 -0.48324 0.00000 0.69160
|
|
12 8PZ 0.00000 0.04073 0.00000 -0.11365 0.00000
|
|
13 9PX 20.39067 0.00000 -1.89322 0.00000 6.55717
|
|
14 9PY 0.66889 0.00000 1.12801 0.00000 -2.54604
|
|
15 9PZ 0.00000 -0.29877 0.00000 1.21943 0.00000
|
|
16 10PX 4.85130 0.00000 -0.91082 0.00000 1.82560
|
|
17 10PY 0.11065 0.00000 1.79097 0.00000 -0.06685
|
|
18 10PZ 0.00000 -0.01609 0.00000 0.05175 0.00000
|
|
19 11PX 0.00695 0.00000 -0.03632 0.00000 0.09807
|
|
20 11PY -0.03371 0.00000 0.13993 0.00000 -0.00612
|
|
21 11PZ 0.00000 0.00289 0.00000 0.03994 0.00000
|
|
22 12D 0 -0.65432 0.00000 0.12043 0.00000 0.09340
|
|
23 12D+1 0.00000 -0.00133 0.00000 -0.00328 0.00000
|
|
24 12D-1 0.00000 -0.02373 0.00000 0.03227 0.00000
|
|
25 12D+2 0.47189 0.00000 0.08243 0.00000 0.00611
|
|
26 12D-2 -0.45526 0.00000 0.11295 0.00000 0.24613
|
|
27 13D 0 1.29440 0.00000 -0.29232 0.00000 -0.06070
|
|
28 13D+1 0.00000 -0.02918 0.00000 0.03782 0.00000
|
|
29 13D-1 0.00000 -0.00996 0.00000 -0.06439 0.00000
|
|
30 13D+2 -0.92061 0.00000 -0.31736 0.00000 0.09166
|
|
31 13D-2 0.87161 0.00000 -0.06902 0.00000 -0.47961
|
|
32 14D 0 7.51651 0.00000 -0.46060 0.00000 -0.71212
|
|
33 14D+1 0.00000 -0.09337 0.00000 0.02708 0.00000
|
|
34 14D-1 0.00000 0.22809 0.00000 -0.25819 0.00000
|
|
35 14D+2 -5.56334 0.00000 1.40121 0.00000 -1.21947
|
|
36 14D-2 5.93833 0.00000 -1.63276 0.00000 -2.17068
|
|
37 15D 0 1.10221 0.00000 0.39650 0.00000 0.22713
|
|
38 15D+1 0.00000 -0.12524 0.00000 -0.16302 0.00000
|
|
39 15D-1 0.00000 -0.14046 0.00000 -0.07320 0.00000
|
|
40 15D+2 -0.88763 0.00000 0.52940 0.00000 -0.27222
|
|
41 15D-2 1.12033 0.00000 -0.29793 0.00000 -0.30345
|
|
42 16F 0 0.00000 0.00661 0.00000 0.10463 0.00000
|
|
43 16F+1 -0.03912 0.00000 -0.05815 0.00000 0.04602
|
|
44 16F-1 -0.06388 0.00000 0.05968 0.00000 -0.04337
|
|
45 16F+2 0.00000 -0.03540 0.00000 -0.06337 0.00000
|
|
46 16F-2 0.00000 -0.02213 0.00000 0.00513 0.00000
|
|
47 16F+3 -0.08921 0.00000 0.13294 0.00000 0.01889
|
|
48 16F-3 -0.00544 0.00000 0.07835 0.00000 -0.04741
|
|
49 17F 0 0.00000 0.17136 0.00000 2.55369 0.00000
|
|
50 17F+1 -0.02273 0.00000 0.00705 0.00000 0.30005
|
|
51 17F-1 1.61341 0.00000 -0.24029 0.00000 -1.08419
|
|
52 17F+2 0.00000 -0.15310 0.00000 -1.56908 0.00000
|
|
53 17F-2 0.00000 -0.02073 0.00000 -0.44872 0.00000
|
|
54 17F+3 0.86470 0.00000 -0.52304 0.00000 1.82230
|
|
55 17F-3 -1.09225 0.00000 -0.17393 0.00000 1.53335
|
|
56 18F 0 0.00000 -0.10508 0.00000 1.51907 0.00000
|
|
57 18F+1 0.03745 0.00000 0.47652 0.00000 -0.07998
|
|
58 18F-1 0.94410 0.00000 -0.30438 0.00000 -1.02916
|
|
59 18F+2 0.00000 0.11000 0.00000 -0.92358 0.00000
|
|
60 18F-2 0.00000 -0.05470 0.00000 -0.35477 0.00000
|
|
61 18F+3 1.03308 0.00000 -0.35321 0.00000 1.18439
|
|
62 18F-3 -0.57036 0.00000 0.22051 0.00000 1.10294
|
|
63 19G 0 -0.09990 0.00000 0.00097 0.00000 -0.04612
|
|
64 19G+1 0.00000 0.05539 0.00000 0.05886 0.00000
|
|
65 19G-1 0.00000 0.01083 0.00000 0.47705 0.00000
|
|
66 19G+2 0.11158 0.00000 -0.06919 0.00000 0.51299
|
|
67 19G-2 0.09306 0.00000 0.10149 0.00000 0.08064
|
|
68 19G+3 0.00000 -0.00672 0.00000 0.15951 0.00000
|
|
69 19G-3 0.00000 -0.04238 0.00000 -0.47381 0.00000
|
|
70 19G+4 -0.12209 0.00000 -0.05823 0.00000 -0.36578
|
|
71 19G-4 0.24573 0.00000 0.11589 0.00000 -0.03396
|
|
72 20G 0 -0.35623 0.00000 0.10836 0.00000 -0.16454
|
|
73 20G+1 0.00000 0.01851 0.00000 0.09743 0.00000
|
|
74 20G-1 0.00000 -0.26932 0.00000 0.54465 0.00000
|
|
75 20G+2 0.70600 0.00000 -0.17296 0.00000 0.91195
|
|
76 20G-2 0.36512 0.00000 0.01881 0.00000 0.13896
|
|
77 20G+3 0.00000 0.03207 0.00000 0.07961 0.00000
|
|
78 20G-3 0.00000 -0.05884 0.00000 -0.48146 0.00000
|
|
79 20G+4 -0.49719 0.00000 -0.13323 0.00000 -0.39700
|
|
80 20G-4 0.60216 0.00000 0.23634 0.00000 0.12640
|
|
81 21H 0 0.00000 -0.01034 0.00000 0.02434 0.00000
|
|
82 21H+1 0.44652 0.00000 -0.08792 0.00000 -0.01646
|
|
83 21H-1 -0.00331 0.00000 0.04013 0.00000 -0.06763
|
|
84 21H+2 0.00000 0.07211 0.00000 0.00826 0.00000
|
|
85 21H-2 0.00000 -0.02421 0.00000 0.04793 0.00000
|
|
86 21H+3 -0.39121 0.00000 0.05813 0.00000 0.05755
|
|
87 21H-3 0.36910 0.00000 -0.01600 0.00000 0.04184
|
|
88 21H+4 0.00000 -0.14307 0.00000 0.00904 0.00000
|
|
89 21H-4 0.00000 -0.18985 0.00000 0.01151 0.00000
|
|
90 21H+5 -0.01959 0.00000 0.22911 0.00000 0.20657
|
|
91 21H-5 -0.35420 0.00000 -0.14845 0.00000 0.00187
|
|
92 2 O 1S 0.00089 0.00000 0.00292 0.00000 -0.00068
|
|
93 2S -0.01630 0.00000 0.09958 0.00000 -0.02608
|
|
94 3S -0.09871 0.00000 0.67211 0.00000 -0.23439
|
|
95 4S 0.04575 0.00000 -1.23579 0.00000 1.01146
|
|
96 5S 1.40628 0.00000 -3.51714 0.00000 -0.49500
|
|
97 6S 0.53828 0.00000 -1.12257 0.00000 0.02873
|
|
98 7PX 0.03545 0.00000 -0.03590 0.00000 -0.16306
|
|
99 7PY -0.02232 0.00000 0.24019 0.00000 -0.30533
|
|
100 7PZ 0.00000 0.32112 0.00000 0.00000 0.00000
|
|
101 8PX -0.14258 0.00000 0.27686 0.00000 0.29970
|
|
102 8PY 0.01967 0.00000 -0.64982 0.00000 0.65788
|
|
103 8PZ 0.00000 -0.49525 0.00000 0.01494 0.00000
|
|
104 9PX 0.81809 0.00000 -2.74321 0.00000 0.41647
|
|
105 9PY -0.07960 0.00000 2.23312 0.00000 -1.25258
|
|
106 9PZ 0.00000 0.13283 0.00000 0.01729 0.00000
|
|
107 10PX 1.46550 0.00000 -2.87827 0.00000 0.27280
|
|
108 10PY -0.12827 0.00000 -0.27684 0.00000 -1.04399
|
|
109 10PZ 0.00000 0.52085 0.00000 -0.09625 0.00000
|
|
110 11PX 0.19161 0.00000 -0.47444 0.00000 0.10397
|
|
111 11PY -0.10004 0.00000 0.15273 0.00000 -0.20657
|
|
112 11PZ 0.00000 -0.00692 0.00000 -0.07435 0.00000
|
|
113 12D 0 0.00545 0.00000 -0.00724 0.00000 0.00119
|
|
114 12D+1 0.00000 -0.04085 0.00000 -0.01455 0.00000
|
|
115 12D-1 0.00000 -0.00182 0.00000 0.01735 0.00000
|
|
116 12D+2 -0.00552 0.00000 0.02030 0.00000 -0.01969
|
|
117 12D-2 0.02242 0.00000 0.03559 0.00000 0.05582
|
|
118 13D 0 0.00733 0.00000 0.07331 0.00000 -0.07420
|
|
119 13D+1 0.00000 -0.09300 0.00000 0.03518 0.00000
|
|
120 13D-1 0.00000 -0.01665 0.00000 0.00498 0.00000
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371 11D+1 0.50407 -0.08164 -0.06090 -0.59790 -0.66574
|
|
372 11D-1 0.28023 0.10633 -0.07437 0.07022 0.63163
|
|
373 11D+2 0.05987 -0.05314 0.00580 0.37647 0.68147
|
|
374 11D-2 -0.46296 0.03005 0.05743 0.57425 0.08476
|
|
375 12D 0 -0.45148 -0.07454 0.09816 -1.14746 -0.25147
|
|
376 12D+1 0.58812 -0.02795 -0.06277 -0.70257 -0.79860
|
|
377 12D-1 0.56866 0.06529 -0.22583 0.07600 0.82931
|
|
378 12D+2 -0.04096 0.00560 -0.08223 0.44592 0.77164
|
|
379 12D-2 -0.37992 -0.01883 -0.00085 0.78359 -0.06761
|
|
380 13F 0 0.00354 0.00784 -0.00358 -0.13179 -0.03336
|
|
381 13F+1 0.14885 -0.03107 0.02121 -0.01270 -0.01404
|
|
382 13F-1 0.03802 0.03514 -0.00371 0.05653 0.03879
|
|
383 13F+2 -0.04487 -0.02279 0.02177 0.05684 0.10351
|
|
384 13F-2 -0.15600 0.03214 0.02738 0.07790 0.00129
|
|
385 13F+3 -0.04282 0.02924 0.02926 -0.00638 0.02223
|
|
386 13F-3 0.05053 0.00144 -0.00492 -0.06087 -0.01446
|
|
387 14F 0 -0.07114 -0.05585 -0.00989 -0.74496 -0.11974
|
|
388 14F+1 0.08750 -0.03343 -0.05201 0.02592 -0.29757
|
|
389 14F-1 -0.04579 0.11120 -0.09371 0.31534 0.42335
|
|
390 14F+2 -0.03140 0.03249 -0.08626 0.36303 0.56941
|
|
391 14F-2 -0.18840 -0.01813 0.04189 0.40493 -0.02439
|
|
392 14F+3 -0.12605 0.02148 0.01246 0.07112 -0.27650
|
|
393 14F-3 0.08579 0.01379 0.00851 -0.28822 -0.20727
|
|
394 15G 0 -0.04292 -0.01188 -0.01933 -0.30806 -0.03557
|
|
395 15G+1 0.02118 -0.03428 0.02443 0.20920 -0.04568
|
|
396 15G-1 -0.11222 0.11287 -0.02104 0.26493 0.15222
|
|
397 15G+2 -0.11117 0.03647 -0.01517 0.17740 0.26497
|
|
398 15G-2 -0.09717 -0.00093 0.03497 0.09284 -0.04469
|
|
399 15G+3 -0.08258 0.03335 0.04967 0.00831 -0.18129
|
|
400 15G-3 0.12348 0.00660 0.00805 -0.23441 -0.13818
|
|
401 15G+4 0.05489 -0.00949 -0.00437 -0.06391 0.01808
|
|
402 15G-4 0.02776 -0.01291 -0.01699 0.05660 0.08014
|
|
356 357 358 359 360
|
|
V V V V V
|
|
Eigenvalues -- 17.57034 17.75321 17.79946 17.88724 17.89240
|
|
1 1 C 1S 0.00000 -0.00219 0.00708 0.00000 -0.00087
|
|
2 2S 0.00000 -0.03260 -0.00260 0.00000 -0.00206
|
|
3 3S 0.00000 -0.31202 0.08092 0.00000 -0.03059
|
|
4 4S 0.00000 1.52307 -0.51028 0.00000 -0.36745
|
|
5 5S 0.00000 -1.73473 -1.38145 0.00000 2.62708
|
|
6 6S 0.00000 -0.33746 -0.26815 0.00000 0.44588
|
|
7 7PX 0.00000 0.02333 -0.01818 0.00000 -0.13966
|
|
8 7PY 0.00000 0.22499 -0.14745 0.00000 -0.01230
|
|
9 7PZ -0.16231 0.00000 0.00000 -0.17219 0.00000
|
|
10 8PX 0.00000 -0.54910 0.16416 0.00000 -0.82077
|
|
11 8PY 0.00000 -1.44026 -0.69791 0.00000 -0.09512
|
|
12 8PZ -0.47431 0.00000 0.00000 -0.85774 0.00000
|
|
13 9PX 0.00000 2.63212 -0.39098 0.00000 8.41847
|
|
14 9PY 0.00000 5.48653 7.01122 0.00000 0.57346
|
|
15 9PZ 6.42759 0.00000 0.00000 9.81477 0.00000
|
|
16 10PX 0.00000 0.61293 -0.13233 0.00000 2.41879
|
|
17 10PY 0.00000 1.50572 1.37576 0.00000 0.34586
|
|
18 10PZ 2.01727 0.00000 0.00000 2.86345 0.00000
|
|
19 11PX 0.00000 -0.08567 -0.02449 0.00000 0.13212
|
|
20 11PY 0.00000 -0.07533 -0.02693 0.00000 -0.00607
|
|
21 11PZ 0.16122 0.00000 0.00000 0.12115 0.00000
|
|
22 12D 0 0.00000 -0.03668 0.25820 0.00000 0.58911
|
|
23 12D+1 0.01465 0.00000 0.00000 0.67028 0.00000
|
|
24 12D-1 0.29608 0.00000 0.00000 -0.49817 0.00000
|
|
25 12D+2 0.00000 -0.14823 0.33465 0.00000 -0.30590
|
|
26 12D-2 0.00000 -0.14546 -0.04827 0.00000 -0.61717
|
|
27 13D 0 0.00000 -0.20038 -0.45296 0.00000 -1.08317
|
|
28 13D+1 -0.01317 0.00000 0.00000 -1.26091 0.00000
|
|
29 13D-1 -0.55469 0.00000 0.00000 0.88984 0.00000
|
|
30 13D+2 0.00000 0.07856 -0.62367 0.00000 0.55161
|
|
31 13D-2 0.00000 0.16426 0.04448 0.00000 1.18188
|
|
32 14D 0 0.00000 1.12618 -2.84118 0.00000 -3.92730
|
|
33 14D+1 0.41998 0.00000 0.00000 -4.40938 0.00000
|
|
34 14D-1 -2.16267 0.00000 0.00000 5.42366 0.00000
|
|
35 14D+2 0.00000 2.88754 -4.35320 0.00000 1.97652
|
|
36 14D-2 0.00000 0.39880 0.67974 0.00000 6.11601
|
|
37 15D 0 0.00000 0.16424 -0.69053 0.00000 -0.49376
|
|
38 15D+1 0.52152 0.00000 0.00000 -0.66441 0.00000
|
|
39 15D-1 -0.39255 0.00000 0.00000 1.17353 0.00000
|
|
40 15D+2 0.00000 0.49699 -0.81554 0.00000 0.25800
|
|
41 15D-2 0.00000 0.01142 0.22632 0.00000 1.33667
|
|
42 16F 0 -0.01989 0.00000 0.00000 -0.04596 0.00000
|
|
43 16F+1 0.00000 -0.08488 0.08852 0.00000 -0.01263
|
|
44 16F-1 0.00000 0.11276 -0.04840 0.00000 0.03508
|
|
45 16F+2 0.01707 0.00000 0.00000 -0.03008 0.00000
|
|
46 16F-2 -0.00207 0.00000 0.00000 0.04303 0.00000
|
|
47 16F+3 0.00000 -0.02880 -0.03145 0.00000 -0.00509
|
|
48 16F-3 0.00000 0.12393 -0.06603 0.00000 -0.03463
|
|
49 17F 0 0.98758 0.00000 0.00000 -0.18720 0.00000
|
|
50 17F+1 0.00000 0.64675 -1.47593 0.00000 -0.09862
|
|
51 17F-1 0.00000 -0.78417 0.70365 0.00000 -0.41843
|
|
52 17F+2 2.31458 0.00000 0.00000 -0.30957 0.00000
|
|
53 17F-2 -1.35127 0.00000 0.00000 -0.78169 0.00000
|
|
54 17F+3 0.00000 0.32254 -0.10823 0.00000 -1.19075
|
|
55 17F-3 0.00000 -0.09643 0.64815 0.00000 0.06220
|
|
56 18F 0 0.59418 0.00000 0.00000 -0.20954 0.00000
|
|
57 18F+1 0.00000 0.20382 -1.56972 0.00000 0.21733
|
|
58 18F-1 0.00000 -0.66984 0.64984 0.00000 -0.42425
|
|
59 18F+2 1.42558 0.00000 0.00000 -0.22669 0.00000
|
|
60 18F-2 -1.08205 0.00000 0.00000 -0.49693 0.00000
|
|
61 18F+3 0.00000 -0.05960 0.06031 0.00000 -0.52206
|
|
62 18F-3 0.00000 -0.20026 0.91748 0.00000 0.29723
|
|
63 19G 0 0.00000 -0.07793 -0.21001 0.00000 -0.61831
|
|
64 19G+1 0.59017 0.00000 0.00000 0.37486 0.00000
|
|
65 19G-1 0.00612 0.00000 0.00000 0.16583 0.00000
|
|
66 19G+2 0.00000 0.15166 -0.30576 0.00000 0.08070
|
|
67 19G-2 0.00000 -0.02183 0.17938 0.00000 0.09399
|
|
68 19G+3 0.27999 0.00000 0.00000 -0.50698 0.00000
|
|
69 19G-3 0.18695 0.00000 0.00000 -0.01928 0.00000
|
|
70 19G+4 0.00000 0.01124 -0.22924 0.00000 0.18923
|
|
71 19G-4 0.00000 0.01010 -0.14707 0.00000 0.27266
|
|
72 20G 0 0.00000 -0.21535 -0.52897 0.00000 -0.94743
|
|
73 20G+1 0.99231 0.00000 0.00000 0.81078 0.00000
|
|
74 20G-1 0.15767 0.00000 0.00000 0.42151 0.00000
|
|
75 20G+2 0.00000 0.12446 -0.76447 0.00000 0.38289
|
|
76 20G-2 0.00000 0.17240 0.31286 0.00000 0.24763
|
|
77 20G+3 0.41834 0.00000 0.00000 -0.72170 0.00000
|
|
78 20G-3 0.33130 0.00000 0.00000 0.17635 0.00000
|
|
79 20G+4 0.00000 -0.46697 -0.52036 0.00000 0.05283
|
|
80 20G-4 0.00000 -0.03996 -0.43681 0.00000 0.47089
|
|
81 21H 0 0.10412 0.00000 0.00000 0.12761 0.00000
|
|
82 21H+1 0.00000 0.05104 -0.18447 0.00000 -0.42858
|
|
83 21H-1 0.00000 0.01586 -0.14506 0.00000 -0.41140
|
|
84 21H+2 0.15019 0.00000 0.00000 -0.57252 0.00000
|
|
85 21H-2 0.07666 0.00000 0.00000 0.31077 0.00000
|
|
86 21H+3 0.00000 0.03614 -0.31943 0.00000 -0.00625
|
|
87 21H-3 0.00000 0.14787 -0.10886 0.00000 0.36989
|
|
88 21H+4 0.14440 0.00000 0.00000 -0.01356 0.00000
|
|
89 21H-4 0.02071 0.00000 0.00000 -0.26622 0.00000
|
|
90 21H+5 0.00000 -0.13437 0.06873 0.00000 -0.27788
|
|
91 21H-5 0.00000 -0.00129 -0.00340 0.00000 -0.07214
|
|
92 2 O 1S 0.00000 0.00355 -0.00461 0.00000 0.00533
|
|
93 2S 0.00000 0.02473 -0.00900 0.00000 0.00253
|
|
94 3S 0.00000 0.19269 -0.20581 0.00000 0.08318
|
|
95 4S 0.00000 -1.55767 1.24874 0.00000 -0.57154
|
|
96 5S 0.00000 6.66671 -0.88318 0.00000 1.27331
|
|
97 6S 0.00000 2.89278 0.31839 0.00000 -0.08428
|
|
98 7PX 0.00000 0.36717 -0.14059 0.00000 0.18651
|
|
99 7PY 0.00000 0.67319 -0.27688 0.00000 -0.03929
|
|
100 7PZ -0.00117 0.00000 0.00000 0.02469 0.00000
|
|
101 8PX 0.00000 -0.69931 0.37532 0.00000 -0.40442
|
|
102 8PY 0.00000 -1.48059 0.58020 0.00000 0.06852
|
|
103 8PZ -0.03197 0.00000 0.00000 -0.07716 0.00000
|
|
104 9PX 0.00000 1.66816 0.36171 0.00000 0.33872
|
|
105 9PY 0.00000 2.12681 -1.34258 0.00000 0.09980
|
|
106 9PZ 0.17101 0.00000 0.00000 0.12759 0.00000
|
|
107 10PX 0.00000 0.35720 -0.46749 0.00000 1.11922
|
|
108 10PY 0.00000 3.47095 0.79550 0.00000 -0.77111
|
|
109 10PZ 0.04274 0.00000 0.00000 0.50700 0.00000
|
|
110 11PX 0.00000 0.18812 0.09687 0.00000 0.05762
|
|
111 11PY 0.00000 0.28004 -0.00197 0.00000 -0.11997
|
|
112 11PZ -0.12172 0.00000 0.00000 0.00860 0.00000
|
|
113 12D 0 0.00000 0.06349 0.01245 0.00000 -0.00003
|
|
114 12D+1 0.00370 0.00000 0.00000 0.01357 0.00000
|
|
115 12D-1 0.03486 0.00000 0.00000 -0.00913 0.00000
|
|
116 12D+2 0.00000 -0.02336 -0.01275 0.00000 0.00356
|
|
117 12D-2 0.00000 -0.04512 0.01093 0.00000 0.01813
|
|
118 13D 0 0.00000 -0.00748 -0.13399 0.00000 0.10300
|
|
119 13D+1 -0.02170 0.00000 0.00000 -0.02718 0.00000
|
|
120 13D-1 0.02689 0.00000 0.00000 -0.09549 0.00000
|
|
121 13D+2 0.00000 0.15774 0.06170 0.00000 -0.02557
|
|
122 13D-2 0.00000 -0.02080 -0.15209 0.00000 0.07071
|
|
123 14D 0 0.00000 -0.32825 0.30167 0.00000 -0.32850
|
|
124 14D+1 0.17432 0.00000 0.00000 0.20147 0.00000
|
|
125 14D-1 -0.16040 0.00000 0.00000 0.29886 0.00000
|
|
126 14D+2 0.00000 -0.52573 0.03482 0.00000 -0.00753
|
|
127 14D-2 0.00000 0.14814 0.25502 0.00000 -0.17140
|
|
128 15D 0 0.00000 -0.54928 0.26771 0.00000 -0.13785
|
|
129 15D+1 -0.12461 0.00000 0.00000 0.18345 0.00000
|
|
130 15D-1 -0.08886 0.00000 0.00000 0.23751 0.00000
|
|
131 15D+2 0.00000 -0.85567 -0.43985 0.00000 0.36683
|
|
132 15D-2 0.00000 0.33795 0.59251 0.00000 -0.07475
|
|
133 16F 0 -0.02277 0.00000 0.00000 -0.04381 0.00000
|
|
134 16F+1 0.00000 0.27592 0.12841 0.00000 -0.15111
|
|
135 16F-1 0.00000 -0.14854 -0.01617 0.00000 0.05452
|
|
136 16F+2 -0.01873 0.00000 0.00000 0.09666 0.00000
|
|
137 16F-2 0.00465 0.00000 0.00000 0.18663 0.00000
|
|
138 16F+3 0.00000 -0.00513 -0.00415 0.00000 -0.00661
|
|
139 16F-3 0.00000 -0.22810 0.16432 0.00000 -0.05191
|
|
140 17F 0 -0.02380 0.00000 0.00000 -0.01498 0.00000
|
|
141 17F+1 0.00000 0.05531 0.00715 0.00000 0.03786
|
|
142 17F-1 0.00000 -0.02566 -0.00983 0.00000 -0.02808
|
|
143 17F+2 0.01862 0.00000 0.00000 0.05590 0.00000
|
|
144 17F-2 -0.01097 0.00000 0.00000 -0.02516 0.00000
|
|
145 17F+3 0.00000 -0.06447 -0.03581 0.00000 -0.02132
|
|
146 17F-3 0.00000 -0.00976 0.01021 0.00000 0.08537
|
|
147 18F 0 -0.01437 0.00000 0.00000 -0.14962 0.00000
|
|
148 18F+1 0.00000 0.42522 0.40921 0.00000 -0.26139
|
|
149 18F-1 0.00000 -0.55646 -0.13682 0.00000 0.10982
|
|
150 18F+2 0.11528 0.00000 0.00000 0.13604 0.00000
|
|
151 18F-2 -0.17360 0.00000 0.00000 0.19882 0.00000
|
|
152 18F+3 0.00000 0.04456 -0.27443 0.00000 -0.07320
|
|
153 18F-3 0.00000 -0.29794 0.53853 0.00000 -0.10780
|
|
154 19G 0 0.00000 0.11430 0.00650 0.00000 -0.02616
|
|
155 19G+1 0.02059 0.00000 0.00000 0.01852 0.00000
|
|
156 19G-1 -0.02221 0.00000 0.00000 0.00735 0.00000
|
|
157 19G+2 0.00000 -0.14840 -0.06401 0.00000 0.00327
|
|
158 19G-2 0.00000 0.00399 0.18024 0.00000 0.01036
|
|
159 19G+3 0.04779 0.00000 0.00000 -0.04091 0.00000
|
|
160 19G-3 0.01785 0.00000 0.00000 -0.07204 0.00000
|
|
161 19G+4 0.00000 0.10928 -0.03523 0.00000 0.04824
|
|
162 19G-4 0.00000 -0.02488 -0.11346 0.00000 -0.00772
|
|
163 20G 0 0.00000 -0.37670 -0.18622 0.00000 0.14477
|
|
164 20G+1 -0.04374 0.00000 0.00000 -0.06913 0.00000
|
|
165 20G-1 0.03273 0.00000 0.00000 -0.17257 0.00000
|
|
166 20G+2 0.00000 0.47586 0.16120 0.00000 -0.07686
|
|
167 20G-2 0.00000 -0.22756 -0.21540 0.00000 0.08465
|
|
168 20G+3 -0.02534 0.00000 0.00000 0.34331 0.00000
|
|
169 20G-3 -0.07057 0.00000 0.00000 0.16035 0.00000
|
|
170 20G+4 0.00000 -0.08367 0.02277 0.00000 -0.09762
|
|
171 20G-4 0.00000 -0.15439 0.26308 0.00000 0.15727
|
|
172 21H 0 0.03666 0.00000 0.00000 0.04270 0.00000
|
|
173 21H+1 0.00000 -0.54173 -0.18497 0.00000 0.15459
|
|
174 21H-1 0.00000 0.16228 0.05642 0.00000 -0.04603
|
|
175 21H+2 0.03028 0.00000 0.00000 -0.07568 0.00000
|
|
176 21H-2 0.03925 0.00000 0.00000 -0.16766 0.00000
|
|
177 21H+3 0.00000 0.29518 0.04049 0.00000 -0.00669
|
|
178 21H-3 0.00000 -0.25850 -0.20585 0.00000 0.07413
|
|
179 21H+4 -0.05106 0.00000 0.00000 0.42724 0.00000
|
|
180 21H-4 -0.03259 0.00000 0.00000 0.17907 0.00000
|
|
181 21H+5 0.00000 -0.04920 0.18201 0.00000 -0.09645
|
|
182 21H-5 0.00000 -0.20436 0.17944 0.00000 0.23499
|
|
183 3 H 1S 0.00000 0.01667 -0.02239 0.00000 -0.04679
|
|
184 2S 0.00000 0.09958 -0.08503 0.00000 0.02559
|
|
185 3S 0.00000 -0.70003 1.20126 0.00000 2.51804
|
|
186 4S 0.00000 0.06226 0.29102 0.00000 1.59739
|
|
187 5S 0.00000 -0.06535 0.02666 0.00000 -0.01900
|
|
188 6PX 0.00000 -0.05405 -0.13455 0.00000 0.06884
|
|
189 6PY 0.00000 -0.24711 -0.59704 0.00000 0.14428
|
|
190 6PZ -0.54704 0.00000 0.00000 -0.56862 0.00000
|
|
191 7PX 0.00000 0.17267 0.21951 0.00000 -0.18767
|
|
192 7PY 0.00000 0.35097 1.06273 0.00000 -0.49037
|
|
193 7PZ 0.97071 0.00000 0.00000 1.25758 0.00000
|
|
194 8PX 0.00000 -0.66455 -0.30881 0.00000 2.31895
|
|
195 8PY 0.00000 -0.53518 -3.04586 0.00000 2.28386
|
|
196 8PZ -2.86672 0.00000 0.00000 -5.18549 0.00000
|
|
197 9PX 0.00000 -0.06181 -0.00848 0.00000 0.98385
|
|
198 9PY 0.00000 -0.04274 -0.79987 0.00000 0.64524
|
|
199 9PZ -0.57432 0.00000 0.00000 -1.61592 0.00000
|
|
200 10D 0 0.00000 -0.04672 0.04122 0.00000 -0.01061
|
|
201 10D+1 0.44037 0.00000 0.00000 0.79467 0.00000
|
|
202 10D-1 -0.13523 0.00000 0.00000 -0.18670 0.00000
|
|
203 10D+2 0.00000 0.14694 0.22487 0.00000 -0.31301
|
|
204 10D-2 0.00000 0.08556 0.37026 0.00000 -0.40840
|
|
205 11D 0 0.00000 0.08034 -0.09970 0.00000 -0.09930
|
|
206 11D+1 -1.13763 0.00000 0.00000 -2.21140 0.00000
|
|
207 11D-1 0.34136 0.00000 0.00000 0.61723 0.00000
|
|
208 11D+2 0.00000 -0.23266 -0.55500 0.00000 1.01252
|
|
209 11D-2 0.00000 -0.11982 -0.94266 0.00000 1.09379
|
|
210 12D 0 0.00000 0.09398 -0.35707 0.00000 -0.02422
|
|
211 12D+1 -1.25269 0.00000 0.00000 -2.47099 0.00000
|
|
212 12D-1 0.35122 0.00000 0.00000 0.47732 0.00000
|
|
213 12D+2 0.00000 -0.29889 -0.71442 0.00000 0.99617
|
|
214 12D-2 0.00000 -0.19581 -1.11731 0.00000 0.94454
|
|
215 13F 0 0.12193 0.00000 0.00000 0.20451 0.00000
|
|
216 13F+1 0.00000 -0.01716 0.02118 0.00000 -0.07945
|
|
217 13F-1 0.00000 -0.02744 0.02365 0.00000 -0.04995
|
|
218 13F+2 -0.05173 0.00000 0.00000 -0.18278 0.00000
|
|
219 13F-2 0.04542 0.00000 0.00000 0.17255 0.00000
|
|
220 13F+3 0.00000 0.09089 -0.07149 0.00000 0.24353
|
|
221 13F-3 0.00000 0.04813 -0.04000 0.00000 0.11949
|
|
222 14F 0 0.41452 0.00000 0.00000 0.84429 0.00000
|
|
223 14F+1 0.00000 0.07651 -0.12260 0.00000 0.01606
|
|
224 14F-1 0.00000 0.07780 0.16461 0.00000 -0.17956
|
|
225 14F+2 -0.58858 0.00000 0.00000 -0.98460 0.00000
|
|
226 14F-2 0.36089 0.00000 0.00000 0.47704 0.00000
|
|
227 14F+3 0.00000 -0.20980 -0.53097 0.00000 0.64172
|
|
228 14F-3 0.00000 -0.08500 -0.41639 0.00000 0.48389
|
|
229 15G 0 0.00000 0.00278 0.04359 0.00000 0.00987
|
|
230 15G+1 0.25732 0.00000 0.00000 0.46563 0.00000
|
|
231 15G-1 -0.08655 0.00000 0.00000 -0.14044 0.00000
|
|
232 15G+2 0.00000 0.02418 0.00783 0.00000 -0.08596
|
|
233 15G-2 0.00000 0.02903 0.06527 0.00000 -0.11252
|
|
234 15G+3 -0.19082 0.00000 0.00000 -0.26822 0.00000
|
|
235 15G-3 0.20185 0.00000 0.00000 0.29506 0.00000
|
|
236 15G+4 0.00000 0.00194 -0.24948 0.00000 0.41574
|
|
237 15G-4 0.00000 0.00522 -0.06754 0.00000 0.12078
|
|
238 4 H 1S 0.00000 -0.11258 -0.19108 0.00000 0.05128
|
|
239 2S 0.00000 1.33609 1.67965 0.00000 -0.11293
|
|
240 3S 0.00000 -2.44732 -0.79908 0.00000 -1.43194
|
|
241 4S 0.00000 -0.86052 -0.12767 0.00000 0.03753
|
|
242 5S 0.00000 -0.02362 -0.11174 0.00000 -0.08473
|
|
243 6PX 0.00000 -0.31265 -0.04175 0.00000 0.00433
|
|
244 6PY 0.00000 -0.60989 0.26968 0.00000 0.01448
|
|
245 6PZ -0.08236 0.00000 0.00000 -0.02348 0.00000
|
|
246 7PX 0.00000 -0.20091 -0.71384 0.00000 0.00752
|
|
247 7PY 0.00000 1.15281 -0.19646 0.00000 0.01195
|
|
248 7PZ 0.10248 0.00000 0.00000 0.05963 0.00000
|
|
249 8PX 0.00000 1.50488 1.09384 0.00000 0.55390
|
|
250 8PY 0.00000 -1.61038 -0.35018 0.00000 -0.04906
|
|
251 8PZ -0.31306 0.00000 0.00000 -0.32086 0.00000
|
|
252 9PX 0.00000 0.56060 0.39882 0.00000 0.09787
|
|
253 9PY 0.00000 -0.49757 -0.09832 0.00000 0.12054
|
|
254 9PZ -0.05177 0.00000 0.00000 -0.04204 0.00000
|
|
255 10D 0 0.00000 -0.08259 -0.20664 0.00000 -0.03367
|
|
256 10D+1 -0.02902 0.00000 0.00000 -0.02549 0.00000
|
|
257 10D-1 -0.04791 0.00000 0.00000 0.07640 0.00000
|
|
258 10D+2 0.00000 0.20872 0.30473 0.00000 -0.08707
|
|
259 10D-2 0.00000 -0.29699 -0.06349 0.00000 -0.03666
|
|
260 11D 0 0.00000 -0.18764 0.24078 0.00000 0.19834
|
|
261 11D+1 0.16779 0.00000 0.00000 0.02666 0.00000
|
|
262 11D-1 0.10511 0.00000 0.00000 -0.38708 0.00000
|
|
263 11D+2 0.00000 -0.50467 -0.25841 0.00000 0.13574
|
|
264 11D-2 0.00000 0.41904 0.22944 0.00000 -0.07082
|
|
265 12D 0 0.00000 0.24158 0.22715 0.00000 0.02779
|
|
266 12D+1 0.06972 0.00000 0.00000 0.09668 0.00000
|
|
267 12D-1 -0.15695 0.00000 0.00000 -0.16292 0.00000
|
|
268 12D+2 0.00000 -0.05450 -0.53730 0.00000 -0.08333
|
|
269 12D-2 0.00000 0.87066 0.27166 0.00000 -0.05687
|
|
270 13F 0 -0.01131 0.00000 0.00000 0.02484 0.00000
|
|
271 13F+1 0.00000 0.30293 0.07650 0.00000 -0.11368
|
|
272 13F-1 0.00000 -0.16592 0.01215 0.00000 0.03346
|
|
273 13F+2 -0.09696 0.00000 0.00000 0.15664 0.00000
|
|
274 13F-2 -0.02169 0.00000 0.00000 0.23035 0.00000
|
|
275 13F+3 0.00000 0.22548 -0.11846 0.00000 -0.04570
|
|
276 13F-3 0.00000 -0.02792 -0.01607 0.00000 0.13912
|
|
277 14F 0 0.08425 0.00000 0.00000 0.03739 0.00000
|
|
278 14F+1 0.00000 0.17974 -0.12089 0.00000 -0.06226
|
|
279 14F-1 0.00000 0.06422 -0.00243 0.00000 0.00953
|
|
280 14F+2 0.00899 0.00000 0.00000 0.07813 0.00000
|
|
281 14F-2 0.00157 0.00000 0.00000 0.24840 0.00000
|
|
282 14F+3 0.00000 -0.11677 0.25038 0.00000 -0.12388
|
|
283 14F-3 0.00000 -0.39181 -0.11874 0.00000 0.08214
|
|
284 15G 0 0.00000 0.32073 0.04311 0.00000 -0.09620
|
|
285 15G+1 -0.02062 0.00000 0.00000 0.00896 0.00000
|
|
286 15G-1 0.00583 0.00000 0.00000 0.12291 0.00000
|
|
287 15G+2 0.00000 -0.25966 -0.04045 0.00000 0.05358
|
|
288 15G-2 0.00000 0.20134 0.04112 0.00000 -0.04436
|
|
289 15G+3 0.04750 0.00000 0.00000 -0.27344 0.00000
|
|
290 15G-3 0.02300 0.00000 0.00000 -0.24777 0.00000
|
|
291 15G+4 0.00000 -0.08599 -0.02725 0.00000 0.10895
|
|
292 15G-4 0.00000 0.16613 0.00351 0.00000 -0.21741
|
|
293 5 H 1S -0.00217 0.05498 -0.00451 0.06733 0.02598
|
|
294 2S 0.12103 -0.08682 -0.01067 -0.02051 0.03828
|
|
295 3S -1.67972 -1.59912 0.59051 -3.72185 -2.32153
|
|
296 4S -1.22208 -0.50630 0.09275 -1.92622 -1.35461
|
|
297 5S -0.00690 0.07927 0.04686 0.01688 0.00645
|
|
298 6PX -0.10999 -0.19167 0.14379 0.28273 -0.41976
|
|
299 6PY 0.76954 -0.06471 -0.75179 -0.11643 -0.03943
|
|
300 6PZ -0.32361 0.16747 0.18515 -0.04145 0.28420
|
|
301 7PX 0.16617 0.37896 -0.27570 -0.64881 0.90525
|
|
302 7PY -1.35389 0.06182 1.35614 0.30828 0.19246
|
|
303 7PZ 0.52819 -0.23949 -0.37832 0.13426 -0.64253
|
|
304 8PX -0.03019 -0.69894 0.79801 3.61251 -3.10961
|
|
305 8PY 4.16347 0.69165 -4.10845 -0.65945 -0.84984
|
|
306 8PZ -0.79123 1.26372 1.25095 0.93472 3.56769
|
|
307 9PX 0.01003 -0.09296 0.18416 1.27394 -0.84904
|
|
308 9PY 1.28340 0.27421 -1.18788 -0.16410 -0.20291
|
|
309 9PZ -0.01354 0.32439 0.43117 0.56422 1.33011
|
|
310 10D 0 -0.30685 0.11162 0.27152 -0.17673 0.59720
|
|
311 10D+1 -0.11823 -0.13763 0.19725 0.30355 -0.26828
|
|
312 10D-1 0.39008 0.05131 -0.40364 -0.18883 -0.03179
|
|
313 10D+2 -0.23116 -0.11144 0.28286 0.30800 -0.15469
|
|
314 10D-2 0.23371 -0.04575 -0.21703 0.07631 -0.27654
|
|
315 11D 0 0.77407 -0.28810 -0.74508 0.33166 -1.76024
|
|
316 11D+1 0.28300 0.27141 -0.52107 -1.03084 0.64787
|
|
317 11D-1 -1.08914 -0.26965 1.06216 0.45857 0.01005
|
|
318 11D+2 0.63436 0.30287 -0.72795 -0.87213 0.41326
|
|
319 11D-2 -0.64052 0.03286 0.59000 -0.28121 0.82448
|
|
320 12D 0 1.00711 -0.37914 -0.95491 0.36558 -1.93569
|
|
321 12D+1 0.45353 0.19106 -0.40412 -1.09606 0.80480
|
|
322 12D-1 -1.26306 -0.21329 1.25445 0.44738 0.04691
|
|
323 12D+2 0.78102 0.35398 -1.12525 -0.93928 0.54751
|
|
324 12D-2 -0.69827 -0.01888 0.56670 -0.22792 0.70789
|
|
325 13F 0 -0.08508 -0.00853 0.07637 -0.02848 0.24814
|
|
326 13F+1 -0.05358 -0.03179 0.10490 0.12666 0.08303
|
|
327 13F-1 0.09548 0.04570 -0.02871 -0.05054 0.11566
|
|
328 13F+2 -0.08699 -0.06210 0.08323 0.19449 -0.04814
|
|
329 13F-2 0.10078 0.03531 -0.05688 0.06186 -0.12591
|
|
330 13F+3 -0.08808 -0.02007 0.03898 0.04719 0.05012
|
|
331 13F-3 -0.00973 -0.02410 -0.01512 0.08065 -0.07702
|
|
332 14F 0 -0.61930 0.20499 0.51959 -0.31267 1.05535
|
|
333 14F+1 -0.46402 -0.07966 0.31955 0.18216 0.04253
|
|
334 14F-1 0.24260 0.05846 -0.30793 -0.33311 0.26459
|
|
335 14F+2 -0.64276 -0.23010 0.66812 0.62324 -0.31170
|
|
336 14F-2 0.40591 -0.05285 -0.34855 0.10241 -0.43593
|
|
337 14F+3 -0.28555 -0.08947 0.37861 0.21447 0.03624
|
|
338 14F-3 -0.01196 -0.08679 0.05613 0.20459 -0.29396
|
|
339 15G 0 0.21856 -0.08564 -0.16742 0.08116 -0.36008
|
|
340 15G+1 0.25654 0.01264 -0.17402 0.00822 -0.26633
|
|
341 15G-1 0.04291 -0.00838 -0.02946 0.11887 -0.29384
|
|
342 15G+2 0.32473 0.10051 -0.26573 -0.31129 0.09890
|
|
343 15G-2 -0.14246 0.00657 0.07445 -0.04321 0.08176
|
|
344 15G+3 0.27029 0.05669 -0.22600 -0.16108 -0.05214
|
|
345 15G-3 0.03063 0.07996 -0.03981 -0.18984 0.20131
|
|
346 15G+4 0.04676 -0.00016 -0.06409 -0.02072 -0.07626
|
|
347 15G-4 0.06573 0.04481 -0.04545 -0.07533 0.03776
|
|
348 6 H 1S 0.00217 0.05498 -0.00451 -0.06733 0.02598
|
|
349 2S -0.12103 -0.08682 -0.01067 0.02051 0.03828
|
|
350 3S 1.67972 -1.59912 0.59051 3.72185 -2.32153
|
|
351 4S 1.22208 -0.50630 0.09275 1.92622 -1.35461
|
|
352 5S 0.00690 0.07927 0.04686 -0.01688 0.00645
|
|
353 6PX 0.10999 -0.19167 0.14379 -0.28273 -0.41976
|
|
354 6PY -0.76954 -0.06471 -0.75179 0.11643 -0.03943
|
|
355 6PZ -0.32361 -0.16747 -0.18515 -0.04145 -0.28420
|
|
356 7PX -0.16617 0.37896 -0.27570 0.64881 0.90525
|
|
357 7PY 1.35389 0.06182 1.35614 -0.30828 0.19246
|
|
358 7PZ 0.52819 0.23949 0.37832 0.13426 0.64253
|
|
359 8PX 0.03019 -0.69894 0.79801 -3.61251 -3.10961
|
|
360 8PY -4.16347 0.69165 -4.10845 0.65945 -0.84984
|
|
361 8PZ -0.79123 -1.26372 -1.25095 0.93472 -3.56769
|
|
362 9PX -0.01003 -0.09296 0.18416 -1.27394 -0.84904
|
|
363 9PY -1.28340 0.27421 -1.18788 0.16410 -0.20291
|
|
364 9PZ -0.01354 -0.32439 -0.43117 0.56422 -1.33011
|
|
365 10D 0 0.30685 0.11162 0.27152 0.17673 0.59720
|
|
366 10D+1 -0.11823 0.13763 -0.19725 0.30355 0.26828
|
|
367 10D-1 0.39008 -0.05131 0.40364 -0.18883 0.03179
|
|
368 10D+2 0.23116 -0.11144 0.28286 -0.30800 -0.15469
|
|
369 10D-2 -0.23371 -0.04575 -0.21703 -0.07631 -0.27654
|
|
370 11D 0 -0.77407 -0.28810 -0.74508 -0.33166 -1.76024
|
|
371 11D+1 0.28300 -0.27141 0.52107 -1.03084 -0.64787
|
|
372 11D-1 -1.08914 0.26965 -1.06216 0.45857 -0.01005
|
|
373 11D+2 -0.63436 0.30287 -0.72795 0.87213 0.41326
|
|
374 11D-2 0.64052 0.03286 0.59000 0.28121 0.82448
|
|
375 12D 0 -1.00711 -0.37914 -0.95491 -0.36558 -1.93569
|
|
376 12D+1 0.45353 -0.19106 0.40412 -1.09606 -0.80480
|
|
377 12D-1 -1.26306 0.21329 -1.25445 0.44738 -0.04691
|
|
378 12D+2 -0.78102 0.35398 -1.12525 0.93928 0.54751
|
|
379 12D-2 0.69827 -0.01888 0.56670 0.22792 0.70789
|
|
380 13F 0 -0.08508 0.00853 -0.07637 -0.02848 -0.24814
|
|
381 13F+1 0.05358 -0.03179 0.10490 -0.12666 0.08303
|
|
382 13F-1 -0.09548 0.04570 -0.02871 0.05054 0.11566
|
|
383 13F+2 -0.08699 0.06210 -0.08323 0.19449 0.04814
|
|
384 13F-2 0.10078 -0.03531 0.05688 0.06186 0.12591
|
|
385 13F+3 0.08808 -0.02007 0.03898 -0.04719 0.05012
|
|
386 13F-3 0.00973 -0.02410 -0.01512 -0.08065 -0.07702
|
|
387 14F 0 -0.61930 -0.20499 -0.51959 -0.31267 -1.05535
|
|
388 14F+1 0.46402 -0.07966 0.31955 -0.18216 0.04253
|
|
389 14F-1 -0.24260 0.05846 -0.30793 0.33311 0.26459
|
|
390 14F+2 -0.64276 0.23010 -0.66812 0.62324 0.31170
|
|
391 14F-2 0.40591 0.05285 0.34855 0.10241 0.43593
|
|
392 14F+3 0.28555 -0.08947 0.37861 -0.21447 0.03624
|
|
393 14F-3 0.01196 -0.08679 0.05613 -0.20459 -0.29396
|
|
394 15G 0 -0.21856 -0.08564 -0.16742 -0.08116 -0.36008
|
|
395 15G+1 0.25654 -0.01264 0.17402 0.00822 0.26633
|
|
396 15G-1 0.04291 0.00838 0.02946 0.11887 0.29384
|
|
397 15G+2 -0.32473 0.10051 -0.26573 0.31129 0.09890
|
|
398 15G-2 0.14246 0.00657 0.07445 0.04321 0.08176
|
|
399 15G+3 0.27029 -0.05669 0.22600 -0.16108 0.05214
|
|
400 15G-3 0.03063 -0.07996 0.03981 -0.18984 -0.20131
|
|
401 15G+4 -0.04676 -0.00016 -0.06409 0.02072 -0.07626
|
|
402 15G-4 -0.06573 0.04481 -0.04545 0.07533 0.03776
|
|
361 362 363 364 365
|
|
V V V V V
|
|
Eigenvalues -- 17.95395 17.96760 17.99134 18.09780 18.26702
|
|
1 1 C 1S 0.00000 -0.00131 0.00000 -0.00915 0.00000
|
|
2 2S 0.00000 -0.07522 0.00000 -0.09764 0.00000
|
|
3 3S 0.00000 -0.59147 0.00000 -0.78634 0.00000
|
|
4 4S 0.00000 -0.31590 0.00000 1.51424 0.00000
|
|
5 5S 0.00000 8.75839 0.00000 3.65449 0.00000
|
|
6 6S 0.00000 0.34236 0.00000 1.00417 0.00000
|
|
7 7PX 0.00000 0.05142 0.00000 -0.03874 0.00000
|
|
8 7PY 0.00000 0.10221 0.00000 -0.16981 0.00000
|
|
9 7PZ 0.05373 0.00000 -0.04054 0.00000 0.34377
|
|
10 8PX 0.00000 -0.15408 0.00000 -0.30214 0.00000
|
|
11 8PY 0.00000 -2.13000 0.00000 -0.62902 0.00000
|
|
12 8PZ -0.01325 0.00000 -0.20514 0.00000 -1.32259
|
|
13 9PX 0.00000 -0.46816 0.00000 4.08249 0.00000
|
|
14 9PY 0.00000 11.44605 0.00000 6.37674 0.00000
|
|
15 9PZ -0.60121 0.00000 3.17497 0.00000 -0.08056
|
|
16 10PX 0.00000 0.01283 0.00000 1.10415 0.00000
|
|
17 10PY 0.00000 3.03993 0.00000 0.36576 0.00000
|
|
18 10PZ 0.66813 0.00000 1.30177 0.00000 0.47195
|
|
19 11PX 0.00000 -0.04124 0.00000 -0.00417 0.00000
|
|
20 11PY 0.00000 0.13040 0.00000 0.18290 0.00000
|
|
21 11PZ -0.07602 0.00000 0.08356 0.00000 -0.31649
|
|
22 12D 0 0.00000 0.00230 0.00000 0.38940 0.00000
|
|
23 12D+1 -0.28187 0.00000 0.31233 0.00000 -0.47200
|
|
24 12D-1 0.21374 0.00000 -0.31462 0.00000 0.28235
|
|
25 12D+2 0.00000 0.17686 0.00000 0.55573 0.00000
|
|
26 12D-2 0.00000 0.16918 0.00000 -0.05589 0.00000
|
|
27 13D 0 0.00000 -0.26561 0.00000 -0.63770 0.00000
|
|
28 13D+1 0.49538 0.00000 -0.49204 0.00000 0.37085
|
|
29 13D-1 -0.45593 0.00000 0.68289 0.00000 -0.85619
|
|
30 13D+2 0.00000 -0.62926 0.00000 -1.01081 0.00000
|
|
31 13D-2 0.00000 -0.35978 0.00000 0.08646 0.00000
|
|
32 14D 0 0.00000 1.08375 0.00000 -0.80647 0.00000
|
|
33 14D+1 2.50111 0.00000 -1.79195 0.00000 -0.99830
|
|
34 14D-1 -1.45642 0.00000 2.39739 0.00000 0.66178
|
|
35 14D+2 0.00000 0.83394 0.00000 -1.09814 0.00000
|
|
36 14D-2 0.00000 -1.77551 0.00000 1.90949 0.00000
|
|
37 15D 0 0.00000 0.48303 0.00000 -0.21628 0.00000
|
|
38 15D+1 0.75077 0.00000 -0.10023 0.00000 -0.92953
|
|
39 15D-1 -0.20520 0.00000 0.51576 0.00000 0.53029
|
|
40 15D+2 0.00000 0.21925 0.00000 0.02782 0.00000
|
|
41 15D-2 0.00000 -0.40909 0.00000 0.62845 0.00000
|
|
42 16F 0 -0.06551 0.00000 -0.01095 0.00000 0.00767
|
|
43 16F+1 0.00000 -0.02311 0.00000 0.06739 0.00000
|
|
44 16F-1 0.00000 0.09202 0.00000 0.10565 0.00000
|
|
45 16F+2 -0.06215 0.00000 0.03898 0.00000 0.00349
|
|
46 16F-2 -0.00537 0.00000 0.01786 0.00000 -0.06872
|
|
47 16F+3 0.00000 0.01506 0.00000 -0.01978 0.00000
|
|
48 16F-3 0.00000 0.13131 0.00000 0.11557 0.00000
|
|
49 17F 0 1.27436 0.00000 -0.08269 0.00000 -0.09915
|
|
50 17F+1 0.00000 0.04732 0.00000 -0.57399 0.00000
|
|
51 17F-1 0.00000 -0.13515 0.00000 0.22410 0.00000
|
|
52 17F+2 0.18867 0.00000 -1.09732 0.00000 0.27591
|
|
53 17F-2 0.03779 0.00000 0.00774 0.00000 -0.08849
|
|
54 17F+3 0.00000 0.44617 0.00000 0.28480 0.00000
|
|
55 17F-3 0.00000 0.46508 0.00000 0.61080 0.00000
|
|
56 18F 0 0.67453 0.00000 0.48498 0.00000 -0.34253
|
|
57 18F+1 0.00000 0.51087 0.00000 0.11770 0.00000
|
|
58 18F-1 0.00000 0.24013 0.00000 0.07642 0.00000
|
|
59 18F+2 -0.11470 0.00000 -0.22223 0.00000 -0.38836
|
|
60 18F-2 0.39860 0.00000 -0.58575 0.00000 -0.56466
|
|
61 18F+3 0.00000 0.00860 0.00000 -0.16236 0.00000
|
|
62 18F-3 0.00000 0.52542 0.00000 0.04960 0.00000
|
|
63 19G 0 0.00000 -0.01538 0.00000 -0.30658 0.00000
|
|
64 19G+1 -0.06447 0.00000 -0.04171 0.00000 -0.19323
|
|
65 19G-1 0.06352 0.00000 0.10164 0.00000 -0.14604
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324 12D-2 -0.25744 0.21056 -0.11556 0.27442 0.25389
|
|
325 13F 0 -0.06232 -0.02404 -0.01296 0.19964 0.10127
|
|
326 13F+1 -0.07917 0.03476 0.12353 0.21333 -0.16910
|
|
327 13F-1 0.02665 0.01568 -0.12121 -0.03132 0.11326
|
|
328 13F+2 -0.05998 0.01669 0.14399 0.20057 -0.25081
|
|
329 13F-2 0.04013 0.05576 -0.00397 -0.09948 -0.02686
|
|
330 13F+3 -0.01880 0.00003 0.02645 0.09401 -0.06137
|
|
331 13F-3 0.00641 0.03344 0.02801 0.02302 -0.10230
|
|
332 14F 0 -0.12910 0.16180 -0.05670 0.46969 -0.09677
|
|
333 14F+1 -0.12046 0.08995 0.22539 0.25741 -0.23426
|
|
334 14F-1 0.02970 -0.14292 -0.22242 -0.03164 -0.05320
|
|
335 14F+2 -0.22632 0.30417 0.37821 0.14246 0.10453
|
|
336 14F-2 0.13720 -0.15326 -0.00863 -0.15464 -0.18302
|
|
337 14F+3 -0.20065 0.20246 0.15879 0.11621 0.17095
|
|
338 14F-3 -0.01382 -0.01062 0.09360 -0.08794 0.00539
|
|
339 15G 0 0.02862 -0.05241 0.00922 -0.16647 -0.07343
|
|
340 15G+1 0.10456 -0.00849 -0.11116 -0.25886 0.15999
|
|
341 15G-1 0.03445 0.02083 0.12274 -0.06934 -0.04576
|
|
342 15G+2 0.09295 -0.08028 -0.21681 -0.17954 0.14794
|
|
343 15G-2 -0.02541 0.00626 0.02556 0.00785 0.08296
|
|
344 15G+3 0.10367 -0.11313 -0.11733 -0.14059 -0.01835
|
|
345 15G-3 0.01407 -0.02870 -0.07427 -0.00042 0.11159
|
|
346 15G+4 0.03594 -0.03220 -0.02195 -0.02962 -0.06915
|
|
347 15G-4 0.03437 -0.03355 -0.06331 -0.01581 0.01017
|
|
348 6 H 1S 0.00385 0.02621 0.01122 0.04464 -0.02713
|
|
349 2S -0.05819 0.11533 -0.25315 0.06905 0.35117
|
|
350 3S 0.74684 -4.17110 1.55645 -3.07459 -1.27543
|
|
351 4S 0.62033 -1.22936 1.04815 -1.18181 -0.30489
|
|
352 5S -0.10300 -0.01552 -0.00339 -0.08508 -0.23415
|
|
353 6PX 0.07001 0.02285 -0.03929 -0.17599 -0.68057
|
|
354 6PY 0.00585 -0.20643 -0.16752 0.43074 0.51002
|
|
355 6PZ 0.02361 -0.11582 -0.14156 0.01866 -0.20524
|
|
356 7PX -0.10924 -0.08310 0.25392 0.28316 0.93781
|
|
357 7PY 0.12555 0.40147 0.16040 -0.47120 -0.83508
|
|
358 7PZ 0.00223 0.20297 0.12151 0.12056 0.45742
|
|
359 8PX 0.19773 1.27176 -2.00892 0.16898 -0.07446
|
|
360 8PY -1.18453 -0.65259 0.44485 -0.91363 0.76550
|
|
361 8PZ -0.19955 -1.85225 0.26594 -2.57072 -0.91007
|
|
362 9PX 0.08234 0.50154 -0.66334 0.01075 -0.28302
|
|
363 9PY -0.43736 -0.04869 -0.00345 -0.17343 0.51750
|
|
364 9PZ 0.05860 -0.49089 0.24456 -0.93517 -0.27108
|
|
365 10D 0 0.11473 0.12829 -0.00517 0.31317 0.11610
|
|
366 10D+1 -0.04475 -0.10961 0.26822 -0.05126 -0.13856
|
|
367 10D-1 0.14129 0.14141 -0.16105 0.13366 -0.04068
|
|
368 10D+2 0.11829 0.14908 -0.17116 0.08104 -0.08863
|
|
369 10D-2 -0.11201 -0.08265 -0.00706 -0.12480 0.05830
|
|
370 11D 0 -0.32701 -0.33685 -0.02956 -1.09866 -0.10729
|
|
371 11D+1 0.16633 0.40057 -0.78624 0.39197 0.63701
|
|
372 11D-1 -0.40796 -0.22998 0.52288 -0.53187 -0.15321
|
|
373 11D+2 -0.31445 -0.36852 0.52900 -0.40479 -0.12711
|
|
374 11D-2 0.28236 0.09283 0.03236 0.44275 -0.16876
|
|
375 12D 0 -0.16734 -0.29097 -0.16265 -0.93457 -0.32351
|
|
376 12D+1 0.18239 0.33527 -0.56775 0.21504 -0.01796
|
|
377 12D-1 -0.27131 -0.40100 0.26507 -0.21184 0.40353
|
|
378 12D+2 -0.38392 -0.42846 0.51262 -0.04909 0.40543
|
|
379 12D-2 0.25744 0.21056 0.11556 0.27442 -0.25389
|
|
380 13F 0 -0.06232 0.02404 -0.01296 -0.19964 0.10127
|
|
381 13F+1 0.07917 0.03476 -0.12353 0.21333 0.16910
|
|
382 13F-1 -0.02665 0.01568 0.12121 -0.03132 -0.11326
|
|
383 13F+2 -0.05998 -0.01669 0.14399 -0.20057 -0.25081
|
|
384 13F-2 0.04013 -0.05576 -0.00397 0.09948 -0.02686
|
|
385 13F+3 0.01880 0.00003 -0.02645 0.09401 0.06137
|
|
386 13F-3 -0.00641 0.03344 -0.02801 0.02302 0.10230
|
|
387 14F 0 -0.12910 -0.16180 -0.05670 -0.46969 -0.09677
|
|
388 14F+1 0.12046 0.08995 -0.22539 0.25741 0.23426
|
|
389 14F-1 -0.02970 -0.14292 0.22242 -0.03164 0.05320
|
|
390 14F+2 -0.22632 -0.30417 0.37821 -0.14246 0.10453
|
|
391 14F-2 0.13720 0.15326 -0.00863 0.15464 -0.18302
|
|
392 14F+3 0.20065 0.20246 -0.15879 0.11621 -0.17095
|
|
393 14F-3 0.01382 -0.01062 -0.09360 -0.08794 -0.00539
|
|
394 15G 0 -0.02862 -0.05241 -0.00922 -0.16647 0.07343
|
|
395 15G+1 0.10456 0.00849 -0.11116 0.25886 0.15999
|
|
396 15G-1 0.03445 -0.02083 0.12274 0.06934 -0.04576
|
|
397 15G+2 -0.09295 -0.08028 0.21681 -0.17954 -0.14794
|
|
398 15G-2 0.02541 0.00626 -0.02556 0.00785 -0.08296
|
|
399 15G+3 0.10367 0.11313 -0.11733 0.14059 -0.01835
|
|
400 15G-3 0.01407 0.02870 -0.07427 0.00042 0.11159
|
|
401 15G+4 -0.03594 -0.03220 0.02195 -0.02962 0.06915
|
|
402 15G-4 -0.03437 -0.03355 0.06331 -0.01581 -0.01017
|
|
366 367 368 369 370
|
|
V V V V V
|
|
Eigenvalues -- 18.30190 18.33663 18.45132 18.51406 18.62923
|
|
1 1 C 1S 0.00032 0.02026 0.00000 -0.01062 0.00000
|
|
2 2S -0.02616 0.11239 0.00000 -0.07655 0.00000
|
|
3 3S -0.24356 1.12057 0.00000 -0.72624 0.00000
|
|
4 4S 0.67029 -3.44299 0.00000 1.33322 0.00000
|
|
5 5S 0.42705 -2.63906 0.00000 4.55542 0.00000
|
|
6 6S -0.01632 -0.70048 0.00000 0.61937 0.00000
|
|
7 7PX -0.33388 -0.14985 0.00000 -0.07857 0.00000
|
|
8 7PY 0.00296 0.13025 0.00000 -0.14631 0.00000
|
|
9 7PZ 0.00000 0.00000 -0.33491 0.00000 -0.23048
|
|
10 8PX 0.99721 -0.72905 0.00000 -0.31014 0.00000
|
|
11 8PY -0.33980 0.40221 0.00000 0.00280 0.00000
|
|
12 8PZ 0.00000 0.00000 -0.15854 0.00000 0.53268
|
|
13 9PX 2.40875 9.14441 0.00000 2.17505 0.00000
|
|
14 9PY 2.21576 -5.03289 0.00000 3.37976 0.00000
|
|
15 9PZ 0.00000 0.00000 10.25784 0.00000 3.89303
|
|
16 10PX 0.29833 2.15941 0.00000 0.57197 0.00000
|
|
17 10PY 0.42115 -0.68144 0.00000 1.00433 0.00000
|
|
18 10PZ 0.00000 0.00000 2.82404 0.00000 1.55804
|
|
19 11PX 0.38903 0.15830 0.00000 0.00261 0.00000
|
|
20 11PY 0.05590 -0.12542 0.00000 0.06937 0.00000
|
|
21 11PZ 0.00000 0.00000 0.19742 0.00000 0.11215
|
|
22 12D 0 0.44668 0.01476 0.00000 0.02451 0.00000
|
|
23 12D+1 0.00000 0.00000 0.11193 0.00000 0.02541
|
|
24 12D-1 0.00000 0.00000 0.21217 0.00000 -0.05797
|
|
25 12D+2 -0.15412 -0.33276 0.00000 0.03551 0.00000
|
|
26 12D-2 -0.34336 -0.03617 0.00000 0.36304 0.00000
|
|
27 13D 0 -0.39912 0.03869 0.00000 0.00802 0.00000
|
|
28 13D+1 0.00000 0.00000 0.17233 0.00000 0.27033
|
|
29 13D-1 0.00000 0.00000 0.05843 0.00000 0.42311
|
|
30 13D+2 -0.08435 0.40106 0.00000 0.10595 0.00000
|
|
31 13D-2 0.90622 0.14860 0.00000 -0.64763 0.00000
|
|
32 14D 0 1.30779 -0.30094 0.00000 0.47835 0.00000
|
|
33 14D+1 0.00000 0.00000 0.69903 0.00000 0.69198
|
|
34 14D-1 0.00000 0.00000 0.66602 0.00000 0.72667
|
|
35 14D+2 0.04165 -0.06659 0.00000 -0.19692 0.00000
|
|
36 14D-2 -0.26612 1.70362 0.00000 -1.48918 0.00000
|
|
37 15D 0 0.98399 -0.09983 0.00000 0.21450 0.00000
|
|
38 15D+1 0.00000 0.00000 0.29635 0.00000 0.28567
|
|
39 15D-1 0.00000 0.00000 0.41331 0.00000 0.22893
|
|
40 15D+2 -0.33500 -0.25886 0.00000 0.04564 0.00000
|
|
41 15D-2 -0.48149 0.84322 0.00000 -0.27480 0.00000
|
|
42 16F 0 0.00000 0.00000 -0.03809 0.00000 0.16015
|
|
43 16F+1 -0.00483 -0.14739 0.00000 0.07534 0.00000
|
|
44 16F-1 0.09974 -0.03145 0.00000 0.09191 0.00000
|
|
45 16F+2 0.00000 0.00000 0.00341 0.00000 -0.08847
|
|
46 16F-2 0.00000 0.00000 0.20960 0.00000 0.10324
|
|
47 16F+3 0.00908 0.04156 0.00000 -0.13239 0.00000
|
|
48 16F-3 0.00245 -0.15059 0.00000 -0.04767 0.00000
|
|
49 17F 0 0.00000 0.00000 1.52969 0.00000 -2.33375
|
|
50 17F+1 0.03381 0.62384 0.00000 0.46112 0.00000
|
|
51 17F-1 -0.06866 -1.00709 0.00000 -0.83808 0.00000
|
|
52 17F+2 0.00000 0.00000 1.20548 0.00000 2.01389
|
|
53 17F-2 0.00000 0.00000 -1.41195 0.00000 0.15409
|
|
54 17F+3 -0.02174 1.00706 0.00000 1.39903 0.00000
|
|
55 17F-3 -0.02630 0.59020 0.00000 1.43297 0.00000
|
|
56 18F 0 0.00000 0.00000 0.17850 0.00000 -0.22656
|
|
57 18F+1 0.24027 0.11564 0.00000 0.17445 0.00000
|
|
58 18F-1 0.29858 -0.21576 0.00000 0.26296 0.00000
|
|
59 18F+2 0.00000 0.00000 -0.13099 0.00000 0.22467
|
|
60 18F-2 0.00000 0.00000 -0.01391 0.00000 0.18302
|
|
61 18F+3 0.62734 0.12363 0.00000 -0.05008 0.00000
|
|
62 18F-3 -0.23450 0.28289 0.00000 0.18727 0.00000
|
|
63 19G 0 -0.41881 -0.10490 0.00000 -0.09625 0.00000
|
|
64 19G+1 0.00000 0.00000 0.76354 0.00000 0.18931
|
|
65 19G-1 0.00000 0.00000 0.23143 0.00000 -0.47711
|
|
66 19G+2 0.11874 0.67243 0.00000 0.37395 0.00000
|
|
67 19G-2 0.09725 -0.10442 0.00000 0.18713 0.00000
|
|
68 19G+3 0.00000 0.00000 0.19469 0.00000 -0.14242
|
|
69 19G-3 0.00000 0.00000 0.03619 0.00000 0.63442
|
|
70 19G+4 -0.01251 -0.03871 0.00000 -0.41660 0.00000
|
|
71 19G-4 0.08519 0.11700 0.00000 -0.08815 0.00000
|
|
72 20G 0 -0.89506 -0.21781 0.00000 0.00735 0.00000
|
|
73 20G+1 0.00000 0.00000 1.50406 0.00000 0.35122
|
|
74 20G-1 0.00000 0.00000 0.78249 0.00000 -0.87350
|
|
75 20G+2 0.17275 1.52749 0.00000 0.59511 0.00000
|
|
76 20G-2 0.06537 -0.00628 0.00000 0.30892 0.00000
|
|
77 20G+3 0.00000 0.00000 0.43367 0.00000 -0.32237
|
|
78 20G-3 0.00000 0.00000 0.23226 0.00000 1.11652
|
|
79 20G+4 0.06113 -0.07446 0.00000 -0.92782 0.00000
|
|
80 20G-4 -0.13172 0.48623 0.00000 -0.15889 0.00000
|
|
81 21H 0 0.00000 0.00000 0.23315 0.00000 0.31757
|
|
82 21H+1 -0.38492 0.17814 0.00000 0.08162 0.00000
|
|
83 21H-1 -0.51523 -0.17880 0.00000 -0.06380 0.00000
|
|
84 21H+2 0.00000 0.00000 0.26730 0.00000 0.13911
|
|
85 21H-2 0.00000 0.00000 0.39395 0.00000 0.09044
|
|
86 21H+3 0.01371 0.40690 0.00000 -0.10102 0.00000
|
|
87 21H-3 0.31881 0.42037 0.00000 0.11396 0.00000
|
|
88 21H+4 0.00000 0.00000 0.39035 0.00000 -0.31612
|
|
89 21H-4 0.00000 0.00000 -0.12827 0.00000 -0.17493
|
|
90 21H+5 -0.13938 -0.05281 0.00000 0.48721 0.00000
|
|
91 21H-5 0.10013 -0.01651 0.00000 0.02873 0.00000
|
|
92 2 O 1S 0.00337 -0.00895 0.00000 0.00631 0.00000
|
|
93 2S 0.00892 -0.01310 0.00000 0.06062 0.00000
|
|
94 3S 0.09696 -0.14131 0.00000 0.39333 0.00000
|
|
95 4S -0.44476 0.98034 0.00000 -1.09099 0.00000
|
|
96 5S 0.34332 -4.17659 0.00000 2.95690 0.00000
|
|
97 6S -0.68720 -2.44101 0.00000 2.07563 0.00000
|
|
98 7PX 0.09942 -0.37878 0.00000 0.58739 0.00000
|
|
99 7PY 0.15143 0.11874 0.00000 -0.18172 0.00000
|
|
100 7PZ 0.00000 0.00000 -0.08766 0.00000 0.04286
|
|
101 8PX -0.18687 0.75459 0.00000 -1.14666 0.00000
|
|
102 8PY -0.37359 -0.17889 0.00000 0.30437 0.00000
|
|
103 8PZ 0.00000 0.00000 0.21111 0.00000 -0.11426
|
|
104 9PX -0.08304 -1.25622 0.00000 1.48468 0.00000
|
|
105 9PY 0.76714 -0.03015 0.00000 -0.16279 0.00000
|
|
106 9PZ 0.00000 0.00000 -0.31600 0.00000 0.19781
|
|
107 10PX -0.67229 -1.68153 0.00000 0.56276 0.00000
|
|
108 10PY 0.94930 -1.21379 0.00000 0.82926 0.00000
|
|
109 10PZ 0.00000 0.00000 -1.00913 0.00000 -0.04105
|
|
110 11PX -0.38696 -0.19258 0.00000 0.20441 0.00000
|
|
111 11PY 0.09026 -0.15771 0.00000 0.02981 0.00000
|
|
112 11PZ 0.00000 0.00000 -0.08054 0.00000 -0.04484
|
|
113 12D 0 0.02186 -0.04153 0.00000 0.03205 0.00000
|
|
114 12D+1 0.00000 0.00000 0.00409 0.00000 0.00961
|
|
115 12D-1 0.00000 0.00000 0.01382 0.00000 0.02526
|
|
116 12D+2 -0.01358 0.07062 0.00000 -0.04572 0.00000
|
|
117 12D-2 0.00330 -0.03252 0.00000 0.02354 0.00000
|
|
118 13D 0 0.03274 -0.08506 0.00000 0.06156 0.00000
|
|
119 13D+1 0.00000 0.00000 -0.00271 0.00000 -0.04454
|
|
120 13D-1 0.00000 0.00000 0.09727 0.00000 0.02170
|
|
121 13D+2 0.00689 -0.03222 0.00000 -0.09138 0.00000
|
|
122 13D-2 -0.01427 -0.04796 0.00000 0.03479 0.00000
|
|
123 14D 0 -0.07406 0.41623 0.00000 -0.01788 0.00000
|
|
124 14D+1 0.00000 0.00000 -0.07545 0.00000 0.16675
|
|
125 14D-1 0.00000 0.00000 -0.40781 0.00000 -0.13603
|
|
126 14D+2 -0.31223 0.22822 0.00000 0.15960 0.00000
|
|
127 14D-2 0.19078 0.06989 0.00000 0.34500 0.00000
|
|
128 15D 0 0.02527 0.51417 0.00000 -0.23300 0.00000
|
|
129 15D+1 0.00000 0.00000 -0.18694 0.00000 0.11774
|
|
130 15D-1 0.00000 0.00000 -0.56213 0.00000 -0.33587
|
|
131 15D+2 -0.28449 -0.06261 0.00000 -0.08386 0.00000
|
|
132 15D-2 0.18718 -0.42212 0.00000 -0.22789 0.00000
|
|
133 16F 0 0.00000 0.00000 0.01662 0.00000 -0.08786
|
|
134 16F+1 -0.04735 0.10294 0.00000 -0.32617 0.00000
|
|
135 16F-1 -0.10445 -0.06934 0.00000 0.19039 0.00000
|
|
136 16F+2 0.00000 0.00000 0.01599 0.00000 0.04950
|
|
137 16F-2 0.00000 0.00000 -0.10567 0.00000 0.02262
|
|
138 16F+3 -0.00104 0.09389 0.00000 0.07642 0.00000
|
|
139 16F-3 -0.01475 0.06384 0.00000 -0.09841 0.00000
|
|
140 17F 0 0.00000 0.00000 0.00393 0.00000 0.03116
|
|
141 17F+1 0.06449 -0.16128 0.00000 0.36538 0.00000
|
|
142 17F-1 0.03172 0.07865 0.00000 -0.19232 0.00000
|
|
143 17F+2 0.00000 0.00000 -0.01400 0.00000 -0.01327
|
|
144 17F-2 0.00000 0.00000 0.02128 0.00000 -0.02712
|
|
145 17F+3 -0.06151 0.11346 0.00000 -0.12580 0.00000
|
|
146 17F-3 0.00212 -0.15357 0.00000 0.35572 0.00000
|
|
147 18F 0 0.00000 0.00000 0.32868 0.00000 -0.11300
|
|
148 18F+1 0.07332 0.08575 0.00000 0.02774 0.00000
|
|
149 18F-1 -0.15755 0.17201 0.00000 -0.02623 0.00000
|
|
150 18F+2 0.00000 0.00000 0.14417 0.00000 0.22469
|
|
151 18F-2 0.00000 0.00000 -0.00874 0.00000 -0.24796
|
|
152 18F+3 0.05441 0.24273 0.00000 0.17583 0.00000
|
|
153 18F-3 -0.00843 -0.18506 0.00000 0.10977 0.00000
|
|
154 19G 0 0.06715 -0.14120 0.00000 0.13734 0.00000
|
|
155 19G+1 0.00000 0.00000 -0.04323 0.00000 -0.01486
|
|
156 19G-1 0.00000 0.00000 -0.01342 0.00000 -0.15825
|
|
157 19G+2 0.03126 0.07547 0.00000 -0.22675 0.00000
|
|
158 19G-2 -0.02259 0.04672 0.00000 0.12996 0.00000
|
|
159 19G+3 0.00000 0.00000 -0.09479 0.00000 0.06730
|
|
160 19G-3 0.00000 0.00000 0.04204 0.00000 0.10651
|
|
161 19G+4 -0.02348 -0.09206 0.00000 0.05844 0.00000
|
|
162 19G-4 0.01286 0.03549 0.00000 -0.19932 0.00000
|
|
163 20G 0 -0.06009 0.10503 0.00000 -0.19549 0.00000
|
|
164 20G+1 0.00000 0.00000 0.00731 0.00000 -0.07630
|
|
165 20G-1 0.00000 0.00000 0.17059 0.00000 0.11702
|
|
166 20G+2 0.04030 -0.22107 0.00000 0.23910 0.00000
|
|
167 20G-2 -0.03353 0.06646 0.00000 -0.19760 0.00000
|
|
168 20G+3 0.00000 0.00000 -0.10940 0.00000 0.00968
|
|
169 20G-3 0.00000 0.00000 -0.05171 0.00000 -0.11055
|
|
170 20G+4 0.03451 0.29319 0.00000 -0.02981 0.00000
|
|
171 20G-4 -0.03449 -0.43226 0.00000 0.52146 0.00000
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|
172 21H 0 0.00000 0.00000 -0.03513 0.00000 0.01986
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173 21H+1 -0.04160 0.10053 0.00000 -0.13682 0.00000
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174 21H-1 -0.01467 -0.02123 0.00000 0.05616 0.00000
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175 21H+2 0.00000 0.00000 -0.03258 0.00000 -0.05938
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176 21H-2 0.00000 0.00000 0.07483 0.00000 0.03705
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177 21H+3 0.05362 -0.19472 0.00000 0.09638 0.00000
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178 21H-3 -0.03847 0.12483 0.00000 -0.15600 0.00000
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179 21H+4 0.00000 0.00000 -0.20051 0.00000 0.01477
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180 21H-4 0.00000 0.00000 -0.08381 0.00000 -0.09082
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181 21H+5 0.08940 0.16687 0.00000 -0.08668 0.00000
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182 21H-5 -0.00246 -0.47593 0.00000 0.38192 0.00000
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183 3 H 1S 0.01614 -0.06360 0.00000 -0.04088 0.00000
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184 2S -0.33847 -0.21245 0.00000 0.60723 0.00000
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185 3S 2.22253 6.51791 0.00000 -1.70911 0.00000
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186 4S 0.92632 2.99377 0.00000 -0.52124 0.00000
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187 5S 0.25500 0.07632 0.00000 -0.04009 0.00000
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188 6PX -0.05927 0.27037 0.00000 0.32855 0.00000
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189 6PY -0.52132 0.18195 0.00000 0.79762 0.00000
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190 6PZ 0.00000 0.00000 0.32656 0.00000 0.93127
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191 7PX -0.07052 -0.47502 0.00000 -0.16431 0.00000
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192 7PY 0.88243 -0.20160 0.00000 -1.02647 0.00000
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193 7PZ 0.00000 0.00000 -0.31204 0.00000 -1.16314
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194 8PX 1.21329 3.92112 0.00000 -1.63514 0.00000
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195 8PY -1.26303 -1.06701 0.00000 -1.83621 0.00000
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196 8PZ 0.00000 0.00000 -1.69270 0.00000 -1.80717
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197 9PX 0.37513 1.69290 0.00000 -0.51815 0.00000
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198 9PY -0.68257 -0.17708 0.00000 -0.37294 0.00000
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199 9PZ 0.00000 0.00000 -0.42601 0.00000 -0.23014
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200 10D 0 0.21253 0.10971 0.00000 -0.09835 0.00000
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201 10D+1 0.00000 0.00000 0.32748 0.00000 0.48386
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202 10D-1 0.00000 0.00000 -0.04069 0.00000 -0.08237
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203 10D+2 -0.04765 -0.06114 0.00000 0.39268 0.00000
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|
204 10D-2 0.12033 0.17813 0.00000 0.33624 0.00000
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|
205 11D 0 -0.51466 -0.51037 0.00000 0.18016 0.00000
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206 11D+1 0.00000 0.00000 -1.17754 0.00000 -1.91202
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207 11D-1 0.00000 0.00000 0.23973 0.00000 0.31298
|
|
208 11D+2 0.31003 0.43692 0.00000 -1.39620 0.00000
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209 11D-2 -0.08177 -0.59296 0.00000 -1.50536 0.00000
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210 12D 0 -0.34683 -0.49463 0.00000 0.08482 0.00000
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211 12D+1 0.00000 0.00000 -0.72051 0.00000 -0.52661
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|
212 12D-1 0.00000 0.00000 0.15269 0.00000 0.09958
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|
213 12D+2 0.05391 0.82790 0.00000 -0.64257 0.00000
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214 12D-2 -0.69064 -0.28297 0.00000 -0.58223 0.00000
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|
215 13F 0 0.00000 0.00000 0.13428 0.00000 0.32416
|
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216 13F+1 -0.11654 -0.16230 0.00000 0.02288 0.00000
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|
217 13F-1 -0.05532 0.01335 0.00000 0.13401 0.00000
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218 13F+2 0.00000 0.00000 -0.20037 0.00000 -0.39918
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|
219 13F-2 0.00000 0.00000 0.12447 0.00000 0.09841
|
|
220 13F+3 0.15308 0.03338 0.00000 -0.41924 0.00000
|
|
221 13F-3 0.06680 -0.11933 0.00000 -0.29191 0.00000
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|
222 14F 0 0.00000 0.00000 0.37592 0.00000 0.33985
|
|
223 14F+1 -0.32839 -0.17412 0.00000 0.10397 0.00000
|
|
224 14F-1 0.14283 0.15418 0.00000 0.13847 0.00000
|
|
225 14F+2 0.00000 0.00000 -0.32164 0.00000 -0.49343
|
|
226 14F-2 0.00000 0.00000 0.10397 0.00000 0.16087
|
|
227 14F+3 -0.02992 0.12280 0.00000 -0.58826 0.00000
|
|
228 14F-3 -0.19790 -0.14729 0.00000 -0.39085 0.00000
|
|
229 15G 0 0.14201 0.10439 0.00000 -0.00011 0.00000
|
|
230 15G+1 0.00000 0.00000 0.21752 0.00000 0.32285
|
|
231 15G-1 0.00000 0.00000 -0.04940 0.00000 -0.00227
|
|
232 15G+2 -0.20021 -0.12211 0.00000 0.05147 0.00000
|
|
233 15G-2 0.03554 0.11496 0.00000 0.14580 0.00000
|
|
234 15G+3 0.00000 0.00000 -0.12521 0.00000 -0.30129
|
|
235 15G-3 0.00000 0.00000 0.08717 0.00000 0.10897
|
|
236 15G+4 0.05731 0.01000 0.00000 -0.41014 0.00000
|
|
237 15G-4 -0.04735 -0.09054 0.00000 -0.15040 0.00000
|
|
238 4 H 1S -0.00503 0.12108 0.00000 -0.23277 0.00000
|
|
239 2S -0.08591 -1.60972 0.00000 1.75563 0.00000
|
|
240 3S 1.17466 3.88790 0.00000 -3.08761 0.00000
|
|
241 4S 1.01501 1.16353 0.00000 -1.50083 0.00000
|
|
242 5S -0.03533 0.00287 0.00000 -0.00676 0.00000
|
|
243 6PX -0.04722 0.32236 0.00000 0.13988 0.00000
|
|
244 6PY -0.01669 0.21720 0.00000 -0.14020 0.00000
|
|
245 6PZ 0.00000 0.00000 0.16909 0.00000 0.12270
|
|
246 7PX 0.04109 0.32411 0.00000 -0.95231 0.00000
|
|
247 7PY -0.00630 -0.69882 0.00000 0.52578 0.00000
|
|
248 7PZ 0.00000 0.00000 -0.29336 0.00000 -0.22473
|
|
249 8PX -0.61263 -1.83074 0.00000 1.66117 0.00000
|
|
250 8PY 0.11567 1.21874 0.00000 -1.28942 0.00000
|
|
251 8PZ 0.00000 0.00000 0.44340 0.00000 -0.26707
|
|
252 9PX -0.48229 -0.69439 0.00000 0.85726 0.00000
|
|
253 9PY 0.06076 0.59790 0.00000 -0.58710 0.00000
|
|
254 9PZ 0.00000 0.00000 0.15570 0.00000 -0.04665
|
|
255 10D 0 0.02657 0.22029 0.00000 -0.08902 0.00000
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256 10D+1 0.00000 0.00000 0.03935 0.00000 0.03523
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257 10D-1 0.00000 0.00000 -0.03480 0.00000 -0.01993
|
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258 10D+2 0.05430 -0.16532 0.00000 0.06824 0.00000
|
|
259 10D-2 0.04483 0.26276 0.00000 -0.19710 0.00000
|
|
260 11D 0 -0.14066 -0.34247 0.00000 0.00663 0.00000
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|
261 11D+1 0.00000 0.00000 -0.00689 0.00000 0.16311
|
|
262 11D-1 0.00000 0.00000 0.13565 0.00000 -0.04045
|
|
263 11D+2 0.03181 0.19367 0.00000 0.19849 0.00000
|
|
264 11D-2 -0.08812 -0.11250 0.00000 0.26549 0.00000
|
|
265 12D 0 -0.12618 -0.32732 0.00000 0.43951 0.00000
|
|
266 12D+1 0.00000 0.00000 -0.21601 0.00000 0.11168
|
|
267 12D-1 0.00000 0.00000 0.20528 0.00000 0.15095
|
|
268 12D+2 0.17831 0.04422 0.00000 -0.09622 0.00000
|
|
269 12D-2 0.01230 -0.42330 0.00000 0.58867 0.00000
|
|
270 13F 0 0.00000 0.00000 0.03682 0.00000 0.06495
|
|
271 13F+1 0.03910 -0.02159 0.00000 0.09916 0.00000
|
|
272 13F-1 -0.02419 0.02466 0.00000 -0.02105 0.00000
|
|
273 13F+2 0.00000 0.00000 -0.08231 0.00000 -0.00802
|
|
274 13F-2 0.00000 0.00000 -0.08290 0.00000 0.07033
|
|
275 13F+3 -0.01364 0.07644 0.00000 -0.15889 0.00000
|
|
276 13F-3 0.01694 -0.23368 0.00000 0.13336 0.00000
|
|
277 14F 0 0.00000 0.00000 -0.09782 0.00000 -0.04604
|
|
278 14F+1 0.09173 0.07197 0.00000 0.03083 0.00000
|
|
279 14F-1 -0.03038 -0.04020 0.00000 0.07390 0.00000
|
|
280 14F+2 0.00000 0.00000 -0.03079 0.00000 -0.11985
|
|
281 14F-2 0.00000 0.00000 -0.14408 0.00000 -0.09783
|
|
282 14F+3 -0.02541 0.13425 0.00000 -0.23950 0.00000
|
|
283 14F-3 0.00571 -0.06818 0.00000 0.00626 0.00000
|
|
284 15G 0 0.04800 -0.02902 0.00000 0.08920 0.00000
|
|
285 15G+1 0.00000 0.00000 -0.01049 0.00000 0.01537
|
|
286 15G-1 0.00000 0.00000 -0.06969 0.00000 -0.02290
|
|
287 15G+2 -0.02148 0.08873 0.00000 -0.16666 0.00000
|
|
288 15G-2 0.05911 -0.06201 0.00000 0.06138 0.00000
|
|
289 15G+3 0.00000 0.00000 0.14573 0.00000 0.02218
|
|
290 15G-3 0.00000 0.00000 0.10337 0.00000 -0.03068
|
|
291 15G+4 -0.00317 -0.12667 0.00000 0.15921 0.00000
|
|
292 15G-4 -0.02162 0.37378 0.00000 -0.30243 0.00000
|
|
293 5 H 1S 0.00405 0.04860 0.03211 -0.01498 -0.00835
|
|
294 2S 0.22372 -0.36024 0.22308 0.22103 0.43524
|
|
295 3S -2.14269 -0.15851 -5.19724 -2.44898 -2.99200
|
|
296 4S -0.65671 -0.15113 -2.44443 -0.92363 -1.55016
|
|
297 5S -0.14059 0.03791 -0.04562 -0.01743 -0.02354
|
|
298 6PX 0.84893 0.28085 -0.02374 0.29769 0.62978
|
|
299 6PY 0.39679 -0.58948 -0.70403 -0.15184 -0.02377
|
|
300 6PZ -0.56667 0.14148 0.55844 0.00360 -0.30371
|
|
301 7PX -1.32495 -0.12713 -0.10304 -0.39422 -0.86330
|
|
302 7PY -0.63658 0.79499 0.82485 0.14589 -0.04822
|
|
303 7PZ 0.75267 -0.14644 -0.78301 -0.06018 0.20283
|
|
304 8PX 0.96861 -2.26054 2.32082 0.17481 -0.27745
|
|
305 8PY 0.73302 1.04928 2.50915 0.83468 0.74427
|
|
306 8PZ 0.80596 0.54792 1.49550 1.15586 2.10786
|
|
307 9PX 0.58011 -0.61500 0.83252 0.24951 0.31052
|
|
308 9PY 0.41099 -0.00685 0.64897 0.17307 0.37331
|
|
309 9PZ 0.01495 0.32349 0.94786 0.37878 0.75864
|
|
310 10D 0 0.01173 0.08102 -0.30712 0.08073 0.35798
|
|
311 10D+1 0.14711 -0.33553 0.13822 -0.08510 -0.09892
|
|
312 10D-1 0.08812 0.18157 0.31097 0.13512 0.13023
|
|
313 10D+2 0.00618 -0.31202 -0.06243 -0.12789 -0.18167
|
|
314 10D-2 -0.05728 -0.05257 0.23539 0.06814 -0.03654
|
|
315 11D 0 -0.69444 -0.20968 1.10615 -0.32883 -1.25135
|
|
316 11D+1 -0.08501 1.11228 -0.50636 0.21697 0.42911
|
|
317 11D-1 -0.20597 -0.86462 -1.22289 -0.49026 -0.42504
|
|
318 11D+2 0.16254 1.12135 0.31969 0.42862 0.65420
|
|
319 11D-2 0.41709 0.05906 -0.94548 -0.18593 0.13753
|
|
320 12D 0 0.29323 -0.52387 0.12337 -0.14487 -0.49574
|
|
321 12D+1 -0.49250 0.72012 -0.65712 -0.09270 -0.15404
|
|
322 12D-1 -0.38336 -0.27419 -0.61283 -0.17889 -0.30580
|
|
323 12D+2 -0.13471 0.50707 -0.04975 0.08321 0.14227
|
|
324 12D-2 -0.06707 0.14198 -0.50229 -0.04806 -0.14796
|
|
325 13F 0 0.37460 -0.00791 -0.36569 0.05890 0.30442
|
|
326 13F+1 0.08607 -0.16619 -0.01387 0.01098 0.02572
|
|
327 13F-1 0.14708 0.16460 0.10990 0.11611 0.10756
|
|
328 13F+2 -0.11989 -0.33230 -0.16040 -0.11115 -0.20099
|
|
329 13F-2 -0.17356 0.02827 0.25420 0.03587 -0.01644
|
|
330 13F+3 0.00963 -0.13375 -0.14690 -0.09485 -0.07819
|
|
331 13F-3 -0.11562 -0.10030 0.06481 -0.01905 -0.05064
|
|
332 14F 0 -0.17614 0.27900 -0.47284 0.08942 0.40310
|
|
333 14F+1 0.20815 -0.25475 0.01545 -0.02103 0.08527
|
|
334 14F-1 0.17679 0.21072 0.18099 0.07771 0.20395
|
|
335 14F+2 0.05109 -0.51041 -0.06032 -0.21855 -0.20255
|
|
336 14F-2 0.01113 -0.06585 0.41846 0.10433 0.03833
|
|
337 14F+3 0.09415 -0.13795 -0.12362 -0.04495 -0.16458
|
|
338 14F-3 -0.08881 -0.15205 0.03650 -0.03307 -0.08457
|
|
339 15G 0 -0.00968 -0.08881 0.32270 -0.03583 -0.24241
|
|
340 15G+1 -0.18635 0.05102 0.09647 -0.05201 -0.16952
|
|
341 15G-1 -0.19418 -0.08198 0.04519 -0.04021 -0.12622
|
|
342 15G+2 0.02115 0.30065 0.09277 0.12588 0.12027
|
|
343 15G-2 -0.01215 -0.01348 -0.22811 -0.07151 -0.04381
|
|
344 15G+3 -0.05459 0.17666 0.17008 0.10587 0.15225
|
|
345 15G-3 0.12797 0.14896 -0.05644 0.02465 0.03961
|
|
346 15G+4 -0.04584 0.00310 0.07217 0.02579 0.04354
|
|
347 15G-4 0.03305 0.07545 0.03932 0.03567 0.07819
|
|
348 6 H 1S 0.00405 0.04860 -0.03211 -0.01498 0.00835
|
|
349 2S 0.22372 -0.36024 -0.22308 0.22103 -0.43524
|
|
350 3S -2.14269 -0.15851 5.19724 -2.44898 2.99200
|
|
351 4S -0.65671 -0.15113 2.44443 -0.92363 1.55016
|
|
352 5S -0.14059 0.03791 0.04562 -0.01743 0.02354
|
|
353 6PX 0.84893 0.28085 0.02374 0.29769 -0.62978
|
|
354 6PY 0.39679 -0.58948 0.70403 -0.15184 0.02377
|
|
355 6PZ 0.56667 -0.14148 0.55844 -0.00360 -0.30371
|
|
356 7PX -1.32495 -0.12713 0.10304 -0.39422 0.86330
|
|
357 7PY -0.63658 0.79499 -0.82485 0.14589 0.04822
|
|
358 7PZ -0.75267 0.14644 -0.78301 0.06018 0.20283
|
|
359 8PX 0.96861 -2.26054 -2.32082 0.17481 0.27745
|
|
360 8PY 0.73302 1.04928 -2.50915 0.83468 -0.74427
|
|
361 8PZ -0.80596 -0.54792 1.49550 -1.15586 2.10786
|
|
362 9PX 0.58011 -0.61500 -0.83252 0.24951 -0.31052
|
|
363 9PY 0.41099 -0.00685 -0.64897 0.17307 -0.37331
|
|
364 9PZ -0.01495 -0.32349 0.94786 -0.37878 0.75864
|
|
365 10D 0 0.01173 0.08102 0.30712 0.08073 -0.35798
|
|
366 10D+1 -0.14711 0.33553 0.13822 0.08510 -0.09892
|
|
367 10D-1 -0.08812 -0.18157 0.31097 -0.13512 0.13023
|
|
368 10D+2 0.00618 -0.31202 0.06243 -0.12789 0.18167
|
|
369 10D-2 -0.05728 -0.05257 -0.23539 0.06814 0.03654
|
|
370 11D 0 -0.69444 -0.20968 -1.10615 -0.32883 1.25135
|
|
371 11D+1 0.08501 -1.11228 -0.50636 -0.21697 0.42911
|
|
372 11D-1 0.20597 0.86462 -1.22289 0.49026 -0.42504
|
|
373 11D+2 0.16254 1.12135 -0.31969 0.42862 -0.65420
|
|
374 11D-2 0.41709 0.05906 0.94548 -0.18593 -0.13753
|
|
375 12D 0 0.29323 -0.52387 -0.12337 -0.14487 0.49574
|
|
376 12D+1 0.49250 -0.72012 -0.65712 0.09270 -0.15404
|
|
377 12D-1 0.38336 0.27419 -0.61283 0.17889 -0.30580
|
|
378 12D+2 -0.13471 0.50707 0.04975 0.08321 -0.14227
|
|
379 12D-2 -0.06707 0.14198 0.50229 -0.04806 0.14796
|
|
380 13F 0 -0.37460 0.00791 -0.36569 -0.05890 0.30442
|
|
381 13F+1 0.08607 -0.16619 0.01387 0.01098 -0.02572
|
|
382 13F-1 0.14708 0.16460 -0.10990 0.11611 -0.10756
|
|
383 13F+2 0.11989 0.33230 -0.16040 0.11115 -0.20099
|
|
384 13F-2 0.17356 -0.02827 0.25420 -0.03587 -0.01644
|
|
385 13F+3 0.00963 -0.13375 0.14690 -0.09485 0.07819
|
|
386 13F-3 -0.11562 -0.10030 -0.06481 -0.01905 0.05064
|
|
387 14F 0 0.17614 -0.27900 -0.47284 -0.08942 0.40310
|
|
388 14F+1 0.20815 -0.25475 -0.01545 -0.02103 -0.08527
|
|
389 14F-1 0.17679 0.21072 -0.18099 0.07771 -0.20395
|
|
390 14F+2 -0.05109 0.51041 -0.06032 0.21855 -0.20255
|
|
391 14F-2 -0.01113 0.06585 0.41846 -0.10433 0.03833
|
|
392 14F+3 0.09415 -0.13795 0.12362 -0.04495 0.16458
|
|
393 14F-3 -0.08881 -0.15205 -0.03650 -0.03307 0.08457
|
|
394 15G 0 -0.00968 -0.08881 -0.32270 -0.03583 0.24241
|
|
395 15G+1 0.18635 -0.05102 0.09647 0.05201 -0.16952
|
|
396 15G-1 0.19418 0.08198 0.04519 0.04021 -0.12622
|
|
397 15G+2 0.02115 0.30065 -0.09277 0.12588 -0.12027
|
|
398 15G-2 -0.01215 -0.01348 0.22811 -0.07151 0.04381
|
|
399 15G+3 0.05459 -0.17666 0.17008 -0.10587 0.15225
|
|
400 15G-3 -0.12797 -0.14896 -0.05644 -0.02465 0.03961
|
|
401 15G+4 -0.04584 0.00310 -0.07217 0.02579 -0.04354
|
|
402 15G-4 0.03305 0.07545 -0.03932 0.03567 -0.07819
|
|
371 372 373 374 375
|
|
V V V V V
|
|
Eigenvalues -- 18.83551 18.87660 18.93669 18.94164 19.01455
|
|
1 1 C 1S -0.04843 0.00000 -0.02468 0.04632 0.03897
|
|
2 2S -0.33259 0.00000 -0.30523 0.29573 0.34627
|
|
3 3S -3.21808 0.00000 -2.84075 2.96740 3.33368
|
|
4 4S 9.60115 0.00000 7.21520 -9.10918 -9.38654
|
|
5 5S 6.83107 0.00000 9.20657 -7.04142 -9.43100
|
|
6 6S 1.70406 0.00000 1.66646 -1.33263 -1.41005
|
|
7 7PX -0.29623 0.00000 -0.24778 -1.21715 0.49894
|
|
8 7PY -0.35242 0.00000 -0.34340 0.21285 0.32899
|
|
9 7PZ 0.00000 1.31952 0.00000 0.00000 0.00000
|
|
10 8PX 0.82613 0.00000 1.09238 4.77657 -1.57575
|
|
11 8PY 1.12648 0.00000 2.10922 -0.64950 -0.58518
|
|
12 8PZ 0.00000 -5.05000 0.00000 0.00000 0.00000
|
|
13 9PX 4.49364 0.00000 1.34881 9.24176 -5.89821
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270 13F 0 0.00000 0.03826 0.00000 0.00000 0.00000
|
|
271 13F+1 -0.10821 0.00000 0.13040 0.06949 0.02308
|
|
272 13F-1 -0.04644 0.00000 -0.07590 -0.04433 -0.05793
|
|
273 13F+2 0.00000 0.01078 0.00000 0.00000 0.00000
|
|
274 13F-2 0.00000 0.01836 0.00000 0.00000 0.00000
|
|
275 13F+3 0.25140 0.00000 0.16177 0.01997 0.26473
|
|
276 13F-3 0.09207 0.00000 0.06306 -0.00329 0.12767
|
|
277 14F 0 0.00000 -0.04562 0.00000 0.00000 0.00000
|
|
278 14F+1 -0.20673 0.00000 0.12365 0.03184 -0.10366
|
|
279 14F-1 0.11326 0.00000 -0.12603 0.02858 -0.02013
|
|
280 14F+2 0.00000 -0.04844 0.00000 0.00000 0.00000
|
|
281 14F-2 0.00000 -0.03655 0.00000 0.00000 0.00000
|
|
282 14F+3 -0.06545 0.00000 0.19020 0.00103 0.19637
|
|
283 14F-3 -0.01022 0.00000 -0.05294 0.09976 0.21910
|
|
284 15G 0 -0.07842 0.00000 0.08859 0.06704 0.02852
|
|
285 15G+1 0.00000 -0.01098 0.00000 0.00000 0.00000
|
|
286 15G-1 0.00000 -0.02050 0.00000 0.00000 0.00000
|
|
287 15G+2 0.04440 0.00000 -0.03610 -0.09144 -0.04197
|
|
288 15G-2 -0.05705 0.00000 0.05221 0.04590 0.02097
|
|
289 15G+3 0.00000 0.03134 0.00000 0.00000 0.00000
|
|
290 15G-3 0.00000 -0.00325 0.00000 0.00000 0.00000
|
|
291 15G+4 0.00244 0.00000 -0.08037 -0.04324 -0.17088
|
|
292 15G-4 -0.04076 0.00000 0.15015 -0.05666 -0.04049
|
|
293 5 H 1S -0.11855 0.19912 -0.11719 -0.02500 0.10893
|
|
294 2S 1.77481 -3.34470 1.67747 0.40978 -2.28507
|
|
295 3S -6.76848 12.52941 -4.92449 -1.78520 9.60401
|
|
296 4S -3.11793 6.42125 -2.28678 -1.72957 4.38110
|
|
297 5S -0.08758 0.02055 -0.09554 0.11690 0.06493
|
|
298 6PX 0.15211 0.04730 -0.02943 -0.18173 0.21293
|
|
299 6PY -0.15701 0.07024 -0.16177 -0.02216 0.08462
|
|
300 6PZ 0.04551 0.17786 -0.01434 -0.00046 -0.01508
|
|
301 7PX -0.53399 0.59311 -0.29558 0.19749 0.04113
|
|
302 7PY -0.02497 0.42010 0.01632 -0.06115 0.25317
|
|
303 7PZ -0.71070 0.91312 -0.55781 -0.16188 0.79972
|
|
304 8PX 1.86161 -3.69027 1.80145 0.50334 -2.28515
|
|
305 8PY 1.54638 -2.97656 1.02062 0.55644 -2.76511
|
|
306 8PZ 4.25978 -6.82473 2.78267 0.65512 -5.08293
|
|
307 9PX 0.85086 -1.74457 0.78652 0.21282 -0.89526
|
|
308 9PY 0.62486 -1.40959 0.30819 0.31710 -1.04991
|
|
309 9PZ 1.77300 -3.01002 1.28670 0.66743 -2.21115
|
|
310 10D 0 0.34928 -0.52651 0.22352 0.03785 -0.32283
|
|
311 10D+1 0.29716 -0.65986 0.32802 0.10473 -0.36504
|
|
312 10D-1 0.31276 -0.54547 0.23687 0.08052 -0.34756
|
|
313 10D+2 0.01524 -0.10515 0.06894 -0.00731 0.01697
|
|
314 10D-2 0.13638 -0.26019 0.14371 0.08770 -0.23888
|
|
315 11D 0 -0.96679 1.50140 -0.53587 0.01278 0.84375
|
|
316 11D+1 -0.76164 1.77431 -0.86715 -0.34944 1.16769
|
|
317 11D-1 -0.97826 1.53214 -0.69319 -0.18400 1.10754
|
|
318 11D+2 0.05708 0.23714 -0.15158 -0.05995 -0.04020
|
|
319 11D-2 -0.39831 0.71554 -0.42690 -0.27660 0.74760
|
|
320 12D 0 -0.92761 1.13902 -0.58745 -0.14360 0.98584
|
|
321 12D+1 -0.87987 1.54852 -0.71870 -0.14908 0.80503
|
|
322 12D-1 -0.81026 1.28263 -0.49407 -0.10532 0.81953
|
|
323 12D+2 -0.12167 0.16566 -0.27654 0.11567 -0.09979
|
|
324 12D-2 -0.30988 0.56815 -0.35098 -0.19970 0.67474
|
|
325 13F 0 0.03841 -0.10773 -0.01231 -0.06082 0.04994
|
|
326 13F+1 0.11189 -0.30396 0.11424 0.05728 -0.22150
|
|
327 13F-1 0.18445 -0.29356 0.11538 0.01770 -0.17840
|
|
328 13F+2 -0.04700 -0.03556 0.00880 0.07054 -0.00629
|
|
329 13F-2 0.14461 -0.25857 0.14057 0.07544 -0.21014
|
|
330 13F+3 -0.04993 0.03128 -0.00580 0.00509 0.04707
|
|
331 13F-3 0.02321 -0.05558 0.03458 0.04753 -0.02561
|
|
332 14F 0 0.16701 -0.13565 0.06194 -0.01304 -0.20296
|
|
333 14F+1 0.40409 -0.74999 0.33504 0.11582 -0.36052
|
|
334 14F-1 0.46343 -0.67381 0.31953 -0.00889 -0.27753
|
|
335 14F+2 -0.01659 -0.14632 0.12959 0.00030 -0.03675
|
|
336 14F-2 0.36246 -0.53258 0.34208 0.14081 -0.47495
|
|
337 14F+3 -0.01685 0.00755 -0.02652 -0.07314 0.16119
|
|
338 14F-3 0.06922 -0.13588 0.14078 0.07490 -0.13914
|
|
339 15G 0 0.06113 -0.08242 0.06765 0.06219 -0.05615
|
|
340 15G+1 -0.11993 0.28361 -0.07036 -0.03737 0.12029
|
|
341 15G-1 -0.15701 0.29087 -0.09984 0.03302 0.07572
|
|
342 15G+2 0.05308 0.06157 -0.01705 -0.06688 0.06352
|
|
343 15G-2 -0.24654 0.39826 -0.21413 -0.08132 0.25428
|
|
344 15G+3 0.08510 -0.05336 0.04737 0.00322 -0.10646
|
|
345 15G-3 -0.08659 0.13700 -0.11484 -0.10422 0.11341
|
|
346 15G+4 0.01604 -0.01836 0.01453 0.02539 -0.04452
|
|
347 15G-4 -0.01092 0.02568 -0.02821 -0.02304 -0.02371
|
|
348 6 H 1S -0.11855 -0.19912 -0.11719 -0.02500 0.10893
|
|
349 2S 1.77481 3.34470 1.67747 0.40978 -2.28507
|
|
350 3S -6.76848 -12.52941 -4.92449 -1.78520 9.60401
|
|
351 4S -3.11793 -6.42125 -2.28678 -1.72957 4.38110
|
|
352 5S -0.08758 -0.02055 -0.09554 0.11690 0.06493
|
|
353 6PX 0.15211 -0.04730 -0.02943 -0.18173 0.21293
|
|
354 6PY -0.15701 -0.07024 -0.16177 -0.02216 0.08462
|
|
355 6PZ -0.04551 0.17786 0.01434 0.00046 0.01508
|
|
356 7PX -0.53399 -0.59311 -0.29558 0.19749 0.04113
|
|
357 7PY -0.02497 -0.42010 0.01632 -0.06115 0.25317
|
|
358 7PZ 0.71070 0.91312 0.55781 0.16188 -0.79972
|
|
359 8PX 1.86161 3.69027 1.80145 0.50334 -2.28515
|
|
360 8PY 1.54638 2.97656 1.02062 0.55644 -2.76511
|
|
361 8PZ -4.25978 -6.82473 -2.78267 -0.65512 5.08293
|
|
362 9PX 0.85086 1.74457 0.78652 0.21282 -0.89526
|
|
363 9PY 0.62486 1.40959 0.30819 0.31710 -1.04991
|
|
364 9PZ -1.77300 -3.01002 -1.28670 -0.66743 2.21115
|
|
365 10D 0 0.34928 0.52651 0.22352 0.03785 -0.32283
|
|
366 10D+1 -0.29716 -0.65986 -0.32802 -0.10473 0.36504
|
|
367 10D-1 -0.31276 -0.54547 -0.23687 -0.08052 0.34756
|
|
368 10D+2 0.01524 0.10515 0.06894 -0.00731 0.01697
|
|
369 10D-2 0.13638 0.26019 0.14371 0.08770 -0.23888
|
|
370 11D 0 -0.96679 -1.50140 -0.53587 0.01278 0.84375
|
|
371 11D+1 0.76164 1.77431 0.86715 0.34944 -1.16769
|
|
372 11D-1 0.97826 1.53214 0.69319 0.18400 -1.10754
|
|
373 11D+2 0.05708 -0.23714 -0.15158 -0.05995 -0.04020
|
|
374 11D-2 -0.39831 -0.71554 -0.42690 -0.27660 0.74760
|
|
375 12D 0 -0.92761 -1.13902 -0.58745 -0.14360 0.98584
|
|
376 12D+1 0.87987 1.54852 0.71870 0.14908 -0.80503
|
|
377 12D-1 0.81026 1.28263 0.49407 0.10532 -0.81953
|
|
378 12D+2 -0.12167 -0.16566 -0.27654 0.11567 -0.09979
|
|
379 12D-2 -0.30988 -0.56815 -0.35098 -0.19970 0.67474
|
|
380 13F 0 -0.03841 -0.10773 0.01231 0.06082 -0.04994
|
|
381 13F+1 0.11189 0.30396 0.11424 0.05728 -0.22150
|
|
382 13F-1 0.18445 0.29356 0.11538 0.01770 -0.17840
|
|
383 13F+2 0.04700 -0.03556 -0.00880 -0.07054 0.00629
|
|
384 13F-2 -0.14461 -0.25857 -0.14057 -0.07544 0.21014
|
|
385 13F+3 -0.04993 -0.03128 -0.00580 0.00509 0.04707
|
|
386 13F-3 0.02321 0.05558 0.03458 0.04753 -0.02561
|
|
387 14F 0 -0.16701 -0.13565 -0.06194 0.01304 0.20296
|
|
388 14F+1 0.40409 0.74999 0.33504 0.11582 -0.36052
|
|
389 14F-1 0.46343 0.67381 0.31953 -0.00889 -0.27753
|
|
390 14F+2 0.01659 -0.14632 -0.12959 -0.00030 0.03675
|
|
391 14F-2 -0.36246 -0.53258 -0.34208 -0.14081 0.47495
|
|
392 14F+3 -0.01685 -0.00755 -0.02652 -0.07314 0.16119
|
|
393 14F-3 0.06922 0.13588 0.14078 0.07490 -0.13914
|
|
394 15G 0 0.06113 0.08242 0.06765 0.06219 -0.05615
|
|
395 15G+1 0.11993 0.28361 0.07036 0.03737 -0.12029
|
|
396 15G-1 0.15701 0.29087 0.09984 -0.03302 -0.07572
|
|
397 15G+2 0.05308 -0.06157 -0.01705 -0.06688 0.06352
|
|
398 15G-2 -0.24654 -0.39826 -0.21413 -0.08132 0.25428
|
|
399 15G+3 -0.08510 -0.05336 -0.04737 -0.00322 0.10646
|
|
400 15G-3 0.08659 0.13700 0.11484 0.10422 -0.11341
|
|
401 15G+4 0.01604 0.01836 0.01453 0.02539 -0.04452
|
|
402 15G-4 -0.01092 -0.02568 -0.02821 -0.02304 -0.02371
|
|
376 377 378 379 380
|
|
V V V V V
|
|
Eigenvalues -- 19.04917 19.15233 19.30637 19.45623 19.54240
|
|
1 1 C 1S 0.00000 -0.04058 0.00376 0.00000 0.00450
|
|
2 2S 0.00000 -0.53065 -0.11372 0.00000 -0.16232
|
|
3 3S 0.00000 -4.98060 -1.01573 0.00000 -1.52484
|
|
4 4S 0.00000 12.88585 1.48899 0.00000 4.26050
|
|
5 5S 0.00000 15.90406 6.62581 0.00000 2.98979
|
|
6 6S 0.00000 3.00890 0.40721 0.00000 0.61545
|
|
7 7PX 0.00000 0.00697 0.22981 0.00000 0.00995
|
|
8 7PY 0.00000 -0.40565 -0.17354 0.00000 0.15927
|
|
9 7PZ -0.05741 0.00000 0.00000 -0.09269 0.00000
|
|
10 8PX 0.00000 -0.01487 -0.90785 0.00000 0.02694
|
|
11 8PY 0.00000 1.33005 1.45708 0.00000 -0.52987
|
|
12 8PZ 0.17313 0.00000 0.00000 0.40835 0.00000
|
|
13 9PX 0.00000 -1.07376 -1.39985 0.00000 -0.54624
|
|
14 9PY 0.00000 4.89019 -4.01975 0.00000 1.48410
|
|
15 9PZ 0.01711 0.00000 0.00000 0.08720 0.00000
|
|
16 10PX 0.00000 -0.29815 -0.51011 0.00000 -0.77738
|
|
17 10PY 0.00000 2.49028 -0.31792 0.00000 1.12253
|
|
18 10PZ 0.07599 0.00000 0.00000 -0.31195 0.00000
|
|
19 11PX 0.00000 0.00847 -0.02196 0.00000 -0.04310
|
|
20 11PY 0.00000 0.17092 0.07873 0.00000 0.07217
|
|
21 11PZ -0.03218 0.00000 0.00000 0.02890 0.00000
|
|
22 12D 0 0.00000 -0.14860 0.04983 0.00000 0.09269
|
|
23 12D+1 -0.09630 0.00000 0.00000 -0.05242 0.00000
|
|
24 12D-1 0.03801 0.00000 0.00000 -0.10437 0.00000
|
|
25 12D+2 0.00000 -0.16804 -0.06971 0.00000 0.16472
|
|
26 12D-2 0.00000 -0.08247 -0.03880 0.00000 0.06303
|
|
27 13D 0 0.00000 0.56796 -0.23759 0.00000 -0.23669
|
|
28 13D+1 0.23421 0.00000 0.00000 0.16119 0.00000
|
|
29 13D-1 -0.01710 0.00000 0.00000 0.14557 0.00000
|
|
30 13D+2 0.00000 0.94129 0.67955 0.00000 -0.49363
|
|
31 13D-2 0.00000 0.12508 -0.25034 0.00000 -0.06292
|
|
32 14D 0 0.00000 2.17550 -0.77171 0.00000 -0.31355
|
|
33 14D+1 -0.19559 0.00000 0.00000 0.57113 0.00000
|
|
34 14D-1 -0.31600 0.00000 0.00000 1.26066 0.00000
|
|
35 14D+2 0.00000 2.69426 -0.39520 0.00000 1.31002
|
|
36 14D-2 0.00000 0.79125 0.30673 0.00000 -0.31618
|
|
37 15D 0 0.00000 0.60244 0.17411 0.00000 -0.10562
|
|
38 15D+1 -0.12192 0.00000 0.00000 -0.05303 0.00000
|
|
39 15D-1 0.13677 0.00000 0.00000 0.49223 0.00000
|
|
40 15D+2 0.00000 0.87084 -0.02895 0.00000 0.51433
|
|
41 15D-2 0.00000 0.08667 -0.08184 0.00000 0.37916
|
|
42 16F 0 0.02682 0.00000 0.00000 0.01633 0.00000
|
|
43 16F+1 0.00000 0.64301 0.18062 0.00000 0.07598
|
|
44 16F-1 0.00000 0.40851 -0.10271 0.00000 0.16356
|
|
45 16F+2 -0.09636 0.00000 0.00000 -0.05482 0.00000
|
|
46 16F-2 0.02420 0.00000 0.00000 0.05902 0.00000
|
|
47 16F+3 0.00000 -0.29861 -0.19887 0.00000 -0.03998
|
|
48 16F-3 0.00000 0.42740 0.12115 0.00000 0.19159
|
|
49 17F 0 -0.24893 0.00000 0.00000 0.01049 0.00000
|
|
50 17F+1 0.00000 0.91388 0.06395 0.00000 0.20329
|
|
51 17F-1 0.00000 0.27710 0.48649 0.00000 -0.20892
|
|
52 17F+2 0.71808 0.00000 0.00000 0.53566 0.00000
|
|
53 17F-2 -0.12560 0.00000 0.00000 0.08049 0.00000
|
|
54 17F+3 0.00000 -0.19032 -0.09171 0.00000 0.22573
|
|
55 17F-3 0.00000 -0.18541 -0.00534 0.00000 0.30754
|
|
56 18F 0 -0.12752 0.00000 0.00000 0.28239 0.00000
|
|
57 18F+1 0.00000 0.68340 0.37490 0.00000 0.07728
|
|
58 18F-1 0.00000 -0.06982 0.22549 0.00000 -0.00205
|
|
59 18F+2 0.24476 0.00000 0.00000 0.16597 0.00000
|
|
60 18F-2 -0.16407 0.00000 0.00000 -0.12106 0.00000
|
|
61 18F+3 0.00000 -0.04959 0.11568 0.00000 0.07913
|
|
62 18F-3 0.00000 -0.15430 0.32545 0.00000 -0.27313
|
|
63 19G 0 0.00000 0.04794 0.08567 0.00000 -0.01804
|
|
64 19G+1 0.04586 0.00000 0.00000 0.04356 0.00000
|
|
65 19G-1 -0.05481 0.00000 0.00000 -0.07442 0.00000
|
|
66 19G+2 0.00000 -0.02948 -0.00629 0.00000 0.05055
|
|
67 19G-2 0.00000 0.30631 0.00482 0.00000 0.04442
|
|
68 19G+3 0.00212 0.00000 0.00000 0.00272 0.00000
|
|
69 19G-3 0.03884 0.00000 0.00000 -0.01100 0.00000
|
|
70 19G+4 0.00000 0.08236 0.17590 0.00000 0.01305
|
|
71 19G-4 0.00000 -0.09839 -0.04032 0.00000 -0.08252
|
|
72 20G 0 0.00000 -0.13471 0.10154 0.00000 0.29045
|
|
73 20G+1 0.18511 0.00000 0.00000 -0.16278 0.00000
|
|
74 20G-1 -0.37108 0.00000 0.00000 -0.37516 0.00000
|
|
75 20G+2 0.00000 -0.18914 0.40255 0.00000 0.26855
|
|
76 20G-2 0.00000 -0.60221 -0.44768 0.00000 0.04068
|
|
77 20G+3 0.47489 0.00000 0.00000 -0.31762 0.00000
|
|
78 20G-3 0.40878 0.00000 0.00000 0.04245 0.00000
|
|
79 20G+4 0.00000 0.19121 0.40276 0.00000 -0.46410
|
|
80 20G-4 0.00000 0.04271 -0.08777 0.00000 0.07747
|
|
81 21H 0 -0.03066 0.00000 0.00000 -0.02838 0.00000
|
|
82 21H+1 0.00000 0.00953 0.08270 0.00000 0.04468
|
|
83 21H-1 0.00000 0.04123 -0.08145 0.00000 -0.05594
|
|
84 21H+2 0.12771 0.00000 0.00000 -0.07405 0.00000
|
|
85 21H-2 -0.05905 0.00000 0.00000 0.05064 0.00000
|
|
86 21H+3 0.00000 -0.00549 0.04830 0.00000 0.05994
|
|
87 21H-3 0.00000 -0.02003 -0.03960 0.00000 -0.02801
|
|
88 21H+4 0.00884 0.00000 0.00000 -0.10712 0.00000
|
|
89 21H-4 -0.04387 0.00000 0.00000 0.08116 0.00000
|
|
90 21H+5 0.00000 -0.14069 -0.32152 0.00000 0.14065
|
|
91 21H-5 0.00000 -0.09526 -0.01039 0.00000 0.06544
|
|
92 2 O 1S 0.00000 0.00044 0.00450 0.00000 0.00639
|
|
93 2S 0.00000 0.04390 0.00316 0.00000 -0.06370
|
|
94 3S 0.00000 0.28574 0.20274 0.00000 -0.33081
|
|
95 4S 0.00000 -0.66032 -1.13079 0.00000 0.27872
|
|
96 5S 0.00000 -0.10132 -0.42295 0.00000 1.26638
|
|
97 6S 0.00000 0.37161 -0.42062 0.00000 -1.03616
|
|
98 7PX 0.00000 0.07931 0.57357 0.00000 -0.03505
|
|
99 7PY 0.00000 0.17602 -0.30190 0.00000 -0.08932
|
|
100 7PZ 0.04884 0.00000 0.00000 0.06061 0.00000
|
|
101 8PX 0.00000 -0.02567 -1.59219 0.00000 0.03638
|
|
102 8PY 0.00000 -0.51337 0.84719 0.00000 0.21024
|
|
103 8PZ -0.08896 0.00000 0.00000 -0.19774 0.00000
|
|
104 9PX 0.00000 -1.10579 1.60621 0.00000 -0.00828
|
|
105 9PY 0.00000 1.35412 -1.28822 0.00000 0.03759
|
|
106 9PZ 0.02780 0.00000 0.00000 0.33967 0.00000
|
|
107 10PX 0.00000 0.14686 2.20967 0.00000 0.15536
|
|
108 10PY 0.00000 0.57860 -4.04561 0.00000 -1.07497
|
|
109 10PZ 0.21355 0.00000 0.00000 1.45377 0.00000
|
|
110 11PX 0.00000 0.03168 -0.06906 0.00000 -0.08870
|
|
111 11PY 0.00000 0.18623 -0.22424 0.00000 -0.16084
|
|
112 11PZ 0.08059 0.00000 0.00000 0.14152 0.00000
|
|
113 12D 0 0.00000 0.04990 -0.03161 0.00000 -0.15164
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365 10D 0 -0.03834 0.18326 -0.01094 -0.05563 0.09458
|
|
366 10D+1 -0.04182 -0.33585 -0.01891 -0.00905 -0.02445
|
|
367 10D-1 0.07743 -0.33296 -0.05538 0.01115 -0.04584
|
|
368 10D+2 0.03724 0.00623 -0.02795 0.02953 -0.00563
|
|
369 10D-2 -0.00451 0.18095 0.01586 -0.01754 0.05017
|
|
370 11D 0 0.14001 -0.64714 0.07433 0.27782 -0.16933
|
|
371 11D+1 0.21762 1.11364 0.04091 -0.00983 0.03096
|
|
372 11D-1 -0.30252 1.01300 0.18415 -0.05805 0.18950
|
|
373 11D+2 -0.24471 -0.07065 0.10583 -0.05717 0.10127
|
|
374 11D-2 -0.00051 -0.57002 -0.08589 0.02512 -0.16087
|
|
375 12D 0 -0.06400 -0.45007 0.09129 0.04536 -0.33803
|
|
376 12D+1 0.08952 0.81660 -0.09945 -0.05081 0.10545
|
|
377 12D-1 -0.05940 0.94072 0.05067 -0.04987 0.19657
|
|
378 12D+2 -0.05421 0.07494 0.01552 -0.03825 -0.08399
|
|
379 12D-2 -0.00939 -0.50586 0.03460 0.06048 -0.03724
|
|
380 13F 0 0.02215 -0.02655 0.02238 0.04607 0.01823
|
|
381 13F+1 0.00048 0.20792 0.00176 -0.02428 0.00143
|
|
382 13F-1 -0.05621 0.16148 0.00589 -0.05232 -0.00669
|
|
383 13F+2 -0.09744 -0.03915 0.01102 0.00476 0.02536
|
|
384 13F-2 0.00710 -0.18582 -0.03399 0.01439 -0.01973
|
|
385 13F+3 0.02201 -0.02246 -0.02748 -0.00432 -0.03943
|
|
386 13F-3 0.02904 0.04568 -0.00970 -0.01521 -0.02885
|
|
387 14F 0 0.00961 0.05986 0.04262 0.05973 -0.13527
|
|
388 14F+1 0.05898 0.30094 -0.01727 -0.00316 0.06697
|
|
389 14F-1 -0.05968 0.34073 0.02777 0.00651 0.12801
|
|
390 14F+2 -0.04632 0.00461 0.03020 -0.05090 0.01582
|
|
391 14F-2 0.00001 -0.37185 -0.00770 0.02775 -0.07321
|
|
392 14F+3 0.04423 -0.06488 0.03235 0.05665 0.00889
|
|
393 14F-3 0.04017 0.03959 -0.00668 0.01349 0.08179
|
|
394 15G 0 0.00092 0.08127 0.00795 0.02447 -0.01452
|
|
395 15G+1 -0.00162 0.09358 -0.01915 -0.00824 0.03844
|
|
396 15G-1 -0.01991 0.09182 -0.00406 -0.02349 0.02356
|
|
397 15G+2 -0.03512 -0.01884 0.00344 -0.00605 0.00273
|
|
398 15G-2 0.00477 -0.22078 -0.02172 0.01921 -0.02514
|
|
399 15G+3 0.02488 -0.07215 -0.00625 0.02855 -0.01257
|
|
400 15G-3 0.02610 0.07018 -0.01147 -0.01061 0.00680
|
|
401 15G+4 0.00313 -0.00757 -0.01796 -0.00753 0.01868
|
|
402 15G-4 -0.04272 0.00494 -0.00314 -0.00708 -0.00773
|
|
381 382 383 384 385
|
|
V V V V V
|
|
Eigenvalues -- 19.67856 19.71434 19.86938 20.11607 20.20337
|
|
1 1 C 1S 0.00000 0.00147 0.00000 -0.01581 0.00000
|
|
2 2S 0.00000 -0.03791 0.00000 -0.01976 0.00000
|
|
3 3S 0.00000 -0.48652 0.00000 -0.14618 0.00000
|
|
4 4S 0.00000 2.31291 0.00000 0.17738 0.00000
|
|
5 5S 0.00000 -1.24484 0.00000 2.84288 0.00000
|
|
6 6S 0.00000 0.17131 0.00000 -0.36621 0.00000
|
|
7 7PX 0.00000 -0.05963 0.00000 -0.00757 0.00000
|
|
8 7PY 0.00000 0.09009 0.00000 -0.05280 0.00000
|
|
9 7PZ -0.10188 0.00000 0.08233 0.00000 -0.03682
|
|
10 8PX 0.00000 0.04004 0.00000 -0.14882 0.00000
|
|
11 8PY 0.00000 -0.55593 0.00000 -0.45862 0.00000
|
|
12 8PZ 0.09120 0.00000 -0.01176 0.00000 0.15029
|
|
13 9PX 0.00000 1.10313 0.00000 -0.31312 0.00000
|
|
14 9PY 0.00000 1.91204 0.00000 2.82072 0.00000
|
|
15 9PZ 2.99448 0.00000 -0.79285 0.00000 -1.05443
|
|
16 10PX 0.00000 1.26475 0.00000 -0.36326 0.00000
|
|
17 10PY 0.00000 1.35349 0.00000 2.07030 0.00000
|
|
18 10PZ 2.23397 0.00000 -0.71677 0.00000 0.18039
|
|
19 11PX 0.00000 -0.04073 0.00000 -0.08867 0.00000
|
|
20 11PY 0.00000 0.04432 0.00000 0.13916 0.00000
|
|
21 11PZ 0.06630 0.00000 -0.02300 0.00000 -0.04035
|
|
22 12D 0 0.00000 0.05365 0.00000 -0.10887 0.00000
|
|
23 12D+1 -0.04434 0.00000 0.11020 0.00000 -0.01404
|
|
24 12D-1 -0.02511 0.00000 0.13109 0.00000 -0.06660
|
|
25 12D+2 0.00000 0.09660 0.00000 -0.08574 0.00000
|
|
26 12D-2 0.00000 0.09141 0.00000 -0.05506 0.00000
|
|
27 13D 0 0.00000 -0.05790 0.00000 0.09464 0.00000
|
|
28 13D+1 0.25174 0.00000 -0.20480 0.00000 -0.00513
|
|
29 13D-1 0.31752 0.00000 -0.15646 0.00000 0.00742
|
|
30 13D+2 0.00000 -0.32517 0.00000 0.14054 0.00000
|
|
31 13D-2 0.00000 0.03117 0.00000 -0.04123 0.00000
|
|
32 14D 0 0.00000 0.16960 0.00000 0.91228 0.00000
|
|
33 14D+1 1.20656 0.00000 -0.64244 0.00000 0.23820
|
|
34 14D-1 -0.31156 0.00000 -0.11268 0.00000 -0.56602
|
|
35 14D+2 0.00000 -0.01481 0.00000 1.34657 0.00000
|
|
36 14D-2 0.00000 -1.22817 0.00000 -0.40838 0.00000
|
|
37 15D 0 0.00000 0.54272 0.00000 0.51048 0.00000
|
|
38 15D+1 0.71463 0.00000 -0.20532 0.00000 0.32739
|
|
39 15D-1 -0.35771 0.00000 0.02608 0.00000 -0.31539
|
|
40 15D+2 0.00000 -0.03463 0.00000 0.47771 0.00000
|
|
41 15D-2 0.00000 -0.36143 0.00000 -0.02254 0.00000
|
|
42 16F 0 0.10833 0.00000 0.10242 0.00000 -0.06457
|
|
43 16F+1 0.00000 0.03027 0.00000 0.00034 0.00000
|
|
44 16F-1 0.00000 0.11135 0.00000 0.03316 0.00000
|
|
45 16F+2 0.06787 0.00000 0.12100 0.00000 -0.11260
|
|
46 16F-2 0.08024 0.00000 -0.05079 0.00000 0.01150
|
|
47 16F+3 0.00000 0.04079 0.00000 -0.13393 0.00000
|
|
48 16F-3 0.00000 0.00901 0.00000 0.08119 0.00000
|
|
49 17F 0 -0.55449 0.00000 -0.43136 0.00000 0.10719
|
|
50 17F+1 0.00000 -0.23051 0.00000 0.25055 0.00000
|
|
51 17F-1 0.00000 -0.16816 0.00000 -0.09247 0.00000
|
|
52 17F+2 -0.33971 0.00000 -0.45700 0.00000 0.29651
|
|
53 17F-2 0.21377 0.00000 0.00014 0.00000 0.02864
|
|
54 17F+3 0.00000 -0.36842 0.00000 0.20486 0.00000
|
|
55 17F-3 0.00000 0.14689 0.00000 -0.35381 0.00000
|
|
56 18F 0 -0.19130 0.00000 -0.19640 0.00000 -0.05630
|
|
57 18F+1 0.00000 -0.38915 0.00000 0.39426 0.00000
|
|
58 18F-1 0.00000 -0.23133 0.00000 -0.05210 0.00000
|
|
59 18F+2 -0.22099 0.00000 -0.16610 0.00000 -0.14059
|
|
60 18F-2 -0.08981 0.00000 0.56228 0.00000 0.19688
|
|
61 18F+3 0.00000 -0.16104 0.00000 -0.03521 0.00000
|
|
62 18F-3 0.00000 -0.03418 0.00000 -0.10681 0.00000
|
|
63 19G 0 0.00000 -0.02179 0.00000 -0.05176 0.00000
|
|
64 19G+1 -0.02234 0.00000 -0.06212 0.00000 0.00859
|
|
65 19G-1 0.10196 0.00000 -0.01618 0.00000 0.00764
|
|
66 19G+2 0.00000 -0.01664 0.00000 -0.04149 0.00000
|
|
67 19G-2 0.00000 0.05484 0.00000 0.08587 0.00000
|
|
68 19G+3 -0.01483 0.00000 0.01274 0.00000 0.00076
|
|
69 19G-3 0.10073 0.00000 -0.01866 0.00000 0.00741
|
|
70 19G+4 0.00000 -0.05093 0.00000 -0.09794 0.00000
|
|
71 19G-4 0.00000 0.13850 0.00000 -0.02308 0.00000
|
|
72 20G 0 0.00000 -0.14753 0.00000 -0.18229 0.00000
|
|
73 20G+1 -0.11723 0.00000 -0.26177 0.00000 0.04202
|
|
74 20G-1 -0.00919 0.00000 0.25892 0.00000 -0.36715
|
|
75 20G+2 0.00000 -0.08495 0.00000 -0.04691 0.00000
|
|
76 20G-2 0.00000 0.18296 0.00000 -0.07880 0.00000
|
|
77 20G+3 -0.41847 0.00000 -0.04702 0.00000 -0.07423
|
|
78 20G-3 0.28908 0.00000 0.31500 0.00000 -0.22210
|
|
79 20G+4 0.00000 -0.21234 0.00000 -0.40037 0.00000
|
|
80 20G-4 0.00000 0.07215 0.00000 -0.38668 0.00000
|
|
81 21H 0 0.05291 0.00000 0.15701 0.00000 -0.14168
|
|
82 21H+1 0.00000 -0.02286 0.00000 0.02262 0.00000
|
|
83 21H-1 0.00000 -0.01721 0.00000 0.00587 0.00000
|
|
84 21H+2 -0.00235 0.00000 0.05890 0.00000 -0.15361
|
|
85 21H-2 0.03395 0.00000 -0.01470 0.00000 -0.00055
|
|
86 21H+3 0.00000 -0.02671 0.00000 -0.16948 0.00000
|
|
87 21H-3 0.00000 -0.01891 0.00000 0.07644 0.00000
|
|
88 21H+4 0.02793 0.00000 0.13208 0.00000 -0.14248
|
|
89 21H-4 0.10200 0.00000 0.07340 0.00000 -0.03235
|
|
90 21H+5 0.00000 0.17394 0.00000 -0.16966 0.00000
|
|
91 21H-5 0.00000 0.00219 0.00000 0.17249 0.00000
|
|
92 2 O 1S 0.00000 -0.00182 0.00000 0.00509 0.00000
|
|
93 2S 0.00000 0.06615 0.00000 0.00081 0.00000
|
|
94 3S 0.00000 0.29721 0.00000 0.14205 0.00000
|
|
95 4S 0.00000 0.34333 0.00000 -1.30473 0.00000
|
|
96 5S 0.00000 -2.03186 0.00000 1.66757 0.00000
|
|
97 6S 0.00000 0.09740 0.00000 1.13809 0.00000
|
|
98 7PX 0.00000 -0.07993 0.00000 0.20198 0.00000
|
|
99 7PY 0.00000 0.06891 0.00000 0.36471 0.00000
|
|
100 7PZ -0.01333 0.00000 -0.18175 0.00000 0.12109
|
|
101 8PX 0.00000 0.53040 0.00000 -0.59290 0.00000
|
|
102 8PY 0.00000 -0.37181 0.00000 -1.02045 0.00000
|
|
103 8PZ 0.01451 0.00000 0.47436 0.00000 -0.37959
|
|
104 9PX 0.00000 -1.54148 0.00000 0.35158 0.00000
|
|
105 9PY 0.00000 1.26249 0.00000 2.15706 0.00000
|
|
106 9PZ 0.17638 0.00000 -0.77697 0.00000 0.86816
|
|
107 10PX 0.00000 -3.06887 0.00000 -0.20576 0.00000
|
|
108 10PY 0.00000 1.92683 0.00000 0.48561 0.00000
|
|
109 10PZ -1.16493 0.00000 0.12835 0.00000 -0.31222
|
|
110 11PX 0.00000 -0.10488 0.00000 -0.20943 0.00000
|
|
111 11PY 0.00000 0.06139 0.00000 0.20448 0.00000
|
|
112 11PZ -0.19666 0.00000 0.06182 0.00000 -0.05948
|
|
113 12D 0 0.00000 0.06333 0.00000 0.02221 0.00000
|
|
114 12D+1 -0.01109 0.00000 0.00327 0.00000 0.14792
|
|
115 12D-1 0.17232 0.00000 0.16112 0.00000 -0.17711
|
|
116 12D+2 0.00000 -0.15736 0.00000 0.11997 0.00000
|
|
117 12D-2 0.00000 0.15272 0.00000 -0.15474 0.00000
|
|
118 13D 0 0.00000 -0.05552 0.00000 0.12790 0.00000
|
|
119 13D+1 -0.00896 0.00000 0.04394 0.00000 -0.09185
|
|
120 13D-1 -0.05482 0.00000 0.03155 0.00000 0.08794
|
|
121 13D+2 0.00000 0.17465 0.00000 -0.06038 0.00000
|
|
122 13D-2 0.00000 -0.13762 0.00000 -0.03896 0.00000
|
|
123 14D 0 0.00000 0.47166 0.00000 -0.59894 0.00000
|
|
124 14D+1 0.07035 0.00000 -0.28226 0.00000 0.18759
|
|
125 14D-1 -0.10375 0.00000 -0.58167 0.00000 0.11089
|
|
126 14D+2 0.00000 -1.00859 0.00000 -0.41142 0.00000
|
|
127 14D-2 0.00000 0.94122 0.00000 0.80859 0.00000
|
|
128 15D 0 0.00000 0.19751 0.00000 -0.12830 0.00000
|
|
129 15D+1 -0.10974 0.00000 0.35089 0.00000 0.15684
|
|
130 15D-1 -1.02479 0.00000 0.11457 0.00000 -0.43406
|
|
131 15D+2 0.00000 -0.36302 0.00000 -0.02148 0.00000
|
|
132 15D-2 0.00000 -0.28498 0.00000 -0.95925 0.00000
|
|
133 16F 0 0.08163 0.00000 -0.76997 0.00000 0.38571
|
|
134 16F+1 0.00000 0.42944 0.00000 0.75116 0.00000
|
|
135 16F-1 0.00000 -0.13951 0.00000 0.42449 0.00000
|
|
136 16F+2 -0.20176 0.00000 -0.23950 0.00000 1.11020
|
|
137 16F-2 -0.22360 0.00000 0.95794 0.00000 0.45905
|
|
138 16F+3 0.00000 0.06345 0.00000 0.67345 0.00000
|
|
139 16F-3 0.00000 -0.14620 0.00000 -0.28884 0.00000
|
|
140 17F 0 -0.08986 0.00000 0.73302 0.00000 -0.48407
|
|
141 17F+1 0.00000 -0.16964 0.00000 -0.81992 0.00000
|
|
142 17F-1 0.00000 0.01042 0.00000 -0.43062 0.00000
|
|
143 17F+2 0.11185 0.00000 0.14969 0.00000 -1.04594
|
|
144 17F-2 0.23382 0.00000 -0.89867 0.00000 -0.56805
|
|
145 17F+3 0.00000 -0.27021 0.00000 -0.60151 0.00000
|
|
146 17F-3 0.00000 0.39504 0.00000 0.28387 0.00000
|
|
147 18F 0 0.36180 0.00000 -0.13703 0.00000 0.12256
|
|
148 18F+1 0.00000 0.46116 0.00000 0.07092 0.00000
|
|
149 18F-1 0.00000 -0.16027 0.00000 0.11365 0.00000
|
|
150 18F+2 0.75980 0.00000 -0.00495 0.00000 0.38916
|
|
151 18F-2 -0.29341 0.00000 0.48131 0.00000 0.05263
|
|
152 18F+3 0.00000 0.64364 0.00000 0.69212 0.00000
|
|
153 18F-3 0.00000 0.89117 0.00000 -0.58650 0.00000
|
|
154 19G 0 0.00000 -0.23267 0.00000 0.24589 0.00000
|
|
155 19G+1 -0.03357 0.00000 0.18247 0.00000 -0.14042
|
|
156 19G-1 -0.40448 0.00000 0.09924 0.00000 0.01761
|
|
157 19G+2 0.00000 0.38975 0.00000 -0.10297 0.00000
|
|
158 19G-2 0.00000 -0.49895 0.00000 -0.04226 0.00000
|
|
159 19G+3 -0.89822 0.00000 -0.06777 0.00000 -0.02501
|
|
160 19G-3 -0.63387 0.00000 -0.19606 0.00000 -0.35665
|
|
161 19G+4 0.00000 0.23723 0.00000 -0.28337 0.00000
|
|
162 19G-4 0.00000 -0.78697 0.00000 0.07333 0.00000
|
|
163 20G 0 0.00000 0.12577 0.00000 0.09153 0.00000
|
|
164 20G+1 0.01194 0.00000 -0.01492 0.00000 0.07316
|
|
165 20G-1 0.32690 0.00000 0.12385 0.00000 0.02023
|
|
166 20G+2 0.00000 -0.19228 0.00000 -0.12421 0.00000
|
|
167 20G-2 0.00000 0.28881 0.00000 0.04742 0.00000
|
|
168 20G+3 0.73049 0.00000 -0.19854 0.00000 -0.19849
|
|
169 20G-3 0.53974 0.00000 0.11525 0.00000 -0.05829
|
|
170 20G+4 0.00000 -0.22807 0.00000 0.56947 0.00000
|
|
171 20G-4 0.00000 1.10422 0.00000 -0.02815 0.00000
|
|
172 21H 0 -0.04314 0.00000 -0.07374 0.00000 0.03139
|
|
173 21H+1 0.00000 0.09133 0.00000 0.22512 0.00000
|
|
174 21H-1 0.00000 -0.05690 0.00000 -0.03171 0.00000
|
|
175 21H+2 -0.15058 0.00000 0.03921 0.00000 0.15888
|
|
176 21H-2 0.01750 0.00000 0.10317 0.00000 0.11672
|
|
177 21H+3 0.00000 -0.09476 0.00000 -0.10671 0.00000
|
|
178 21H-3 0.00000 -0.01520 0.00000 0.08813 0.00000
|
|
179 21H+4 0.03047 0.00000 -0.31326 0.00000 -0.22940
|
|
180 21H-4 0.11637 0.00000 -0.04549 0.00000 -0.07368
|
|
181 21H+5 0.00000 -0.14973 0.00000 0.26418 0.00000
|
|
182 21H-5 0.00000 0.20117 0.00000 0.26323 0.00000
|
|
183 3 H 1S 0.00000 0.01414 0.00000 -0.10172 0.00000
|
|
184 2S 0.00000 -0.13903 0.00000 0.50415 0.00000
|
|
185 3S 0.00000 0.57401 0.00000 -2.23890 0.00000
|
|
186 4S 0.00000 0.53814 0.00000 -1.11947 0.00000
|
|
187 5S 0.00000 -0.12422 0.00000 -0.03955 0.00000
|
|
188 6PX 0.00000 -0.02667 0.00000 -0.12706 0.00000
|
|
189 6PY 0.00000 0.08325 0.00000 0.09462 0.00000
|
|
190 6PZ 0.07889 0.00000 0.01407 0.00000 0.08402
|
|
191 7PX 0.00000 0.02341 0.00000 0.33532 0.00000
|
|
192 7PY 0.00000 -0.06983 0.00000 -0.17067 0.00000
|
|
193 7PZ -0.13965 0.00000 -0.02501 0.00000 -0.17339
|
|
194 8PX 0.00000 -0.13713 0.00000 -1.28100 0.00000
|
|
195 8PY 0.00000 -0.66859 0.00000 0.05667 0.00000
|
|
196 8PZ -0.00102 0.00000 0.08435 0.00000 0.32224
|
|
197 9PX 0.00000 0.01475 0.00000 -0.62833 0.00000
|
|
198 9PY 0.00000 -0.33439 0.00000 0.10383 0.00000
|
|
199 9PZ 0.16535 0.00000 0.03597 0.00000 0.28757
|
|
200 10D 0 0.00000 0.02681 0.00000 -0.01597 0.00000
|
|
201 10D+1 0.00275 0.00000 0.01259 0.00000 -0.02761
|
|
202 10D-1 -0.01119 0.00000 0.02527 0.00000 -0.01983
|
|
203 10D+2 0.00000 0.06426 0.00000 0.10303 0.00000
|
|
204 10D-2 0.00000 0.08096 0.00000 -0.00320 0.00000
|
|
205 11D 0 0.00000 -0.07844 0.00000 0.00376 0.00000
|
|
206 11D+1 -0.05913 0.00000 -0.01813 0.00000 0.02619
|
|
207 11D-1 0.06589 0.00000 -0.04618 0.00000 0.03616
|
|
208 11D+2 0.00000 -0.20059 0.00000 -0.30267 0.00000
|
|
209 11D-2 0.00000 -0.33893 0.00000 -0.00310 0.00000
|
|
210 12D 0 0.00000 0.01655 0.00000 0.12610 0.00000
|
|
211 12D+1 0.06512 0.00000 0.05046 0.00000 0.22447
|
|
212 12D-1 -0.06040 0.00000 0.16275 0.00000 0.00199
|
|
213 12D+2 0.00000 -0.17075 0.00000 -0.28222 0.00000
|
|
214 12D-2 0.00000 -0.11920 0.00000 0.04890 0.00000
|
|
215 13F 0 0.03118 0.00000 0.00211 0.00000 -0.00240
|
|
216 13F+1 0.00000 -0.02439 0.00000 -0.00870 0.00000
|
|
217 13F-1 0.00000 0.03999 0.00000 0.02902 0.00000
|
|
218 13F+2 0.01662 0.00000 0.00635 0.00000 -0.02716
|
|
219 13F-2 0.02562 0.00000 -0.01089 0.00000 -0.00081
|
|
220 13F+3 0.00000 -0.04208 0.00000 -0.03458 0.00000
|
|
221 13F-3 0.00000 -0.04952 0.00000 0.04648 0.00000
|
|
222 14F 0 -0.06004 0.00000 -0.00240 0.00000 0.00469
|
|
223 14F+1 0.00000 0.00909 0.00000 -0.02370 0.00000
|
|
224 14F-1 0.00000 0.01660 0.00000 -0.02904 0.00000
|
|
225 14F+2 -0.01800 0.00000 0.00124 0.00000 0.08775
|
|
226 14F-2 -0.00037 0.00000 0.06450 0.00000 0.00588
|
|
227 14F+3 0.00000 -0.06947 0.00000 -0.12419 0.00000
|
|
228 14F-3 0.00000 -0.07566 0.00000 0.03382 0.00000
|
|
229 15G 0 0.00000 0.00571 0.00000 0.01018 0.00000
|
|
230 15G+1 -0.01542 0.00000 0.00028 0.00000 0.00987
|
|
231 15G-1 0.01558 0.00000 -0.00590 0.00000 0.00189
|
|
232 15G+2 0.00000 -0.00482 0.00000 -0.01718 0.00000
|
|
233 15G-2 0.00000 0.02479 0.00000 0.01279 0.00000
|
|
234 15G+3 0.01166 0.00000 0.00909 0.00000 0.01461
|
|
235 15G-3 0.01464 0.00000 0.01916 0.00000 -0.00850
|
|
236 15G+4 0.00000 -0.02115 0.00000 -0.03772 0.00000
|
|
237 15G-4 0.00000 -0.03962 0.00000 0.06567 0.00000
|
|
238 4 H 1S 0.00000 -0.43211 0.00000 0.23647 0.00000
|
|
239 2S 0.00000 1.53813 0.00000 -1.33018 0.00000
|
|
240 3S 0.00000 3.32397 0.00000 0.86424 0.00000
|
|
241 4S 0.00000 0.21609 0.00000 0.71637 0.00000
|
|
242 5S 0.00000 0.04044 0.00000 0.08572 0.00000
|
|
243 6PX 0.00000 0.50292 0.00000 -0.16369 0.00000
|
|
244 6PY 0.00000 -0.10539 0.00000 0.42372 0.00000
|
|
245 6PZ 0.03753 0.00000 -0.09492 0.00000 -0.00488
|
|
246 7PX 0.00000 -1.31158 0.00000 0.52687 0.00000
|
|
247 7PY 0.00000 0.39294 0.00000 -0.97804 0.00000
|
|
248 7PZ -0.08831 0.00000 0.17337 0.00000 0.10864
|
|
249 8PX 0.00000 -1.52528 0.00000 -1.04976 0.00000
|
|
250 8PY 0.00000 -0.35955 0.00000 0.57029 0.00000
|
|
251 8PZ -0.18998 0.00000 0.02443 0.00000 -0.38207
|
|
252 9PX 0.00000 -0.27154 0.00000 -0.30974 0.00000
|
|
253 9PY 0.00000 -0.08444 0.00000 0.47155 0.00000
|
|
254 9PZ -0.04512 0.00000 -0.05442 0.00000 -0.12324
|
|
255 10D 0 0.00000 -0.08612 0.00000 0.06151 0.00000
|
|
256 10D+1 0.01073 0.00000 -0.00271 0.00000 -0.10628
|
|
257 10D-1 0.03322 0.00000 -0.02697 0.00000 -0.04099
|
|
258 10D+2 0.00000 -0.04113 0.00000 -0.04045 0.00000
|
|
259 10D-2 0.00000 -0.13924 0.00000 0.17486 0.00000
|
|
260 11D 0 0.00000 -0.00597 0.00000 0.03936 0.00000
|
|
261 11D+1 0.01347 0.00000 -0.08648 0.00000 0.26646
|
|
262 11D-1 -0.26300 0.00000 0.24599 0.00000 0.23888
|
|
263 11D+2 0.00000 0.82484 0.00000 0.47486 0.00000
|
|
264 11D-2 0.00000 -0.11142 0.00000 0.12342 0.00000
|
|
265 12D 0 0.00000 0.12240 0.00000 -0.44405 0.00000
|
|
266 12D+1 0.02288 0.00000 0.00075 0.00000 0.19271
|
|
267 12D-1 -0.09178 0.00000 -0.07704 0.00000 -0.10395
|
|
268 12D+2 0.00000 0.20407 0.00000 0.10191 0.00000
|
|
269 12D-2 0.00000 0.33640 0.00000 -0.34154 0.00000
|
|
270 13F 0 0.00874 0.00000 -0.03699 0.00000 0.05969
|
|
271 13F+1 0.00000 0.00385 0.00000 -0.22348 0.00000
|
|
272 13F-1 0.00000 0.00231 0.00000 0.11305 0.00000
|
|
273 13F+2 0.03299 0.00000 -0.11104 0.00000 -0.17627
|
|
274 13F-2 0.04903 0.00000 -0.24532 0.00000 -0.18748
|
|
275 13F+3 0.00000 -0.16363 0.00000 -0.23371 0.00000
|
|
276 13F-3 0.00000 0.21203 0.00000 0.02630 0.00000
|
|
277 14F 0 -0.02057 0.00000 -0.01076 0.00000 0.06178
|
|
278 14F+1 0.00000 -0.21946 0.00000 0.09814 0.00000
|
|
279 14F-1 0.00000 0.10324 0.00000 -0.05564 0.00000
|
|
280 14F+2 0.12251 0.00000 -0.01647 0.00000 -0.20634
|
|
281 14F-2 0.19254 0.00000 -0.07613 0.00000 -0.05952
|
|
282 14F+3 0.00000 -0.27037 0.00000 -0.10216 0.00000
|
|
283 14F-3 0.00000 0.02340 0.00000 0.07316 0.00000
|
|
284 15G 0 0.00000 -0.03751 0.00000 -0.20173 0.00000
|
|
285 15G+1 0.02313 0.00000 -0.00627 0.00000 -0.15839
|
|
286 15G-1 -0.02157 0.00000 -0.13116 0.00000 -0.09037
|
|
287 15G+2 0.00000 0.01513 0.00000 0.15790 0.00000
|
|
288 15G-2 0.00000 -0.02180 0.00000 -0.09664 0.00000
|
|
289 15G+3 -0.03179 0.00000 0.24407 0.00000 0.32820
|
|
290 15G-3 0.00921 0.00000 0.20517 0.00000 0.13705
|
|
291 15G+4 0.00000 0.08645 0.00000 0.09596 0.00000
|
|
292 15G-4 0.00000 -0.14197 0.00000 -0.20609 0.00000
|
|
293 5 H 1S -0.03362 -0.04806 -0.08679 0.06941 0.02980
|
|
294 2S 0.42350 0.24359 0.11904 -0.09621 -0.10692
|
|
295 3S -2.37369 -0.33036 0.51738 -1.43126 0.49601
|
|
296 4S -1.70800 -1.06014 0.43440 -0.40105 0.03618
|
|
297 5S 0.07220 0.06084 -0.01384 0.02482 0.05488
|
|
298 6PX 0.01840 0.04770 0.08313 -0.03216 -0.04842
|
|
299 6PY 0.13758 0.00895 0.02661 -0.02316 0.01324
|
|
300 6PZ -0.06047 0.03092 0.16385 -0.11273 -0.07306
|
|
301 7PX -0.07643 -0.11553 -0.15631 0.06067 0.13020
|
|
302 7PY -0.28898 -0.02837 0.01206 0.02594 -0.04313
|
|
303 7PZ -0.01953 -0.12233 -0.31430 0.23305 0.16818
|
|
304 8PX 0.42820 0.21609 -0.09663 0.26878 -0.40749
|
|
305 8PY 0.55695 -0.11838 -0.63360 0.27197 -0.05050
|
|
306 8PZ 1.22165 0.47511 0.10611 0.29501 -0.28620
|
|
307 9PX 0.19521 0.36882 -0.04771 0.22599 -0.19483
|
|
308 9PY 0.57113 0.11602 -0.21116 -0.02305 0.06327
|
|
309 9PZ 0.59411 0.32466 -0.04227 0.06910 -0.09615
|
|
310 10D 0 0.08640 0.05149 0.07459 -0.05376 -0.03235
|
|
311 10D+1 0.05380 0.04215 0.02015 -0.01286 -0.05010
|
|
312 10D-1 0.03541 0.01284 -0.02776 0.01530 0.01199
|
|
313 10D+2 -0.02543 0.00096 0.09765 -0.03399 -0.07491
|
|
314 10D-2 0.03136 -0.00742 -0.02443 -0.01064 0.00654
|
|
315 11D 0 -0.36238 -0.15655 -0.08533 -0.01613 -0.00963
|
|
316 11D+1 -0.18455 -0.09401 0.09868 -0.09440 0.05500
|
|
317 11D-1 -0.09594 0.01546 0.16293 -0.09072 0.00327
|
|
318 11D+2 0.00026 -0.01223 -0.20792 0.05507 0.12310
|
|
319 11D-2 -0.06122 0.05079 0.11521 -0.02306 0.02099
|
|
320 12D 0 -0.17183 -0.16806 -0.17648 0.08345 0.05361
|
|
321 12D+1 -0.15127 -0.22614 -0.06349 -0.04889 0.14269
|
|
322 12D-1 -0.21580 -0.03852 0.09683 0.08082 0.06371
|
|
323 12D+2 0.14215 -0.13369 -0.12126 -0.03880 0.19830
|
|
324 12D-2 -0.10015 -0.07346 -0.04200 -0.00484 0.02773
|
|
325 13F 0 0.04928 0.02132 -0.00343 0.03103 0.02516
|
|
326 13F+1 0.03813 0.01528 -0.05767 0.04496 0.02634
|
|
327 13F-1 0.04694 -0.01191 -0.02285 0.03038 0.00487
|
|
328 13F+2 0.03345 0.00335 -0.00449 0.01967 0.03117
|
|
329 13F-2 0.02028 -0.01458 -0.05652 0.02565 0.00432
|
|
330 13F+3 0.00929 0.00448 0.01442 -0.01900 0.04251
|
|
331 13F-3 0.01549 -0.01813 -0.00004 0.00147 -0.00777
|
|
332 14F 0 0.08402 0.04626 0.08410 -0.05098 -0.01314
|
|
333 14F+1 0.08106 0.10168 0.02316 -0.01258 -0.01967
|
|
334 14F-1 0.03038 0.04299 0.02659 -0.06215 -0.03490
|
|
335 14F+2 -0.03250 0.05848 0.09505 -0.01792 -0.09164
|
|
336 14F-2 0.04613 0.03399 0.02505 0.00272 -0.02119
|
|
337 14F+3 -0.04326 0.01443 0.03602 0.03674 -0.11049
|
|
338 14F-3 -0.00900 0.03678 0.08655 -0.02133 -0.05349
|
|
339 15G 0 -0.02160 -0.00402 -0.00569 -0.00821 -0.00979
|
|
340 15G+1 -0.02832 -0.03805 0.01735 -0.00578 -0.00351
|
|
341 15G-1 -0.04188 -0.01182 -0.02393 0.01238 0.00566
|
|
342 15G+2 -0.01643 -0.01974 0.00261 -0.01392 -0.01335
|
|
343 15G-2 -0.03034 -0.01402 0.02664 -0.02240 -0.01194
|
|
344 15G+3 0.01222 -0.01029 -0.00651 -0.00346 -0.00078
|
|
345 15G-3 -0.02020 -0.01412 -0.03100 0.00400 0.01522
|
|
346 15G+4 0.00301 0.00533 0.01781 -0.01186 -0.00684
|
|
347 15G-4 -0.00032 -0.00241 -0.02386 0.00364 0.02649
|
|
348 6 H 1S 0.03362 -0.04806 0.08679 0.06941 -0.02980
|
|
349 2S -0.42350 0.24359 -0.11904 -0.09621 0.10692
|
|
350 3S 2.37369 -0.33036 -0.51738 -1.43126 -0.49601
|
|
351 4S 1.70800 -1.06014 -0.43440 -0.40105 -0.03618
|
|
352 5S -0.07220 0.06084 0.01384 0.02482 -0.05488
|
|
353 6PX -0.01840 0.04770 -0.08313 -0.03216 0.04842
|
|
354 6PY -0.13758 0.00895 -0.02661 -0.02316 -0.01324
|
|
355 6PZ -0.06047 -0.03092 0.16385 0.11273 -0.07306
|
|
356 7PX 0.07643 -0.11553 0.15631 0.06067 -0.13020
|
|
357 7PY 0.28898 -0.02837 -0.01206 0.02594 0.04313
|
|
358 7PZ -0.01953 0.12233 -0.31430 -0.23305 0.16818
|
|
359 8PX -0.42820 0.21609 0.09663 0.26878 0.40749
|
|
360 8PY -0.55695 -0.11838 0.63360 0.27197 0.05050
|
|
361 8PZ 1.22165 -0.47511 0.10611 -0.29501 -0.28620
|
|
362 9PX -0.19521 0.36882 0.04771 0.22599 0.19483
|
|
363 9PY -0.57113 0.11602 0.21116 -0.02305 -0.06327
|
|
364 9PZ 0.59411 -0.32466 -0.04227 -0.06910 -0.09615
|
|
365 10D 0 -0.08640 0.05149 -0.07459 -0.05376 0.03235
|
|
366 10D+1 0.05380 -0.04215 0.02015 0.01286 -0.05010
|
|
367 10D-1 0.03541 -0.01284 -0.02776 -0.01530 0.01199
|
|
368 10D+2 0.02543 0.00096 -0.09765 -0.03399 0.07491
|
|
369 10D-2 -0.03136 -0.00742 0.02443 -0.01064 -0.00654
|
|
370 11D 0 0.36238 -0.15655 0.08533 -0.01613 0.00963
|
|
371 11D+1 -0.18455 0.09401 0.09868 0.09440 0.05500
|
|
372 11D-1 -0.09594 -0.01546 0.16293 0.09072 0.00327
|
|
373 11D+2 -0.00026 -0.01223 0.20792 0.05507 -0.12310
|
|
374 11D-2 0.06122 0.05079 -0.11521 -0.02306 -0.02099
|
|
375 12D 0 0.17183 -0.16806 0.17648 0.08345 -0.05361
|
|
376 12D+1 -0.15127 0.22614 -0.06349 0.04889 0.14269
|
|
377 12D-1 -0.21580 0.03852 0.09683 -0.08082 0.06371
|
|
378 12D+2 -0.14215 -0.13369 0.12126 -0.03880 -0.19830
|
|
379 12D-2 0.10015 -0.07346 0.04200 -0.00484 -0.02773
|
|
380 13F 0 0.04928 -0.02132 -0.00343 -0.03103 0.02516
|
|
381 13F+1 -0.03813 0.01528 0.05767 0.04496 -0.02634
|
|
382 13F-1 -0.04694 -0.01191 0.02285 0.03038 -0.00487
|
|
383 13F+2 0.03345 -0.00335 -0.00449 -0.01967 0.03117
|
|
384 13F-2 0.02028 0.01458 -0.05652 -0.02565 0.00432
|
|
385 13F+3 -0.00929 0.00448 -0.01442 -0.01900 -0.04251
|
|
386 13F-3 -0.01549 -0.01813 0.00004 0.00147 0.00777
|
|
387 14F 0 0.08402 -0.04626 0.08410 0.05098 -0.01314
|
|
388 14F+1 -0.08106 0.10168 -0.02316 -0.01258 0.01967
|
|
389 14F-1 -0.03038 0.04299 -0.02659 -0.06215 0.03490
|
|
390 14F+2 -0.03250 -0.05848 0.09505 0.01792 -0.09164
|
|
391 14F-2 0.04613 -0.03399 0.02505 -0.00272 -0.02119
|
|
392 14F+3 0.04326 0.01443 -0.03602 0.03674 0.11049
|
|
393 14F-3 0.00900 0.03678 -0.08655 -0.02133 0.05349
|
|
394 15G 0 0.02160 -0.00402 0.00569 -0.00821 0.00979
|
|
395 15G+1 -0.02832 0.03805 0.01735 0.00578 -0.00351
|
|
396 15G-1 -0.04188 0.01182 -0.02393 -0.01238 0.00566
|
|
397 15G+2 0.01643 -0.01974 -0.00261 -0.01392 0.01335
|
|
398 15G-2 0.03034 -0.01402 -0.02664 -0.02240 0.01194
|
|
399 15G+3 0.01222 0.01029 -0.00651 0.00346 -0.00078
|
|
400 15G-3 -0.02020 0.01412 -0.03100 -0.00400 0.01522
|
|
401 15G+4 -0.00301 0.00533 -0.01781 -0.01186 0.00684
|
|
402 15G-4 0.00032 -0.00241 0.02386 0.00364 -0.02649
|
|
386 387 388 389 390
|
|
V V V V V
|
|
Eigenvalues -- 20.35056 20.73692 20.76455 20.78768 21.04227
|
|
1 1 C 1S 0.00000 -0.12393 0.00000 0.01479 -0.07053
|
|
2 2S 0.00000 0.08040 0.00000 0.02310 -0.01409
|
|
3 3S 0.00000 -0.15266 0.00000 0.18108 -0.17356
|
|
4 4S 0.00000 6.85414 0.00000 -0.65842 2.98822
|
|
5 5S 0.00000 2.13451 0.00000 -1.15591 -0.30147
|
|
6 6S 0.00000 1.87593 0.00000 -0.43861 -0.20127
|
|
7 7PX 0.00000 -0.04898 0.00000 -0.04990 0.00228
|
|
8 7PY 0.00000 0.08532 0.00000 0.03313 0.05856
|
|
9 7PZ -0.02738 0.00000 -0.01133 0.00000 0.00000
|
|
10 8PX 0.00000 0.21241 0.00000 -2.71889 -0.99689
|
|
11 8PY 0.00000 0.66277 0.00000 0.04152 -1.65725
|
|
12 8PZ 0.00051 0.00000 -2.99972 0.00000 0.00000
|
|
13 9PX 0.00000 -0.09345 0.00000 6.65690 3.12868
|
|
14 9PY 0.00000 0.31929 0.00000 -1.23857 7.72488
|
|
15 9PZ 0.56363 0.00000 7.40856 0.00000 0.00000
|
|
16 10PX 0.00000 -0.12576 0.00000 3.63586 1.72132
|
|
17 10PY 0.00000 0.30355 0.00000 -0.84869 4.60190
|
|
18 10PZ 0.82948 0.00000 4.00650 0.00000 0.00000
|
|
19 11PX 0.00000 0.06930 0.00000 -0.03292 -0.06877
|
|
20 11PY 0.00000 0.05087 0.00000 0.03070 0.18840
|
|
21 11PZ 0.01763 0.00000 -0.05872 0.00000 0.00000
|
|
22 12D 0 0.00000 0.11938 0.00000 -0.38434 -0.24309
|
|
23 12D+1 -0.05591 0.00000 -0.46157 0.00000 0.00000
|
|
24 12D-1 0.03758 0.00000 -0.46055 0.00000 0.00000
|
|
25 12D+2 0.00000 0.20221 0.00000 0.38996 -0.12917
|
|
26 12D-2 0.00000 0.01205 0.00000 -0.40399 -0.06135
|
|
27 13D 0 0.00000 -0.04400 0.00000 0.15267 0.14017
|
|
28 13D+1 0.15862 0.00000 0.17767 0.00000 0.00000
|
|
29 13D-1 0.11419 0.00000 0.28329 0.00000 0.00000
|
|
30 13D+2 0.00000 -0.23538 0.00000 -0.29718 0.00305
|
|
31 13D-2 0.00000 0.03457 0.00000 0.28955 0.13587
|
|
32 14D 0 0.00000 0.05286 0.00000 2.39197 3.08309
|
|
33 14D+1 0.21339 0.00000 3.31547 0.00000 0.00000
|
|
34 14D-1 -0.66360 0.00000 2.92079 0.00000 0.00000
|
|
35 14D+2 0.00000 -0.00854 0.00000 -3.00111 2.92213
|
|
36 14D-2 0.00000 0.13887 0.00000 2.37042 0.33519
|
|
37 15D 0 0.00000 0.05999 0.00000 0.77379 1.20085
|
|
38 15D+1 0.24998 0.00000 1.13253 0.00000 0.00000
|
|
39 15D-1 -0.02829 0.00000 0.82740 0.00000 0.00000
|
|
40 15D+2 0.00000 0.06661 0.00000 -0.91144 0.95289
|
|
41 15D-2 0.00000 0.06132 0.00000 0.45124 0.17904
|
|
42 16F 0 0.05840 0.00000 -0.02619 0.00000 0.00000
|
|
43 16F+1 0.00000 0.18689 0.00000 -0.03351 0.03123
|
|
44 16F-1 0.00000 0.17573 0.00000 -0.13238 0.09860
|
|
45 16F+2 0.08604 0.00000 -0.00665 0.00000 0.00000
|
|
46 16F-2 -0.00309 0.00000 -0.15801 0.00000 0.00000
|
|
47 16F+3 0.00000 -0.08805 0.00000 -0.06231 0.11920
|
|
48 16F-3 0.00000 0.15573 0.00000 0.00095 0.25319
|
|
49 17F 0 -0.20384 0.00000 0.41599 0.00000 0.00000
|
|
50 17F+1 0.00000 -1.49165 0.00000 -0.02134 0.05370
|
|
51 17F-1 0.00000 -0.85326 0.00000 1.23546 -0.31161
|
|
52 17F+2 -0.36824 0.00000 0.31657 0.00000 0.00000
|
|
53 17F-2 0.09525 0.00000 1.50053 0.00000 0.00000
|
|
54 17F+3 0.00000 0.58591 0.00000 0.96837 -0.36556
|
|
55 17F-3 0.00000 -0.91364 0.00000 -0.41994 -1.40530
|
|
56 18F 0 0.02521 0.00000 0.15033 0.00000 0.00000
|
|
57 18F+1 0.00000 -0.62604 0.00000 -0.10151 0.14299
|
|
58 18F-1 0.00000 -0.60771 0.00000 0.75066 -0.22817
|
|
59 18F+2 -0.09541 0.00000 0.14712 0.00000 0.00000
|
|
60 18F-2 -0.07784 0.00000 0.93511 0.00000 0.00000
|
|
61 18F+3 0.00000 0.34897 0.00000 0.38258 -0.20569
|
|
62 18F-3 0.00000 -0.29041 0.00000 -0.34703 -0.88031
|
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319 11D-2 0.01826 -0.04469 -0.16793 0.11614 -0.08923
|
|
320 12D 0 0.00354 -0.64505 0.58904 0.26373 -0.25652
|
|
321 12D+1 0.02398 -0.77810 0.58653 0.48667 -0.17834
|
|
322 12D-1 -0.06713 -0.73675 0.48072 0.30480 -0.09877
|
|
323 12D+2 -0.05241 -0.06059 0.06284 0.11697 -0.08330
|
|
324 12D-2 -0.02335 -0.43656 0.21948 0.27265 -0.05333
|
|
325 13F 0 -0.01671 -0.04407 -0.02048 0.09100 0.01094
|
|
326 13F+1 0.02077 -0.12658 0.23794 0.10818 0.04223
|
|
327 13F-1 0.01345 -0.11220 0.20656 0.12042 0.04060
|
|
328 13F+2 -0.03453 -0.03042 0.02198 -0.03586 -0.01220
|
|
329 13F-2 0.00910 -0.08646 0.21583 0.09846 0.03932
|
|
330 13F+3 -0.01252 0.01928 -0.03874 -0.04517 -0.02118
|
|
331 13F-3 -0.01773 -0.05395 0.05020 0.01078 0.00575
|
|
332 14F 0 0.01973 0.07300 -0.08488 -0.04470 0.07278
|
|
333 14F+1 -0.02213 0.24599 -0.32937 -0.17556 -0.01894
|
|
334 14F-1 0.07256 0.22736 -0.28380 -0.12089 0.00201
|
|
335 14F+2 0.05089 0.07514 -0.04288 -0.05342 0.06748
|
|
336 14F-2 -0.00903 0.25230 -0.21649 -0.18997 0.01652
|
|
337 14F+3 0.05674 -0.00994 0.03822 0.04558 0.03467
|
|
338 14F-3 0.03860 0.05950 -0.07223 -0.08184 0.00785
|
|
339 15G 0 0.01722 -0.02064 0.04178 -0.02434 -0.02392
|
|
340 15G+1 -0.01348 0.03322 -0.00361 -0.02188 0.00417
|
|
341 15G-1 -0.01509 0.02003 0.00443 -0.02117 -0.01395
|
|
342 15G+2 0.00971 -0.00620 -0.00124 0.02326 -0.01237
|
|
343 15G-2 -0.00066 -0.03767 -0.05040 -0.01348 -0.02019
|
|
344 15G+3 -0.01159 -0.00707 0.01513 0.02135 0.00279
|
|
345 15G-3 -0.00338 0.01031 -0.01027 0.01758 -0.00090
|
|
346 15G+4 0.00130 -0.04351 -0.00847 0.00027 -0.00401
|
|
347 15G-4 -0.00470 0.01519 0.00588 0.01465 0.00219
|
|
348 6 H 1S 0.00887 -0.81946 -1.07000 0.59904 0.07405
|
|
349 2S -0.12373 3.35757 4.02231 -2.35422 -0.02887
|
|
350 3S 0.38983 -1.97801 3.04029 -0.72943 -3.34471
|
|
351 4S 0.55036 -1.96297 1.78754 -0.17335 -2.05106
|
|
352 5S -0.04069 -0.08155 -0.13260 0.05391 0.05558
|
|
353 6PX -0.02576 0.45469 0.60408 -0.20078 -0.01437
|
|
354 6PY 0.03868 0.37525 0.52424 -0.27694 -0.03269
|
|
355 6PZ -0.03218 -0.86843 -0.96105 0.62426 0.04266
|
|
356 7PX 0.07518 -1.16932 -1.55337 0.60880 0.02197
|
|
357 7PY -0.06467 -0.95523 -1.34188 0.73500 0.07986
|
|
358 7PZ 0.00958 2.20476 2.55923 -1.62830 -0.08641
|
|
359 8PX -0.06047 1.14110 0.01276 -0.54469 0.69582
|
|
360 8PY -0.20752 0.98863 -0.08289 -0.21058 0.49932
|
|
361 8PZ 0.11176 -2.06866 -0.33812 0.40378 -1.44068
|
|
362 9PX -0.06526 0.53865 -0.08745 -0.21756 0.40881
|
|
363 9PY -0.14034 0.59274 -0.16950 -0.05247 0.24640
|
|
364 9PZ 0.10547 -1.06601 0.05825 0.20881 -0.75103
|
|
365 10D 0 -0.02692 0.22682 0.26375 -0.18577 0.01520
|
|
366 10D+1 0.01472 -0.28193 -0.36738 0.18912 -0.00245
|
|
367 10D-1 0.02664 -0.20622 -0.31297 0.15637 0.02245
|
|
368 10D+2 -0.04863 0.05756 0.02461 0.00951 0.02646
|
|
369 10D-2 0.01559 0.11588 0.14538 -0.13495 0.00225
|
|
370 11D 0 0.04987 -0.06520 -0.02290 -0.12225 -0.19722
|
|
371 11D+1 -0.00687 0.13083 -0.14700 -0.07831 0.15187
|
|
372 11D-1 -0.14134 0.07234 -0.15399 0.11043 0.11967
|
|
373 11D+2 0.04490 -0.05412 0.00169 0.07416 -0.05133
|
|
374 11D-2 -0.01826 -0.04469 0.16793 0.11614 -0.08923
|
|
375 12D 0 -0.00354 -0.64505 -0.58904 0.26373 -0.25652
|
|
376 12D+1 0.02398 0.77810 0.58653 -0.48667 0.17834
|
|
377 12D-1 -0.06713 0.73675 0.48072 -0.30480 0.09877
|
|
378 12D+2 0.05241 -0.06059 -0.06284 0.11697 -0.08330
|
|
379 12D-2 0.02335 -0.43656 -0.21948 0.27265 -0.05333
|
|
380 13F 0 -0.01671 0.04407 -0.02048 -0.09100 -0.01094
|
|
381 13F+1 -0.02077 -0.12658 -0.23794 0.10818 0.04223
|
|
382 13F-1 -0.01345 -0.11220 -0.20656 0.12042 0.04060
|
|
383 13F+2 -0.03453 0.03042 0.02198 0.03586 0.01220
|
|
384 13F-2 0.00910 0.08646 0.21583 -0.09846 -0.03932
|
|
385 13F+3 0.01252 0.01928 0.03874 -0.04517 -0.02118
|
|
386 13F-3 0.01773 -0.05395 -0.05020 0.01078 0.00575
|
|
387 14F 0 0.01973 -0.07300 -0.08488 0.04470 -0.07278
|
|
388 14F+1 0.02213 0.24599 0.32937 -0.17556 -0.01894
|
|
389 14F-1 -0.07256 0.22736 0.28380 -0.12089 0.00201
|
|
390 14F+2 0.05089 -0.07514 -0.04288 0.05342 -0.06748
|
|
391 14F-2 -0.00903 -0.25230 -0.21649 0.18997 -0.01652
|
|
392 14F+3 -0.05674 -0.00994 -0.03822 0.04558 0.03467
|
|
393 14F-3 -0.03860 0.05950 0.07223 -0.08184 0.00785
|
|
394 15G 0 -0.01722 -0.02064 -0.04178 -0.02434 -0.02392
|
|
395 15G+1 -0.01348 -0.03322 -0.00361 0.02188 -0.00417
|
|
396 15G-1 -0.01509 -0.02003 0.00443 0.02117 0.01395
|
|
397 15G+2 -0.00971 -0.00620 0.00124 0.02326 -0.01237
|
|
398 15G-2 0.00066 -0.03767 0.05040 -0.01348 -0.02019
|
|
399 15G+3 -0.01159 0.00707 0.01513 -0.02135 -0.00279
|
|
400 15G-3 -0.00338 -0.01031 -0.01027 -0.01758 0.00090
|
|
401 15G+4 -0.00130 -0.04351 0.00847 0.00027 -0.00401
|
|
402 15G-4 0.00470 0.01519 -0.00588 0.01465 0.00219
|
|
391 392 393 394 395
|
|
V V V V V
|
|
Eigenvalues -- 21.08609 21.42050 22.71357 22.97178 23.16056
|
|
1 1 C 1S 0.00425 -0.01988 0.00000 -0.01563 0.00000
|
|
2 2S -0.14262 -0.01575 0.00000 0.00260 0.00000
|
|
3 3S -0.97018 -0.12084 0.00000 0.07754 0.00000
|
|
4 4S 2.34144 1.01204 0.00000 0.19794 0.00000
|
|
5 5S -1.66257 0.10162 0.00000 -0.55930 0.00000
|
|
6 6S -0.33733 0.41701 0.00000 -0.77868 0.00000
|
|
7 7PX -0.01762 0.01486 0.00000 -0.02563 0.00000
|
|
8 7PY 0.26523 0.02807 0.00000 -0.00697 0.00000
|
|
9 7PZ 0.00000 0.00000 -0.00025 0.00000 0.02079
|
|
10 8PX 0.30175 0.05010 0.00000 0.66057 0.00000
|
|
11 8PY -2.70978 -0.32455 0.00000 -0.65657 0.00000
|
|
12 8PZ 0.00000 0.00000 0.13062 0.00000 -0.54768
|
|
13 9PX -0.61658 -1.17612 0.00000 -3.87940 0.00000
|
|
14 9PY 7.00124 1.35134 0.00000 4.09049 0.00000
|
|
15 9PZ 0.00000 0.00000 -0.51731 0.00000 3.45505
|
|
16 10PX -0.42994 -0.52393 0.00000 -2.18511 0.00000
|
|
17 10PY 3.52640 1.28303 0.00000 2.46824 0.00000
|
|
18 10PZ 0.00000 0.00000 -0.00321 0.00000 1.50086
|
|
19 11PX 0.01105 -0.07144 0.00000 0.04706 0.00000
|
|
20 11PY 0.04515 0.06934 0.00000 0.14689 0.00000
|
|
21 11PZ 0.00000 0.00000 0.15949 0.00000 -0.06297
|
|
22 12D 0 -0.04988 -0.02734 0.00000 -0.00739 0.00000
|
|
23 12D+1 0.00000 0.00000 0.00922 0.00000 -0.04273
|
|
24 12D-1 0.00000 0.00000 0.01973 0.00000 -0.02328
|
|
25 12D+2 -0.13658 -0.04062 0.00000 -0.11442 0.00000
|
|
26 12D-2 0.00404 -0.03741 0.00000 0.02761 0.00000
|
|
27 13D 0 -0.28802 -0.06246 0.00000 -0.03496 0.00000
|
|
28 13D+1 0.00000 0.00000 -0.03414 0.00000 0.16049
|
|
29 13D-1 0.00000 0.00000 -0.13224 0.00000 0.37223
|
|
30 13D+2 -0.41955 0.04840 0.00000 0.21271 0.00000
|
|
31 13D-2 -0.06929 -0.14009 0.00000 -0.27080 0.00000
|
|
32 14D 0 2.04034 0.07719 0.00000 -0.07784 0.00000
|
|
33 14D+1 0.00000 0.00000 -0.14349 0.00000 0.40789
|
|
34 14D-1 0.00000 0.00000 0.71099 0.00000 -1.43471
|
|
35 14D+2 2.66507 0.84708 0.00000 1.84049 0.00000
|
|
36 14D-2 0.38523 1.24896 0.00000 0.60563 0.00000
|
|
37 15D 0 0.62700 0.24325 0.00000 -0.23714 0.00000
|
|
38 15D+1 0.00000 0.00000 0.02260 0.00000 0.07109
|
|
39 15D-1 0.00000 0.00000 0.44077 0.00000 -0.14356
|
|
40 15D+2 0.94968 0.24463 0.00000 0.91048 0.00000
|
|
41 15D-2 -0.09661 0.71966 0.00000 0.13487 0.00000
|
|
42 16F 0 0.00000 0.00000 -0.06184 0.00000 0.13008
|
|
43 16F+1 -0.08044 -0.02796 0.00000 -0.05648 0.00000
|
|
44 16F-1 0.19983 0.02450 0.00000 0.00829 0.00000
|
|
45 16F+2 0.00000 0.00000 -0.06298 0.00000 0.16342
|
|
46 16F-2 0.00000 0.00000 -0.01325 0.00000 0.03457
|
|
47 16F+3 -0.00961 -0.18038 0.00000 -0.14669 0.00000
|
|
48 16F-3 0.22734 0.06089 0.00000 0.00185 0.00000
|
|
49 17F 0 0.00000 0.00000 0.20125 0.00000 -0.34811
|
|
50 17F+1 0.75057 0.17066 0.00000 0.26883 0.00000
|
|
51 17F-1 -0.24201 -0.19062 0.00000 -0.29760 0.00000
|
|
52 17F+2 0.00000 0.00000 0.20030 0.00000 -0.42895
|
|
53 17F-2 0.00000 0.00000 -0.03507 0.00000 -0.03515
|
|
54 17F+3 -0.21397 0.65112 0.00000 0.34359 0.00000
|
|
55 17F-3 -0.37292 -0.17184 0.00000 -0.15266 0.00000
|
|
56 18F 0 0.00000 0.00000 0.33199 0.00000 -0.32176
|
|
57 18F+1 0.18489 0.15254 0.00000 0.18899 0.00000
|
|
58 18F-1 -0.52349 -0.14084 0.00000 -0.08184 0.00000
|
|
59 18F+2 0.00000 0.00000 0.29419 0.00000 -0.55888
|
|
60 18F-2 0.00000 0.00000 -0.03597 0.00000 -0.09702
|
|
61 18F+3 -0.01854 0.64747 0.00000 0.27264 0.00000
|
|
62 18F-3 -0.54402 -0.08195 0.00000 -0.10141 0.00000
|
|
63 19G 0 -0.04254 -0.03917 0.00000 -0.00475 0.00000
|
|
64 19G+1 0.00000 0.00000 -0.02404 0.00000 0.05705
|
|
65 19G-1 0.00000 0.00000 -0.03032 0.00000 0.05279
|
|
66 19G+2 -0.16354 -0.03167 0.00000 -0.07614 0.00000
|
|
67 19G-2 0.22093 -0.03635 0.00000 -0.01192 0.00000
|
|
68 19G+3 0.00000 0.00000 -0.02973 0.00000 0.00426
|
|
69 19G-3 0.00000 0.00000 -0.02974 0.00000 0.04633
|
|
70 19G+4 -0.12850 -0.00163 0.00000 -0.06200 0.00000
|
|
71 19G-4 -0.12124 -0.06947 0.00000 -0.08314 0.00000
|
|
72 20G 0 -0.54144 0.02537 0.00000 -0.02682 0.00000
|
|
73 20G+1 0.00000 0.00000 0.01984 0.00000 0.15919
|
|
74 20G-1 0.00000 0.00000 -0.18604 0.00000 0.62635
|
|
75 20G+2 -0.90687 0.11081 0.00000 -0.36832 0.00000
|
|
76 20G-2 0.56441 -0.12412 0.00000 -0.15635 0.00000
|
|
77 20G+3 0.00000 0.00000 0.19487 0.00000 0.06529
|
|
78 20G-3 0.00000 0.00000 -0.17540 0.00000 0.58686
|
|
79 20G+4 -0.49338 -0.31234 0.00000 -0.10901 0.00000
|
|
80 20G-4 -0.51380 -0.45498 0.00000 -0.65485 0.00000
|
|
81 21H 0 0.00000 0.00000 -0.03717 0.00000 0.16082
|
|
82 21H+1 -0.11539 0.02948 0.00000 -0.05712 0.00000
|
|
83 21H-1 0.28091 -0.01666 0.00000 0.01950 0.00000
|
|
84 21H+2 0.00000 0.00000 -0.03341 0.00000 0.19809
|
|
85 21H-2 0.00000 0.00000 -0.05959 0.00000 0.04662
|
|
86 21H+3 -0.18010 -0.07229 0.00000 -0.11300 0.00000
|
|
87 21H-3 0.19099 0.04033 0.00000 -0.05026 0.00000
|
|
88 21H+4 0.00000 0.00000 -0.05260 0.00000 0.15112
|
|
89 21H-4 0.00000 0.00000 -0.02852 0.00000 0.02655
|
|
90 21H+5 -0.05955 -0.15979 0.00000 -0.14390 0.00000
|
|
91 21H-5 0.28760 0.07871 0.00000 0.07792 0.00000
|
|
92 2 O 1S 0.02204 0.00246 0.00000 -0.01103 0.00000
|
|
93 2S -0.10233 0.16564 0.00000 0.10235 0.00000
|
|
94 3S -0.48652 1.04409 0.00000 0.74840 0.00000
|
|
95 4S -1.06845 -1.21599 0.00000 -1.96905 0.00000
|
|
96 5S 7.45771 -5.26896 0.00000 0.88270 0.00000
|
|
97 6S 3.23555 -2.21528 0.00000 2.86049 0.00000
|
|
98 7PX -0.13197 0.34210 0.00000 0.31503 0.00000
|
|
99 7PY 0.42974 -0.09067 0.00000 0.33757 0.00000
|
|
100 7PZ 0.00000 0.00000 0.34782 0.00000 0.03093
|
|
101 8PX 0.12636 -0.24317 0.00000 -0.76713 0.00000
|
|
102 8PY -1.49118 -0.04726 0.00000 -1.33708 0.00000
|
|
103 8PZ 0.00000 0.00000 -1.23383 0.00000 -0.36593
|
|
104 9PX 0.49127 -3.33670 0.00000 0.12875 0.00000
|
|
105 9PY 3.90431 1.44365 0.00000 3.30983 0.00000
|
|
106 9PZ 0.00000 0.00000 2.70261 0.00000 1.60652
|
|
107 10PX 1.99631 -2.45004 0.00000 0.73287 0.00000
|
|
108 10PY 1.64078 1.33259 0.00000 4.79516 0.00000
|
|
109 10PZ 0.00000 0.00000 2.31920 0.00000 -0.48386
|
|
110 11PX 0.15147 -0.20505 0.00000 -0.05710 0.00000
|
|
111 11PY 0.19811 0.13167 0.00000 0.47810 0.00000
|
|
112 11PZ 0.00000 0.00000 -0.09379 0.00000 0.00209
|
|
113 12D 0 -0.05144 0.71046 0.00000 -0.83324 0.00000
|
|
114 12D+1 0.00000 0.00000 1.23484 0.00000 0.07332
|
|
115 12D-1 0.00000 0.00000 0.48986 0.00000 -1.41797
|
|
116 12D+2 0.36775 -0.40945 0.00000 -0.01994 0.00000
|
|
117 12D-2 0.06740 0.23474 0.00000 1.03940 0.00000
|
|
118 13D 0 0.15802 -0.59140 0.00000 1.04186 0.00000
|
|
119 13D+1 0.00000 0.00000 -1.75553 0.00000 -0.38072
|
|
120 13D-1 0.00000 0.00000 -0.47646 0.00000 1.90238
|
|
121 13D+2 -0.07758 0.40267 0.00000 -0.14748 0.00000
|
|
122 13D-2 -0.09333 -0.22100 0.00000 -1.57530 0.00000
|
|
123 14D 0 -1.17983 1.29264 0.00000 -0.65679 0.00000
|
|
124 14D+1 0.00000 0.00000 3.52225 0.00000 2.23992
|
|
125 14D-1 0.00000 0.00000 -0.24618 0.00000 -2.54813
|
|
126 14D+2 -0.94486 -2.25232 0.00000 0.63459 0.00000
|
|
127 14D-2 0.18080 1.42482 0.00000 3.79982 0.00000
|
|
128 15D 0 -0.30558 0.36326 0.00000 -0.23251 0.00000
|
|
129 15D+1 0.00000 0.00000 0.64686 0.00000 0.67214
|
|
130 15D-1 0.00000 0.00000 0.14853 0.00000 -1.05685
|
|
131 15D+2 0.76012 -1.11261 0.00000 -0.75887 0.00000
|
|
132 15D-2 0.37328 0.99926 0.00000 1.53308 0.00000
|
|
133 16F 0 0.00000 0.00000 0.57910 0.00000 0.20922
|
|
134 16F+1 -0.17376 0.21160 0.00000 0.18793 0.00000
|
|
135 16F-1 0.43707 -0.05693 0.00000 0.24857 0.00000
|
|
136 16F+2 0.00000 0.00000 -0.48565 0.00000 -0.57486
|
|
137 16F-2 0.00000 0.00000 0.34272 0.00000 0.29274
|
|
138 16F+3 0.35392 0.23931 0.00000 -0.49338 0.00000
|
|
139 16F-3 0.67966 0.46844 0.00000 -0.25365 0.00000
|
|
140 17F 0 0.00000 0.00000 -1.07668 0.00000 -0.63673
|
|
141 17F+1 0.05064 0.21156 0.00000 -0.14088 0.00000
|
|
142 17F-1 -0.63333 -0.12773 0.00000 -0.52433 0.00000
|
|
143 17F+2 0.00000 0.00000 0.99716 0.00000 1.10017
|
|
144 17F-2 0.00000 0.00000 -0.70810 0.00000 -0.64319
|
|
145 17F+3 -0.11843 -0.55013 0.00000 1.04546 0.00000
|
|
146 17F-3 -1.00569 -0.03979 0.00000 0.84948 0.00000
|
|
147 18F 0 0.00000 0.00000 -0.89866 0.00000 0.01549
|
|
148 18F+1 -0.18914 0.20528 0.00000 -0.21590 0.00000
|
|
149 18F-1 0.06586 0.04355 0.00000 -0.53399 0.00000
|
|
150 18F+2 0.00000 0.00000 0.45933 0.00000 1.23166
|
|
151 18F-2 0.00000 0.00000 -0.45318 0.00000 -0.42586
|
|
152 18F+3 -0.00413 -1.16656 0.00000 0.07566 0.00000
|
|
153 18F-3 0.55806 -0.04583 0.00000 0.30850 0.00000
|
|
154 19G 0 0.10336 -0.09197 0.00000 -0.09816 0.00000
|
|
155 19G+1 0.00000 0.00000 -0.06082 0.00000 -0.15566
|
|
156 19G-1 0.00000 0.00000 0.10823 0.00000 -0.13102
|
|
157 19G+2 0.01552 0.20808 0.00000 -0.02164 0.00000
|
|
158 19G-2 -0.04672 -0.13594 0.00000 -0.03933 0.00000
|
|
159 19G+3 0.00000 0.00000 0.07289 0.00000 0.09022
|
|
160 19G-3 0.00000 0.00000 -0.01207 0.00000 -0.25530
|
|
161 19G+4 0.75031 0.07146 0.00000 0.11435 0.00000
|
|
162 19G-4 -0.07577 0.71378 0.00000 0.29930 0.00000
|
|
163 20G 0 0.03886 -0.09872 0.00000 0.10918 0.00000
|
|
164 20G+1 0.00000 0.00000 -0.74855 0.00000 -0.52588
|
|
165 20G-1 0.00000 0.00000 0.07050 0.00000 0.57609
|
|
166 20G+2 0.05304 0.04309 0.00000 -0.10447 0.00000
|
|
167 20G-2 0.03084 -0.06975 0.00000 -0.39640 0.00000
|
|
168 20G+3 0.00000 0.00000 0.34863 0.00000 0.27675
|
|
169 20G-3 0.00000 0.00000 -0.63672 0.00000 -0.07061
|
|
170 20G+4 -0.43624 -0.16596 0.00000 0.95519 0.00000
|
|
171 20G-4 -0.10892 -0.61600 0.00000 -0.07252 0.00000
|
|
172 21H 0 0.00000 0.00000 0.28593 0.00000 0.13204
|
|
173 21H+1 -0.01328 -0.03770 0.00000 0.03427 0.00000
|
|
174 21H-1 0.04977 -0.00954 0.00000 0.09142 0.00000
|
|
175 21H+2 0.00000 0.00000 -0.25158 0.00000 -0.32931
|
|
176 21H-2 0.00000 0.00000 0.18598 0.00000 0.17489
|
|
177 21H+3 0.02902 0.09530 0.00000 -0.11862 0.00000
|
|
178 21H-3 0.05228 -0.01185 0.00000 -0.10173 0.00000
|
|
179 21H+4 0.00000 0.00000 0.13563 0.00000 -0.02167
|
|
180 21H-4 0.00000 0.00000 -0.30900 0.00000 -0.22875
|
|
181 21H+5 -0.02914 0.06066 0.00000 0.57447 0.00000
|
|
182 21H-5 -0.07343 0.02190 0.00000 0.06221 0.00000
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|
183 3 H 1S 0.40114 -0.06403 0.00000 0.04712 0.00000
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|
184 2S -1.56629 0.35393 0.00000 -0.02206 0.00000
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|
185 3S -0.39644 -0.79708 0.00000 -3.51810 0.00000
|
|
186 4S -0.74391 -0.80511 0.00000 -2.38374 0.00000
|
|
187 5S 0.06244 -0.08066 0.00000 0.19819 0.00000
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|
188 6PX 0.41595 -0.06692 0.00000 0.05080 0.00000
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|
189 6PY -0.16584 0.08545 0.00000 0.03026 0.00000
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|
190 6PZ 0.00000 0.00000 -0.01973 0.00000 -0.00483
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|
191 7PX -1.09787 0.22472 0.00000 -0.10785 0.00000
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|
192 7PY 0.44476 -0.19329 0.00000 -0.06274 0.00000
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|
193 7PZ 0.00000 0.00000 0.04856 0.00000 0.02443
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|
194 8PX 0.05844 -0.75341 0.00000 -1.65335 0.00000
|
|
195 8PY -0.59387 0.07290 0.00000 0.50446 0.00000
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|
196 8PZ 0.00000 0.00000 0.00965 0.00000 -0.25684
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|
197 9PX -0.21835 -0.43692 0.00000 -0.94355 0.00000
|
|
198 9PY -0.26344 0.31282 0.00000 0.33623 0.00000
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|
199 9PZ 0.00000 0.00000 -0.11328 0.00000 -0.12722
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|
200 10D 0 0.09778 -0.02619 0.00000 -0.01519 0.00000
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|
201 10D+1 0.00000 0.00000 0.00621 0.00000 0.03354
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|
202 10D-1 0.00000 0.00000 0.00665 0.00000 -0.00070
|
|
203 10D+2 -0.08819 0.05048 0.00000 0.02239 0.00000
|
|
204 10D-2 0.14125 -0.01431 0.00000 -0.01868 0.00000
|
|
205 11D 0 0.02238 0.02313 0.00000 0.13747 0.00000
|
|
206 11D+1 0.00000 0.00000 0.02383 0.00000 -0.11716
|
|
207 11D-1 0.00000 0.00000 -0.03750 0.00000 0.00739
|
|
208 11D+2 -0.17334 -0.17606 0.00000 -0.27314 0.00000
|
|
209 11D-2 -0.13516 -0.01141 0.00000 0.13671 0.00000
|
|
210 12D 0 -0.18751 0.22575 0.00000 0.18096 0.00000
|
|
211 12D+1 0.00000 0.00000 -0.07258 0.00000 -0.16943
|
|
212 12D-1 0.00000 0.00000 -0.02854 0.00000 -0.02288
|
|
213 12D+2 -0.09747 -0.14428 0.00000 -0.17662 0.00000
|
|
214 12D-2 -0.35075 0.20740 0.00000 0.14672 0.00000
|
|
215 13F 0 0.00000 0.00000 -0.01203 0.00000 -0.00584
|
|
216 13F+1 0.06256 -0.01996 0.00000 0.03790 0.00000
|
|
217 13F-1 -0.01745 0.01313 0.00000 0.00664 0.00000
|
|
218 13F+2 0.00000 0.00000 0.00778 0.00000 -0.00824
|
|
219 13F-2 0.00000 0.00000 -0.01170 0.00000 0.00509
|
|
220 13F+3 -0.05877 -0.04389 0.00000 -0.04084 0.00000
|
|
221 13F-3 0.04187 0.01792 0.00000 0.03832 0.00000
|
|
222 14F 0 0.00000 0.00000 0.02423 0.00000 0.05270
|
|
223 14F+1 -0.07854 0.06471 0.00000 -0.00101 0.00000
|
|
224 14F-1 0.09099 -0.03950 0.00000 -0.05736 0.00000
|
|
225 14F+2 0.00000 0.00000 -0.02617 0.00000 -0.06687
|
|
226 14F-2 0.00000 0.00000 -0.01734 0.00000 0.00348
|
|
227 14F+3 -0.09546 -0.01043 0.00000 -0.02743 0.00000
|
|
228 14F-3 -0.09085 0.07051 0.00000 0.00100 0.00000
|
|
229 15G 0 0.00652 -0.00579 0.00000 -0.01001 0.00000
|
|
230 15G+1 0.00000 0.00000 0.00646 0.00000 0.00444
|
|
231 15G-1 0.00000 0.00000 -0.00549 0.00000 -0.01376
|
|
232 15G+2 0.03674 -0.00333 0.00000 0.00012 0.00000
|
|
233 15G-2 0.02477 -0.00734 0.00000 -0.01558 0.00000
|
|
234 15G+3 0.00000 0.00000 -0.00079 0.00000 -0.01658
|
|
235 15G-3 0.00000 0.00000 -0.01180 0.00000 0.00270
|
|
236 15G+4 -0.04326 -0.00504 0.00000 -0.01826 0.00000
|
|
237 15G-4 0.01798 0.04028 0.00000 0.00258 0.00000
|
|
238 4 H 1S 0.13617 -0.59478 0.00000 -0.16549 0.00000
|
|
239 2S -0.01712 0.41819 0.00000 -0.02316 0.00000
|
|
240 3S -2.37432 8.01693 0.00000 2.42421 0.00000
|
|
241 4S -0.72775 2.41127 0.00000 0.37520 0.00000
|
|
242 5S 0.01011 0.09533 0.00000 0.09596 0.00000
|
|
243 6PX -0.16257 0.68899 0.00000 0.32649 0.00000
|
|
244 6PY -0.00060 -0.22353 0.00000 0.34684 0.00000
|
|
245 6PZ 0.00000 0.00000 0.41631 0.00000 0.37182
|
|
246 7PX 0.37531 -1.09472 0.00000 -0.49243 0.00000
|
|
247 7PY 0.23326 0.42636 0.00000 -0.68915 0.00000
|
|
248 7PZ 0.00000 0.00000 -0.82298 0.00000 -0.68112
|
|
249 8PX 0.65849 -4.09663 0.00000 -2.21628 0.00000
|
|
250 8PY -1.05042 2.17548 0.00000 -2.37991 0.00000
|
|
251 8PZ 0.00000 0.00000 -3.09833 0.00000 -2.44751
|
|
252 9PX 0.35216 -1.54596 0.00000 -0.52084 0.00000
|
|
253 9PY -0.30837 0.97736 0.00000 -0.31345 0.00000
|
|
254 9PZ 0.00000 0.00000 -0.44867 0.00000 -0.37907
|
|
255 10D 0 0.00951 0.02989 0.00000 -0.00828 0.00000
|
|
256 10D+1 0.00000 0.00000 -0.02579 0.00000 -0.05718
|
|
257 10D-1 0.00000 0.00000 0.01443 0.00000 0.01023
|
|
258 10D+2 -0.19210 -0.07180 0.00000 -0.06332 0.00000
|
|
259 10D-2 -0.11207 0.02129 0.00000 0.00252 0.00000
|
|
260 11D 0 0.19640 -0.86888 0.00000 -0.22690 0.00000
|
|
261 11D+1 0.00000 0.00000 2.07036 0.00000 1.74293
|
|
262 11D-1 0.00000 0.00000 -0.68769 0.00000 -0.53368
|
|
263 11D+2 -0.00024 0.98285 0.00000 1.68290 0.00000
|
|
264 11D-2 0.28866 -1.03182 0.00000 1.45680 0.00000
|
|
265 12D 0 -0.00424 -0.54829 0.00000 -0.11526 0.00000
|
|
266 12D+1 0.00000 0.00000 1.18590 0.00000 0.92733
|
|
267 12D-1 0.00000 0.00000 -0.41116 0.00000 -0.26894
|
|
268 12D+2 0.17636 0.36611 0.00000 0.89926 0.00000
|
|
269 12D-2 0.32784 -0.83260 0.00000 0.78597 0.00000
|
|
270 13F 0 0.00000 0.00000 0.39453 0.00000 0.38019
|
|
271 13F+1 -0.07096 0.30591 0.00000 0.17521 0.00000
|
|
272 13F-1 0.07130 -0.08588 0.00000 0.13791 0.00000
|
|
273 13F+2 0.00000 0.00000 -0.42124 0.00000 -0.37691
|
|
274 13F-2 0.00000 0.00000 0.29687 0.00000 0.27434
|
|
275 13F+3 0.05723 -0.20478 0.00000 -0.62354 0.00000
|
|
276 13F-3 -0.17813 0.27684 0.00000 -0.30530 0.00000
|
|
277 14F 0 0.00000 0.00000 0.57405 0.00000 0.45263
|
|
278 14F+1 0.02958 0.27055 0.00000 0.11669 0.00000
|
|
279 14F-1 0.00260 -0.12408 0.00000 0.20097 0.00000
|
|
280 14F+2 0.00000 0.00000 -0.56000 0.00000 -0.53679
|
|
281 14F-2 0.00000 0.00000 0.45603 0.00000 0.31858
|
|
282 14F+3 -0.19137 -0.05779 0.00000 -0.79776 0.00000
|
|
283 14F-3 -0.06034 0.26200 0.00000 -0.38866 0.00000
|
|
284 15G 0 0.00534 0.13213 0.00000 0.04651 0.00000
|
|
285 15G+1 0.00000 0.00000 -0.18369 0.00000 -0.24569
|
|
286 15G-1 0.00000 0.00000 0.06318 0.00000 0.07004
|
|
287 15G+2 -0.03626 -0.17803 0.00000 -0.12970 0.00000
|
|
288 15G-2 -0.09738 0.06862 0.00000 -0.06226 0.00000
|
|
289 15G+3 0.00000 0.00000 0.09803 0.00000 0.12957
|
|
290 15G-3 0.00000 0.00000 -0.13678 0.00000 -0.17032
|
|
291 15G+4 0.16070 0.16097 0.00000 0.32628 0.00000
|
|
292 15G-4 0.19647 -0.16352 0.00000 0.01992 0.00000
|
|
293 5 H 1S 0.29679 0.00566 -0.02200 -0.02248 0.01581
|
|
294 2S -1.07628 -0.00826 0.12182 0.10815 0.01087
|
|
295 3S -0.97264 -0.14877 -0.14358 -0.04831 -1.18283
|
|
296 4S -0.58476 -0.59238 -0.12402 0.45088 -0.98724
|
|
297 5S 0.01175 -0.01449 -0.07626 -0.05816 0.11145
|
|
298 6PX -0.14801 0.00444 0.01865 0.01224 0.00219
|
|
299 6PY -0.06133 -0.04971 -0.00970 0.00152 0.00426
|
|
300 6PZ -0.28085 0.01807 0.01464 0.02378 -0.02632
|
|
301 7PX 0.37006 0.00766 -0.05714 -0.03962 -0.02881
|
|
302 7PY 0.22127 0.09494 0.00439 -0.00033 -0.02318
|
|
303 7PZ 0.71843 -0.03226 -0.04715 -0.05998 0.02943
|
|
304 8PX 0.40178 -0.12487 0.05560 0.25351 0.40775
|
|
305 8PY -0.40972 0.01187 0.08652 -0.31389 0.56496
|
|
306 8PZ 0.34550 0.11417 -0.05974 0.02394 0.41789
|
|
307 9PX 0.23531 0.07111 0.09916 -0.06070 0.28748
|
|
308 9PY -0.07177 -0.07120 -0.12682 -0.32370 0.28541
|
|
309 9PZ 0.13706 0.25254 -0.02908 -0.00034 0.30266
|
|
310 10D 0 -0.05033 0.00397 -0.00694 -0.01168 0.00850
|
|
311 10D+1 -0.03989 -0.01557 0.01086 0.02430 0.01256
|
|
312 10D-1 -0.10021 -0.00946 0.01029 -0.01775 0.03936
|
|
313 10D+2 0.01166 -0.01782 -0.00447 0.00522 0.02569
|
|
314 10D-2 -0.06847 -0.00472 -0.00213 -0.00450 0.02494
|
|
315 11D 0 -0.14982 -0.00234 0.05003 0.03489 -0.02200
|
|
316 11D+1 -0.22367 0.05076 0.00671 -0.08578 -0.05272
|
|
317 11D-1 0.10899 -0.00376 -0.01375 0.11332 -0.20210
|
|
318 11D+2 -0.16002 0.08503 0.03915 -0.05079 -0.04442
|
|
319 11D-2 0.08113 -0.00310 0.01345 0.02509 -0.12872
|
|
320 12D 0 -0.01513 -0.15500 0.00456 -0.05068 0.07854
|
|
321 12D+1 -0.11325 0.00179 -0.00826 -0.07848 -0.11845
|
|
322 12D-1 0.23359 0.00977 0.04542 0.15095 -0.20910
|
|
323 12D+2 -0.16165 -0.07117 -0.11199 -0.16096 0.08433
|
|
324 12D-2 0.06721 -0.02722 0.00314 0.08777 -0.14379
|
|
325 13F 0 0.03348 -0.00870 -0.00839 -0.00168 -0.00370
|
|
326 13F+1 0.05869 -0.00766 -0.01017 0.00321 0.01351
|
|
327 13F-1 0.04625 -0.01070 -0.01500 -0.01443 0.02447
|
|
328 13F+2 0.04456 -0.01776 -0.01593 0.00634 -0.01073
|
|
329 13F-2 0.04177 0.00033 -0.00322 -0.00255 0.01490
|
|
330 13F+3 0.02522 -0.00705 -0.00812 0.00221 -0.00966
|
|
331 13F-3 0.02529 -0.02090 -0.01512 0.00390 0.02746
|
|
332 14F 0 0.00580 0.05921 0.00169 0.00135 -0.03931
|
|
333 14F+1 0.03453 0.00187 -0.00046 0.02509 -0.02414
|
|
334 14F-1 -0.06836 0.00011 -0.00258 -0.05237 0.05598
|
|
335 14F+2 0.09701 0.00092 0.03603 0.05673 -0.01713
|
|
336 14F-2 -0.08346 0.01042 -0.02684 -0.03741 0.10009
|
|
337 14F+3 0.04263 -0.00797 0.02672 0.03755 -0.01259
|
|
338 14F-3 0.01135 0.03482 0.01577 -0.01168 -0.00177
|
|
339 15G 0 -0.00255 -0.01548 -0.00718 -0.00382 0.01184
|
|
340 15G+1 -0.02609 -0.00140 0.00226 -0.00222 -0.00004
|
|
341 15G-1 -0.02376 0.00649 0.00709 0.01356 -0.00482
|
|
342 15G+2 -0.02778 0.00061 -0.00402 -0.00756 0.01391
|
|
343 15G-2 -0.00547 -0.00378 0.01033 0.01001 -0.01720
|
|
344 15G+3 -0.03325 -0.00160 -0.01226 -0.01441 0.02041
|
|
345 15G-3 -0.03377 0.00006 0.00439 0.00119 -0.01474
|
|
346 15G+4 0.00485 0.00403 -0.00135 -0.00807 0.00215
|
|
347 15G-4 -0.01965 0.00287 0.00011 0.00397 -0.00217
|
|
348 6 H 1S 0.29679 0.00566 0.02200 -0.02248 -0.01581
|
|
349 2S -1.07628 -0.00826 -0.12182 0.10815 -0.01087
|
|
350 3S -0.97264 -0.14877 0.14358 -0.04831 1.18283
|
|
351 4S -0.58476 -0.59238 0.12402 0.45088 0.98724
|
|
352 5S 0.01175 -0.01449 0.07626 -0.05816 -0.11145
|
|
353 6PX -0.14801 0.00444 -0.01865 0.01224 -0.00219
|
|
354 6PY -0.06133 -0.04971 0.00970 0.00152 -0.00426
|
|
355 6PZ 0.28085 -0.01807 0.01464 -0.02378 -0.02632
|
|
356 7PX 0.37006 0.00766 0.05714 -0.03962 0.02881
|
|
357 7PY 0.22127 0.09494 -0.00439 -0.00033 0.02318
|
|
358 7PZ -0.71843 0.03226 -0.04715 0.05998 0.02943
|
|
359 8PX 0.40178 -0.12487 -0.05560 0.25351 -0.40775
|
|
360 8PY -0.40972 0.01187 -0.08652 -0.31389 -0.56496
|
|
361 8PZ -0.34550 -0.11417 -0.05974 -0.02394 0.41789
|
|
362 9PX 0.23531 0.07111 -0.09916 -0.06070 -0.28748
|
|
363 9PY -0.07177 -0.07120 0.12682 -0.32370 -0.28541
|
|
364 9PZ -0.13706 -0.25254 -0.02908 0.00034 0.30266
|
|
365 10D 0 -0.05033 0.00397 0.00694 -0.01168 -0.00850
|
|
366 10D+1 0.03989 0.01557 0.01086 -0.02430 0.01256
|
|
367 10D-1 0.10021 0.00946 0.01029 0.01775 0.03936
|
|
368 10D+2 0.01166 -0.01782 0.00447 0.00522 -0.02569
|
|
369 10D-2 -0.06847 -0.00472 0.00213 -0.00450 -0.02494
|
|
370 11D 0 -0.14982 -0.00234 -0.05003 0.03489 0.02200
|
|
371 11D+1 0.22367 -0.05076 0.00671 0.08578 -0.05272
|
|
372 11D-1 -0.10899 0.00376 -0.01375 -0.11332 -0.20210
|
|
373 11D+2 -0.16002 0.08503 -0.03915 -0.05079 0.04442
|
|
374 11D-2 0.08113 -0.00310 -0.01345 0.02509 0.12872
|
|
375 12D 0 -0.01513 -0.15500 -0.00456 -0.05068 -0.07854
|
|
376 12D+1 0.11325 -0.00179 -0.00826 0.07848 -0.11845
|
|
377 12D-1 -0.23359 -0.00977 0.04542 -0.15095 -0.20910
|
|
378 12D+2 -0.16165 -0.07117 0.11199 -0.16096 -0.08433
|
|
379 12D-2 0.06721 -0.02722 -0.00314 0.08777 0.14379
|
|
380 13F 0 -0.03348 0.00870 -0.00839 0.00168 -0.00370
|
|
381 13F+1 0.05869 -0.00766 0.01017 0.00321 -0.01351
|
|
382 13F-1 0.04625 -0.01070 0.01500 -0.01443 -0.02447
|
|
383 13F+2 -0.04456 0.01776 -0.01593 -0.00634 -0.01073
|
|
384 13F-2 -0.04177 -0.00033 -0.00322 0.00255 0.01490
|
|
385 13F+3 0.02522 -0.00705 0.00812 0.00221 0.00966
|
|
386 13F-3 0.02529 -0.02090 0.01512 0.00390 -0.02746
|
|
387 14F 0 -0.00580 -0.05921 0.00169 -0.00135 -0.03931
|
|
388 14F+1 0.03453 0.00187 0.00046 0.02509 0.02414
|
|
389 14F-1 -0.06836 0.00011 0.00258 -0.05237 -0.05598
|
|
390 14F+2 -0.09701 -0.00092 0.03603 -0.05673 -0.01713
|
|
391 14F-2 0.08346 -0.01042 -0.02684 0.03741 0.10009
|
|
392 14F+3 0.04263 -0.00797 -0.02672 0.03755 0.01259
|
|
393 14F-3 0.01135 0.03482 -0.01577 -0.01168 0.00177
|
|
394 15G 0 -0.00255 -0.01548 0.00718 -0.00382 -0.01184
|
|
395 15G+1 0.02609 0.00140 0.00226 0.00222 -0.00004
|
|
396 15G-1 0.02376 -0.00649 0.00709 -0.01356 -0.00482
|
|
397 15G+2 -0.02778 0.00061 0.00402 -0.00756 -0.01391
|
|
398 15G-2 -0.00547 -0.00378 -0.01033 0.01001 0.01720
|
|
399 15G+3 0.03325 0.00160 -0.01226 0.01441 0.02041
|
|
400 15G-3 0.03377 -0.00006 0.00439 -0.00119 -0.01474
|
|
401 15G+4 0.00485 0.00403 0.00135 -0.00807 -0.00215
|
|
402 15G-4 -0.01965 0.00287 -0.00011 0.00397 0.00217
|
|
396 397 398 399 400
|
|
V V V V V
|
|
Eigenvalues -- 23.47824 23.80112 24.11517 25.44481 26.14494
|
|
1 1 C 1S -0.05350 0.00000 -0.04706 0.02150 -0.01041
|
|
2 2S -0.02727 0.00000 -0.01620 0.02564 0.00188
|
|
3 3S 0.03819 0.00000 0.16408 0.08847 0.13718
|
|
4 4S 0.99538 0.00000 0.26734 -0.04908 0.58384
|
|
5 5S -1.85103 0.00000 -0.38110 -2.40548 -4.75328
|
|
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263 11D+2 -1.50343 0.00000 0.49484 0.38872 -1.80415
|
|
264 11D-2 -2.56209 0.00000 0.82880 -0.30646 1.38292
|
|
265 12D 0 0.00445 0.00000 0.16685 -0.61194 0.61427
|
|
266 12D+1 0.00000 0.53985 0.00000 0.00000 0.00000
|
|
267 12D-1 0.00000 -0.15250 0.00000 0.00000 0.00000
|
|
268 12D+2 -0.82019 0.00000 -0.22530 0.85723 -0.64009
|
|
269 12D-2 -1.16759 0.00000 0.16058 -0.65890 0.61922
|
|
270 13F 0 0.00000 0.63100 0.00000 0.00000 0.00000
|
|
271 13F+1 -0.01982 0.00000 0.06303 0.04179 -0.54084
|
|
272 13F-1 -0.26657 0.00000 0.12443 -0.01440 0.17901
|
|
273 13F+2 0.00000 -0.66757 0.00000 0.00000 0.00000
|
|
274 13F-2 0.00000 0.48013 0.00000 0.00000 0.00000
|
|
275 13F+3 0.77152 0.00000 -0.49465 -0.05179 0.43519
|
|
276 13F-3 0.67497 0.00000 -0.32134 0.04036 -0.64185
|
|
277 14F 0 0.00000 0.49911 0.00000 0.00000 0.00000
|
|
278 14F+1 -0.10873 0.00000 -0.06354 0.60674 -0.27541
|
|
279 14F-1 -0.29547 0.00000 0.11380 -0.19718 0.12338
|
|
280 14F+2 0.00000 -0.51923 0.00000 0.00000 0.00000
|
|
281 14F-2 0.00000 0.37247 0.00000 0.00000 0.00000
|
|
282 14F+3 0.92066 0.00000 -0.18275 -0.44366 0.16602
|
|
283 14F-3 0.75541 0.00000 -0.25537 0.66104 -0.30963
|
|
284 15G 0 0.01858 0.00000 -0.01362 0.19254 -0.13563
|
|
285 15G+1 0.00000 -0.55054 0.00000 0.00000 0.00000
|
|
286 15G-1 0.00000 0.17962 0.00000 0.00000 0.00000
|
|
287 15G+2 0.11842 0.00000 -0.08906 -0.23349 0.15495
|
|
288 15G-2 0.20991 0.00000 -0.14742 0.16624 -0.13091
|
|
289 15G+3 0.00000 0.30856 0.00000 0.00000 0.00000
|
|
290 15G-3 0.00000 -0.41660 0.00000 0.00000 0.00000
|
|
291 15G+4 -0.57374 0.00000 0.45884 0.12977 -0.06661
|
|
292 15G-4 -0.23793 0.00000 0.16047 -0.35117 0.27169
|
|
293 5 H 1S 0.03634 -0.00875 0.02104 0.01755 0.00935
|
|
294 2S -0.02845 0.03463 0.05965 -0.11949 -0.11519
|
|
295 3S -2.02731 0.33661 -2.33631 0.76865 1.25325
|
|
296 4S -0.31447 0.42879 -1.07297 0.60808 0.36106
|
|
297 5S 0.03506 -0.05500 0.03982 -0.07123 0.04206
|
|
298 6PX 0.00863 0.00380 0.00183 -0.01431 -0.00083
|
|
299 6PY 0.00381 0.00867 -0.00354 -0.00417 -0.02064
|
|
300 6PZ -0.00576 0.01559 0.00547 -0.01139 -0.00406
|
|
301 7PX -0.02193 -0.00968 -0.00762 0.04139 0.00903
|
|
302 7PY 0.00878 -0.01673 0.00238 0.01462 0.05730
|
|
303 7PZ 0.00888 -0.03812 -0.04105 0.03932 0.02873
|
|
304 8PX 0.50154 -0.04148 0.37035 -0.21353 -0.19114
|
|
305 8PY 0.08521 -0.22518 0.40502 0.04888 -0.17794
|
|
306 8PZ 0.95825 -0.04458 1.08411 -0.28716 -0.43748
|
|
307 9PX 0.15588 0.00588 0.20427 -0.20457 -0.03052
|
|
308 9PY -0.04787 -0.13793 0.12355 0.07521 -0.02828
|
|
309 9PZ 0.25284 -0.09237 0.52929 -0.22339 -0.20615
|
|
310 10D 0 0.01957 0.00399 0.03281 -0.00048 -0.00585
|
|
311 10D+1 0.02211 0.00239 0.00829 -0.00936 -0.00998
|
|
312 10D-1 -0.01264 -0.01590 0.01254 0.00675 -0.00761
|
|
313 10D+2 0.01256 -0.00982 0.00473 0.00399 0.00026
|
|
314 10D-2 -0.01687 -0.00919 -0.00160 -0.00344 -0.00011
|
|
315 11D 0 -0.14482 -0.01487 -0.15232 0.03813 0.05361
|
|
316 11D+1 -0.13307 -0.00232 -0.06947 0.04748 0.05744
|
|
317 11D-1 0.00268 0.09208 -0.10916 -0.03525 0.02983
|
|
318 11D+2 -0.05445 0.00434 0.00363 0.00685 0.02011
|
|
319 11D-2 0.04074 0.04602 -0.02247 -0.00337 -0.00151
|
|
320 12D 0 -0.16600 -0.04466 -0.21821 0.07160 0.06554
|
|
321 12D+1 -0.17980 -0.02308 -0.12013 0.08672 0.02122
|
|
322 12D-1 -0.00714 0.07347 -0.11798 -0.08546 -0.02220
|
|
323 12D+2 -0.09608 -0.05076 0.00865 0.09297 -0.02330
|
|
324 12D-2 0.06004 0.01743 -0.03205 0.03657 0.00536
|
|
325 13F 0 0.01012 0.00558 -0.00020 -0.00651 -0.00263
|
|
326 13F+1 0.01203 -0.00659 0.01268 -0.01390 -0.01306
|
|
327 13F-1 0.00411 -0.00855 0.01403 -0.00369 -0.01167
|
|
328 13F+2 0.00209 0.00873 -0.00983 0.00174 -0.00191
|
|
329 13F-2 0.00642 -0.00587 0.00560 0.00175 -0.00470
|
|
330 13F+3 0.00284 0.00353 -0.00925 -0.00526 -0.00554
|
|
331 13F-3 -0.00214 -0.00252 0.00282 0.00068 -0.00938
|
|
332 14F 0 0.02270 0.01859 0.05102 -0.02917 -0.02238
|
|
333 14F+1 0.04626 0.02491 0.00695 -0.00547 0.00199
|
|
334 14F-1 -0.00602 -0.02959 0.02914 0.04514 0.01210
|
|
335 14F+2 0.04899 0.00881 0.00012 -0.03722 -0.02011
|
|
336 14F-2 -0.04459 -0.02317 0.00784 -0.00803 0.00500
|
|
337 14F+3 0.04191 0.00027 0.01069 0.01016 0.00597
|
|
338 14F-3 -0.01905 0.00005 -0.02168 -0.00494 0.02391
|
|
339 15G 0 -0.00399 -0.00750 -0.00462 0.01137 0.00484
|
|
340 15G+1 -0.00418 -0.00051 -0.00061 0.00602 0.00141
|
|
341 15G-1 0.00744 0.00324 0.00030 -0.00750 0.00540
|
|
342 15G+2 -0.00666 -0.00528 0.00268 0.00617 0.00640
|
|
343 15G-2 0.00638 0.00488 -0.00084 0.00098 0.00235
|
|
344 15G+3 -0.01544 -0.00265 0.00104 0.00254 0.00029
|
|
345 15G-3 0.00733 0.00189 0.01204 0.00284 0.00146
|
|
346 15G+4 -0.00878 0.00042 0.00058 -0.00205 0.00092
|
|
347 15G-4 0.00473 -0.00289 0.00534 -0.00663 -0.00340
|
|
348 6 H 1S 0.03634 0.00875 0.02104 0.01755 0.00935
|
|
349 2S -0.02845 -0.03463 0.05965 -0.11949 -0.11519
|
|
350 3S -2.02731 -0.33661 -2.33631 0.76865 1.25325
|
|
351 4S -0.31447 -0.42879 -1.07297 0.60808 0.36106
|
|
352 5S 0.03506 0.05500 0.03982 -0.07123 0.04206
|
|
353 6PX 0.00863 -0.00380 0.00183 -0.01431 -0.00083
|
|
354 6PY 0.00381 -0.00867 -0.00354 -0.00417 -0.02064
|
|
355 6PZ 0.00576 0.01559 -0.00547 0.01139 0.00406
|
|
356 7PX -0.02193 0.00968 -0.00762 0.04139 0.00903
|
|
357 7PY 0.00878 0.01673 0.00238 0.01462 0.05730
|
|
358 7PZ -0.00888 -0.03812 0.04105 -0.03932 -0.02873
|
|
359 8PX 0.50154 0.04148 0.37035 -0.21353 -0.19114
|
|
360 8PY 0.08521 0.22518 0.40502 0.04888 -0.17794
|
|
361 8PZ -0.95825 -0.04458 -1.08411 0.28716 0.43748
|
|
362 9PX 0.15588 -0.00588 0.20427 -0.20457 -0.03052
|
|
363 9PY -0.04787 0.13793 0.12355 0.07521 -0.02828
|
|
364 9PZ -0.25284 -0.09237 -0.52929 0.22339 0.20615
|
|
365 10D 0 0.01957 -0.00399 0.03281 -0.00048 -0.00585
|
|
366 10D+1 -0.02211 0.00239 -0.00829 0.00936 0.00998
|
|
367 10D-1 0.01264 -0.01590 -0.01254 -0.00675 0.00761
|
|
368 10D+2 0.01256 0.00982 0.00473 0.00399 0.00026
|
|
369 10D-2 -0.01687 0.00919 -0.00160 -0.00344 -0.00011
|
|
370 11D 0 -0.14482 0.01487 -0.15232 0.03813 0.05361
|
|
371 11D+1 0.13307 -0.00232 0.06947 -0.04748 -0.05744
|
|
372 11D-1 -0.00268 0.09208 0.10916 0.03525 -0.02983
|
|
373 11D+2 -0.05445 -0.00434 0.00363 0.00685 0.02011
|
|
374 11D-2 0.04074 -0.04602 -0.02247 -0.00337 -0.00151
|
|
375 12D 0 -0.16600 0.04466 -0.21821 0.07160 0.06554
|
|
376 12D+1 0.17980 -0.02308 0.12013 -0.08672 -0.02122
|
|
377 12D-1 0.00714 0.07347 0.11798 0.08546 0.02220
|
|
378 12D+2 -0.09608 0.05076 0.00865 0.09297 -0.02330
|
|
379 12D-2 0.06004 -0.01743 -0.03205 0.03657 0.00536
|
|
380 13F 0 -0.01012 0.00558 0.00020 0.00651 0.00263
|
|
381 13F+1 0.01203 0.00659 0.01268 -0.01390 -0.01306
|
|
382 13F-1 0.00411 0.00855 0.01403 -0.00369 -0.01167
|
|
383 13F+2 -0.00209 0.00873 0.00983 -0.00174 0.00191
|
|
384 13F-2 -0.00642 -0.00587 -0.00560 -0.00175 0.00470
|
|
385 13F+3 0.00284 -0.00353 -0.00925 -0.00526 -0.00554
|
|
386 13F-3 -0.00214 0.00252 0.00282 0.00068 -0.00938
|
|
387 14F 0 -0.02270 0.01859 -0.05102 0.02917 0.02238
|
|
388 14F+1 0.04626 -0.02491 0.00695 -0.00547 0.00199
|
|
389 14F-1 -0.00602 0.02959 0.02914 0.04514 0.01210
|
|
390 14F+2 -0.04899 0.00881 -0.00012 0.03722 0.02011
|
|
391 14F-2 0.04459 -0.02317 -0.00784 0.00803 -0.00500
|
|
392 14F+3 0.04191 -0.00027 0.01069 0.01016 0.00597
|
|
393 14F-3 -0.01905 -0.00005 -0.02168 -0.00494 0.02391
|
|
394 15G 0 -0.00399 0.00750 -0.00462 0.01137 0.00484
|
|
395 15G+1 0.00418 -0.00051 0.00061 -0.00602 -0.00141
|
|
396 15G-1 -0.00744 0.00324 -0.00030 0.00750 -0.00540
|
|
397 15G+2 -0.00666 0.00528 0.00268 0.00617 0.00640
|
|
398 15G-2 0.00638 -0.00488 -0.00084 0.00098 0.00235
|
|
399 15G+3 0.01544 -0.00265 -0.00104 -0.00254 -0.00029
|
|
400 15G-3 -0.00733 0.00189 -0.01204 -0.00284 -0.00146
|
|
401 15G+4 -0.00878 -0.00042 0.00058 -0.00205 0.00092
|
|
402 15G-4 0.00473 0.00289 0.00534 -0.00663 -0.00340
|
|
401 402
|
|
V V
|
|
Eigenvalues -- 42.59284 64.99568
|
|
1 1 C 1S -2.93131 0.02066
|
|
2 2S -6.53684 0.06514
|
|
3 3S -11.37833 0.14333
|
|
4 4S 11.98064 1.29850
|
|
5 5S 30.74340 -5.61441
|
|
6 6S 5.69115 -1.03585
|
|
7 7PX 0.00533 -0.00193
|
|
8 7PY -0.06716 -0.03982
|
|
9 7PZ 0.00000 0.00000
|
|
10 8PX 0.03108 -0.01217
|
|
11 8PY -0.44830 0.06704
|
|
12 8PZ 0.00000 0.00000
|
|
13 9PX -0.58366 0.07979
|
|
14 9PY 8.02792 1.30043
|
|
15 9PZ 0.00000 0.00000
|
|
16 10PX -0.39645 0.21790
|
|
17 10PY 4.64812 2.24000
|
|
18 10PZ 0.00000 0.00000
|
|
19 11PX 0.01738 -0.04427
|
|
20 11PY 0.22705 0.21034
|
|
21 11PZ 0.00000 0.00000
|
|
22 12D 0 -0.04231 -0.01427
|
|
23 12D+1 0.00000 0.00000
|
|
24 12D-1 0.00000 0.00000
|
|
25 12D+2 -0.06622 -0.03305
|
|
26 12D-2 -0.02110 0.00783
|
|
27 13D 0 0.16528 0.04350
|
|
28 13D+1 0.00000 0.00000
|
|
29 13D-1 0.00000 0.00000
|
|
30 13D+2 0.26523 0.12616
|
|
31 13D-2 0.06105 -0.02122
|
|
32 14D 0 1.72176 0.76803
|
|
33 14D+1 0.00000 0.00000
|
|
34 14D-1 0.00000 0.00000
|
|
35 14D+2 2.77114 0.77173
|
|
36 14D-2 0.50090 0.04584
|
|
37 15D 0 0.65009 0.55930
|
|
38 15D+1 0.00000 0.00000
|
|
39 15D-1 0.00000 0.00000
|
|
40 15D+2 1.10782 0.52632
|
|
41 15D-2 0.20416 -0.02143
|
|
42 16F 0 0.00000 0.00000
|
|
43 16F+1 -0.05099 0.00138
|
|
44 16F-1 -0.01696 -0.02194
|
|
45 16F+2 0.00000 0.00000
|
|
46 16F-2 0.00000 0.00000
|
|
47 16F+3 0.01626 0.00081
|
|
48 16F-3 -0.02313 -0.01608
|
|
49 17F 0 0.00000 0.00000
|
|
50 17F+1 2.25993 -0.02061
|
|
51 17F-1 1.34695 -0.06875
|
|
52 17F+2 0.00000 0.00000
|
|
53 17F-2 0.00000 0.00000
|
|
54 17F+3 -0.84358 -0.05196
|
|
55 17F-3 1.39241 -0.21596
|
|
56 18F 0 0.00000 0.00000
|
|
57 18F+1 1.36093 -0.26645
|
|
58 18F-1 0.57339 -0.19593
|
|
59 18F+2 0.00000 0.00000
|
|
60 18F-2 0.00000 0.00000
|
|
61 18F+3 -0.47053 0.14380
|
|
62 18F-3 0.55458 -0.30881
|
|
63 19G 0 0.03562 -0.01386
|
|
64 19G+1 0.00000 0.00000
|
|
65 19G-1 0.00000 0.00000
|
|
66 19G+2 0.01313 -0.02727
|
|
67 19G-2 0.30028 0.00289
|
|
68 19G+3 0.00000 0.00000
|
|
69 19G-3 0.00000 0.00000
|
|
70 19G+4 0.09355 -0.03116
|
|
71 19G-4 -0.10339 0.01056
|
|
72 20G 0 -0.08536 0.12289
|
|
73 20G+1 0.00000 0.00000
|
|
74 20G-1 0.00000 0.00000
|
|
75 20G+2 -0.20447 0.11257
|
|
76 20G-2 0.65160 -0.15049
|
|
77 20G+3 0.00000 0.00000
|
|
78 20G-3 0.00000 0.00000
|
|
79 20G+4 -0.04383 0.18725
|
|
80 20G-4 -0.30692 0.06965
|
|
81 21H 0 0.00000 0.00000
|
|
82 21H+1 -0.02177 0.02434
|
|
83 21H-1 0.02524 -0.03434
|
|
84 21H+2 0.00000 0.00000
|
|
85 21H-2 0.00000 0.00000
|
|
86 21H+3 -0.04898 0.02819
|
|
87 21H-3 0.01697 -0.04598
|
|
88 21H+4 0.00000 0.00000
|
|
89 21H-4 0.00000 0.00000
|
|
90 21H+5 -0.00743 -0.01782
|
|
91 21H-5 0.03560 -0.05609
|
|
92 2 O 1S 0.00858 2.69760
|
|
93 2S -0.00114 5.14518
|
|
94 3S -0.13309 6.45212
|
|
95 4S 0.60982 -6.59467
|
|
96 5S -0.91516 -2.94297
|
|
97 6S -0.88811 2.43276
|
|
98 7PX 0.00738 -0.02077
|
|
99 7PY -0.07373 0.03206
|
|
100 7PZ 0.00000 0.00000
|
|
101 8PX -0.01074 0.58465
|
|
102 8PY 0.24782 -0.22705
|
|
103 8PZ 0.00000 0.00000
|
|
104 9PX -0.21319 -4.45107
|
|
105 9PY 0.12231 0.95655
|
|
106 9PZ 0.00000 0.00000
|
|
107 10PX -0.16618 -1.80954
|
|
108 10PY -0.68842 4.36901
|
|
109 10PZ 0.00000 0.00000
|
|
110 11PX -0.02463 -0.28640
|
|
111 11PY 0.01790 0.71262
|
|
112 11PZ 0.00000 0.00000
|
|
113 12D 0 0.03291 -0.10265
|
|
114 12D+1 0.00000 0.00000
|
|
115 12D-1 0.00000 0.00000
|
|
116 12D+2 0.07554 0.02740
|
|
117 12D-2 0.00455 -0.06191
|
|
118 13D 0 -0.10539 0.20364
|
|
119 13D+1 0.00000 0.00000
|
|
120 13D-1 0.00000 0.00000
|
|
121 13D+2 -0.23889 0.01768
|
|
122 13D-2 -0.01272 0.09006
|
|
123 14D 0 0.23466 0.89564
|
|
124 14D+1 0.00000 0.00000
|
|
125 14D-1 0.00000 0.00000
|
|
126 14D+2 0.33284 -1.60443
|
|
127 14D-2 0.12387 1.08838
|
|
128 15D 0 0.31917 -0.61409
|
|
129 15D+1 0.00000 0.00000
|
|
130 15D-1 0.00000 0.00000
|
|
131 15D+2 0.54179 -1.36204
|
|
132 15D-2 0.30030 0.05623
|
|
133 16F 0 0.00000 0.00000
|
|
134 16F+1 -0.00159 -0.06146
|
|
135 16F-1 -0.05566 0.01155
|
|
136 16F+2 0.00000 0.00000
|
|
137 16F-2 0.00000 0.00000
|
|
138 16F+3 -0.00031 0.04961
|
|
139 16F-3 -0.06338 -0.07636
|
|
140 17F 0 0.00000 0.00000
|
|
141 17F+1 0.01766 0.40817
|
|
142 17F-1 0.10027 -0.08483
|
|
143 17F+2 0.00000 0.00000
|
|
144 17F-2 0.00000 0.00000
|
|
145 17F+3 -0.00909 -0.33050
|
|
146 17F-3 0.12834 0.50845
|
|
147 18F 0 0.00000 0.00000
|
|
148 18F+1 -0.04410 0.08128
|
|
149 18F-1 0.20733 -0.34788
|
|
150 18F+2 0.00000 0.00000
|
|
151 18F-2 0.00000 0.00000
|
|
152 18F+3 0.03116 0.07169
|
|
153 18F-3 0.42614 -0.27893
|
|
154 19G 0 0.01285 -0.05049
|
|
155 19G+1 0.00000 0.00000
|
|
156 19G-1 0.00000 0.00000
|
|
157 19G+2 0.03167 0.03374
|
|
158 19G-2 0.00286 -0.03419
|
|
159 19G+3 0.00000 0.00000
|
|
160 19G-3 0.00000 0.00000
|
|
161 19G+4 0.03642 -0.05246
|
|
162 19G-4 -0.00982 0.06767
|
|
163 20G 0 -0.08083 -0.02987
|
|
164 20G+1 0.00000 0.00000
|
|
165 20G-1 0.00000 0.00000
|
|
166 20G+2 -0.15356 0.10741
|
|
167 20G-2 -0.00714 -0.05969
|
|
168 20G+3 0.00000 0.00000
|
|
169 20G-3 0.00000 0.00000
|
|
170 20G+4 -0.18397 0.06595
|
|
171 20G-4 0.02952 0.13025
|
|
172 21H 0 0.00000 0.00000
|
|
173 21H+1 0.00483 -0.04378
|
|
174 21H-1 -0.03568 0.01700
|
|
175 21H+2 0.00000 0.00000
|
|
176 21H-2 0.00000 0.00000
|
|
177 21H+3 -0.00164 0.02456
|
|
178 21H-3 -0.03505 -0.04171
|
|
179 21H+4 0.00000 0.00000
|
|
180 21H-4 0.00000 0.00000
|
|
181 21H+5 0.00032 0.00393
|
|
182 21H-5 -0.04313 0.06798
|
|
183 3 H 1S 0.16562 -0.00502
|
|
184 2S 0.44401 0.02509
|
|
185 3S -10.81515 0.98408
|
|
186 4S -6.01649 -0.17722
|
|
187 5S -0.20366 -0.02677
|
|
188 6PX 0.10958 -0.00437
|
|
189 6PY -0.03769 -0.00744
|
|
190 6PZ 0.00000 0.00000
|
|
191 7PX -0.15211 0.03375
|
|
192 7PY 0.06705 0.00777
|
|
193 7PZ 0.00000 0.00000
|
|
194 8PX -5.48652 0.28090
|
|
195 8PY 1.47651 0.15251
|
|
196 8PZ 0.00000 0.00000
|
|
197 9PX -3.12845 -0.10924
|
|
198 9PY 0.83542 0.03602
|
|
199 9PZ 0.00000 0.00000
|
|
200 10D 0 -0.04912 0.00037
|
|
201 10D+1 0.00000 0.00000
|
|
202 10D-1 0.00000 0.00000
|
|
203 10D+2 0.08236 -0.00406
|
|
204 10D-2 -0.03395 -0.01492
|
|
205 11D 0 0.61406 -0.01849
|
|
206 11D+1 0.00000 0.00000
|
|
207 11D-1 0.00000 0.00000
|
|
208 11D+2 -0.91463 0.08121
|
|
209 11D-2 0.53107 0.07403
|
|
210 12D 0 0.66500 0.03333
|
|
211 12D+1 0.00000 0.00000
|
|
212 12D-1 0.00000 0.00000
|
|
213 12D+2 -1.12437 -0.03056
|
|
214 12D-2 0.56612 0.18397
|
|
215 13F 0 0.00000 0.00000
|
|
216 13F+1 0.07917 -0.00303
|
|
217 13F-1 -0.02626 0.00001
|
|
218 13F+2 0.00000 0.00000
|
|
219 13F-2 0.00000 0.00000
|
|
220 13F+3 -0.05390 0.01582
|
|
221 13F-3 0.07338 -0.00745
|
|
222 14F 0 0.00000 0.00000
|
|
223 14F+1 0.19671 0.01438
|
|
224 14F-1 -0.04828 -0.01601
|
|
225 14F+2 0.00000 0.00000
|
|
226 14F-2 0.00000 0.00000
|
|
227 14F+3 -0.24410 0.01923
|
|
228 14F-3 0.20818 0.07633
|
|
229 15G 0 0.00479 -0.00595
|
|
230 15G+1 0.00000 0.00000
|
|
231 15G-1 0.00000 0.00000
|
|
232 15G+2 -0.00264 0.00180
|
|
233 15G-2 -0.00015 0.00092
|
|
234 15G+3 0.00000 0.00000
|
|
235 15G-3 0.00000 0.00000
|
|
236 15G+4 0.00114 0.00781
|
|
237 15G-4 -0.00553 0.00268
|
|
238 4 H 1S 0.01014 -0.29720
|
|
239 2S -0.08799 -0.08283
|
|
240 3S 0.63186 6.75980
|
|
241 4S 0.53621 1.63165
|
|
242 5S -0.04306 0.25485
|
|
243 6PX -0.00164 0.21132
|
|
244 6PY 0.00110 -0.05800
|
|
245 6PZ 0.00000 0.00000
|
|
246 7PX 0.03944 -0.58512
|
|
247 7PY 0.01254 0.16308
|
|
248 7PZ 0.00000 0.00000
|
|
249 8PX -0.42828 -4.53705
|
|
250 8PY -0.11785 1.32471
|
|
251 8PZ 0.00000 0.00000
|
|
252 9PX -0.35821 -1.52241
|
|
253 9PY 0.02344 0.58323
|
|
254 9PZ 0.00000 0.00000
|
|
255 10D 0 0.00316 0.00911
|
|
256 10D+1 0.00000 0.00000
|
|
257 10D-1 0.00000 0.00000
|
|
258 10D+2 -0.02655 -0.01586
|
|
259 10D-2 0.00212 0.00126
|
|
260 11D 0 -0.00757 -0.78246
|
|
261 11D+1 0.00000 0.00000
|
|
262 11D-1 0.00000 0.00000
|
|
263 11D+2 0.11524 1.14563
|
|
264 11D-2 -0.02704 -0.71734
|
|
265 12D 0 -0.08551 -0.77071
|
|
266 12D+1 0.00000 0.00000
|
|
267 12D-1 0.00000 0.00000
|
|
268 12D+2 0.17279 1.02022
|
|
269 12D-2 0.04491 -0.75890
|
|
270 13F 0 0.00000 0.00000
|
|
271 13F+1 0.00213 0.13018
|
|
272 13F-1 0.01233 -0.03630
|
|
273 13F+2 0.00000 0.00000
|
|
274 13F-2 0.00000 0.00000
|
|
275 13F+3 -0.00705 -0.12758
|
|
276 13F-3 0.01551 0.14733
|
|
277 14F 0 0.00000 0.00000
|
|
278 14F+1 0.02060 0.42215
|
|
279 14F-1 -0.02567 -0.13369
|
|
280 14F+2 0.00000 0.00000
|
|
281 14F-2 0.00000 0.00000
|
|
282 14F+3 -0.06106 -0.30054
|
|
283 14F-3 0.02446 0.40122
|
|
284 15G 0 0.00921 0.03741
|
|
285 15G+1 0.00000 0.00000
|
|
286 15G-1 0.00000 0.00000
|
|
287 15G+2 -0.00146 -0.04270
|
|
288 15G-2 0.00031 0.03097
|
|
289 15G+3 0.00000 0.00000
|
|
290 15G-3 0.00000 0.00000
|
|
291 15G+4 0.00410 0.02446
|
|
292 15G-4 -0.01233 -0.06431
|
|
293 5 H 1S 0.15324 -0.00848
|
|
294 2S 0.56509 0.09244
|
|
295 3S -10.93654 0.45175
|
|
296 4S -6.05058 -0.33064
|
|
297 5S -0.24091 0.01145
|
|
298 6PX -0.04760 0.00314
|
|
299 6PY -0.04036 -0.00757
|
|
300 6PZ -0.08892 0.00293
|
|
301 7PX 0.04441 -0.02928
|
|
302 7PY 0.03933 0.00183
|
|
303 7PZ 0.08436 -0.03245
|
|
304 8PX 2.60394 0.03572
|
|
305 8PY 2.11055 0.12807
|
|
306 8PZ 4.77812 -0.16202
|
|
307 9PX 1.46965 0.11442
|
|
308 9PY 1.16722 0.07276
|
|
309 9PZ 2.71922 0.03332
|
|
310 10D 0 0.06220 -0.00513
|
|
311 10D+1 0.07703 0.00595
|
|
312 10D-1 0.05642 0.01009
|
|
313 10D+2 0.00920 -0.00383
|
|
314 10D-2 0.02925 0.01163
|
|
315 11D 0 -0.64028 0.06295
|
|
316 11D+1 -0.80581 0.00328
|
|
317 11D-1 -0.64670 -0.02685
|
|
318 11D+2 -0.07036 0.03258
|
|
319 11D-2 -0.34646 -0.03846
|
|
320 12D 0 -0.78438 0.02415
|
|
321 12D+1 -0.94016 -0.04928
|
|
322 12D-1 -0.71882 -0.10963
|
|
323 12D+2 -0.13768 -0.04100
|
|
324 12D-2 -0.40138 -0.08074
|
|
325 13F 0 0.01168 -0.00656
|
|
326 13F+1 0.08333 -0.00387
|
|
327 13F-1 0.06868 -0.01591
|
|
328 13F+2 0.00531 -0.00532
|
|
329 13F-2 0.06971 -0.00357
|
|
330 13F+3 -0.01496 -0.00186
|
|
331 13F-3 0.01226 -0.01357
|
|
332 14F 0 0.07569 -0.02386
|
|
333 14F+1 0.25185 0.00780
|
|
334 14F-1 0.20760 0.03123
|
|
335 14F+2 0.06189 0.00126
|
|
336 14F-2 0.20189 0.02490
|
|
337 14F+3 -0.01063 -0.01613
|
|
338 14F-3 0.05910 0.04167
|
|
339 15G 0 -0.00113 0.00432
|
|
340 15G+1 -0.00094 -0.00308
|
|
341 15G-1 0.00038 0.00402
|
|
342 15G+2 0.00000 -0.00191
|
|
343 15G-2 -0.00488 0.00499
|
|
344 15G+3 -0.00096 0.00326
|
|
345 15G-3 0.00096 0.00063
|
|
346 15G+4 -0.00067 0.00249
|
|
347 15G-4 0.00249 0.00074
|
|
348 6 H 1S 0.15324 -0.00848
|
|
349 2S 0.56509 0.09244
|
|
350 3S -10.93654 0.45175
|
|
351 4S -6.05058 -0.33064
|
|
352 5S -0.24091 0.01145
|
|
353 6PX -0.04760 0.00314
|
|
354 6PY -0.04036 -0.00757
|
|
355 6PZ 0.08892 -0.00293
|
|
356 7PX 0.04441 -0.02928
|
|
357 7PY 0.03933 0.00183
|
|
358 7PZ -0.08436 0.03245
|
|
359 8PX 2.60394 0.03572
|
|
360 8PY 2.11055 0.12807
|
|
361 8PZ -4.77812 0.16202
|
|
362 9PX 1.46965 0.11442
|
|
363 9PY 1.16722 0.07276
|
|
364 9PZ -2.71922 -0.03332
|
|
365 10D 0 0.06220 -0.00513
|
|
366 10D+1 -0.07703 -0.00595
|
|
367 10D-1 -0.05642 -0.01009
|
|
368 10D+2 0.00920 -0.00383
|
|
369 10D-2 0.02925 0.01163
|
|
370 11D 0 -0.64028 0.06295
|
|
371 11D+1 0.80581 -0.00328
|
|
372 11D-1 0.64670 0.02685
|
|
373 11D+2 -0.07036 0.03258
|
|
374 11D-2 -0.34646 -0.03846
|
|
375 12D 0 -0.78438 0.02415
|
|
376 12D+1 0.94016 0.04928
|
|
377 12D-1 0.71882 0.10963
|
|
378 12D+2 -0.13768 -0.04100
|
|
379 12D-2 -0.40138 -0.08074
|
|
380 13F 0 -0.01168 0.00656
|
|
381 13F+1 0.08333 -0.00387
|
|
382 13F-1 0.06868 -0.01591
|
|
383 13F+2 -0.00531 0.00532
|
|
384 13F-2 -0.06971 0.00357
|
|
385 13F+3 -0.01496 -0.00186
|
|
386 13F-3 0.01226 -0.01357
|
|
387 14F 0 -0.07569 0.02386
|
|
388 14F+1 0.25185 0.00780
|
|
389 14F-1 0.20760 0.03123
|
|
390 14F+2 -0.06189 -0.00126
|
|
391 14F-2 -0.20189 -0.02490
|
|
392 14F+3 -0.01063 -0.01613
|
|
393 14F-3 0.05910 0.04167
|
|
394 15G 0 -0.00113 0.00432
|
|
395 15G+1 0.00094 0.00308
|
|
396 15G-1 -0.00038 -0.00402
|
|
397 15G+2 0.00000 -0.00191
|
|
398 15G-2 -0.00488 0.00499
|
|
399 15G+3 0.00096 -0.00326
|
|
400 15G-3 -0.00096 -0.00063
|
|
401 15G+4 -0.00067 0.00249
|
|
402 15G-4 0.00249 0.00074
|
|
Alpha Density Matrix:
|
|
1 2 3 4 5
|
|
1 1 C 1S 0.33019
|
|
2 2S -0.25458 0.20450
|
|
3 3S 0.04694 -0.03695 0.00676
|
|
4 4S -0.02509 0.04281 -0.00579 0.06928
|
|
5 5S -0.03098 0.05240 -0.00695 0.08305 0.10443
|
|
6 6S -0.00412 0.00709 -0.00080 0.01023 0.01836
|
|
7 7PX 0.00014 -0.00018 0.00003 -0.00041 0.00053
|
|
8 7PY -0.00146 0.00203 -0.00003 0.00145 0.00545
|
|
9 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
10 8PX 0.00008 -0.00017 0.00002 -0.00064 0.00107
|
|
11 8PY -0.00117 0.00243 0.00014 0.00227 0.00917
|
|
12 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
13 9PX 0.00023 -0.00039 0.00006 -0.00104 0.00076
|
|
14 9PY -0.00197 0.00300 0.00029 0.00100 0.01091
|
|
15 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
16 10PX -0.00025 0.00042 -0.00007 0.00055 0.00147
|
|
17 10PY -0.00229 0.00360 -0.00009 0.00355 0.00905
|
|
18 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
19 11PX -0.00021 0.00035 -0.00007 0.00061 0.00078
|
|
20 11PY -0.00059 0.00098 -0.00009 0.00146 0.00158
|
|
21 11PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
22 12D 0 -0.00004 0.00005 0.00000 0.00001 0.00011
|
|
23 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
24 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
25 12D+2 -0.00009 0.00010 -0.00001 0.00006 0.00015
|
|
26 12D-2 0.00000 0.00000 0.00000 -0.00001 0.00007
|
|
27 13D 0 0.00006 -0.00003 0.00003 -0.00007 0.00032
|
|
28 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
29 13D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
30 13D+2 0.00013 -0.00006 0.00005 -0.00005 0.00035
|
|
31 13D-2 -0.00001 0.00001 0.00000 -0.00003 0.00035
|
|
32 14D 0 0.00004 -0.00015 0.00009 -0.00070 0.00027
|
|
33 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
34 14D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
35 14D+2 -0.00021 0.00025 0.00005 -0.00004 0.00057
|
|
36 14D-2 0.00003 -0.00007 0.00002 -0.00031 0.00064
|
|
37 15D 0 -0.00012 0.00016 0.00000 0.00010 0.00032
|
|
38 15D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
39 15D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
40 15D+2 -0.00069 0.00108 -0.00011 0.00154 0.00176
|
|
41 15D-2 0.00022 -0.00037 0.00006 -0.00071 -0.00021
|
|
42 16F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
43 16F+1 -0.00003 0.00009 -0.00001 0.00018 0.00023
|
|
44 16F-1 -0.00004 0.00008 -0.00001 0.00017 0.00018
|
|
45 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
46 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
47 16F+3 0.00001 -0.00004 0.00000 -0.00008 -0.00007
|
|
48 16F-3 -0.00005 0.00009 -0.00002 0.00018 0.00018
|
|
49 17F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
50 17F+1 -0.00021 0.00044 -0.00005 0.00078 0.00108
|
|
51 17F-1 -0.00016 0.00035 -0.00005 0.00069 0.00080
|
|
52 17F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
53 17F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
54 17F+3 0.00009 -0.00018 0.00002 -0.00036 -0.00026
|
|
55 17F-3 -0.00018 0.00040 -0.00006 0.00081 0.00089
|
|
56 18F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
57 18F+1 -0.00017 0.00032 -0.00003 0.00048 0.00086
|
|
58 18F-1 -0.00022 0.00042 -0.00006 0.00071 0.00109
|
|
59 18F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
60 18F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
61 18F+3 0.00017 -0.00030 0.00004 -0.00052 -0.00041
|
|
62 18F-3 -0.00013 0.00030 -0.00005 0.00060 0.00074
|
|
63 19G 0 0.00000 0.00001 0.00000 0.00002 0.00001
|
|
64 19G+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
65 19G-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
66 19G+2 -0.00001 0.00001 0.00000 0.00002 0.00001
|
|
67 19G-2 0.00000 0.00003 0.00000 0.00008 0.00010
|
|
68 19G+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
69 19G-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
70 19G+4 -0.00001 0.00002 0.00000 0.00005 0.00004
|
|
71 19G-4 0.00000 -0.00001 0.00000 -0.00003 -0.00006
|
|
72 20G 0 -0.00001 0.00005 -0.00001 0.00015 0.00012
|
|
73 20G+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
74 20G-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
75 20G+2 0.00003 0.00000 -0.00001 0.00011 0.00002
|
|
76 20G-2 -0.00011 0.00019 -0.00002 0.00027 0.00040
|
|
77 20G+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
78 20G-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
79 20G+4 -0.00002 0.00009 -0.00002 0.00026 0.00022
|
|
80 20G-4 0.00005 -0.00007 0.00001 -0.00007 -0.00021
|
|
81 21H 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
82 21H+1 0.00001 -0.00001 0.00000 -0.00001 -0.00001
|
|
83 21H-1 0.00000 0.00000 0.00000 -0.00002 0.00000
|
|
84 21H+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
85 21H-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
86 21H+3 0.00001 -0.00001 0.00000 0.00000 -0.00003
|
|
87 21H-3 0.00000 0.00000 0.00000 -0.00002 -0.00001
|
|
88 21H+4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
89 21H-4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
90 21H+5 0.00000 0.00000 0.00000 -0.00001 -0.00001
|
|
91 21H-5 -0.00001 0.00000 0.00000 -0.00001 0.00000
|
|
92 2 O 1S 0.00072 -0.00096 0.00027 -0.00083 -0.00317
|
|
93 2S -0.00113 0.00149 -0.00047 0.00146 0.00465
|
|
94 3S 0.00001 -0.00004 -0.00001 -0.00009 -0.00001
|
|
95 4S -0.00133 0.00165 -0.00069 0.00158 0.00596
|
|
96 5S -0.00170 0.00143 -0.00084 -0.00017 0.00648
|
|
97 6S 0.00153 -0.00335 0.00024 -0.00714 -0.00293
|
|
98 7PX -0.00012 0.00022 -0.00002 0.00105 -0.00432
|
|
99 7PY -0.00365 0.00600 -0.00113 0.01118 0.00791
|
|
100 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
101 8PX -0.00024 0.00043 -0.00004 0.00190 -0.00730
|
|
102 8PY -0.00611 0.01006 -0.00190 0.01887 0.01321
|
|
103 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
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392 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
393 14F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
394 15G 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
395 15G+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
396 15G-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
397 15G+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
398 15G-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
399 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
400 15G-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
401 15G+4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
402 15G-4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
381 382 383 384 385
|
|
381 13F+1 0.00000
|
|
382 13F-1 0.00000 0.00000
|
|
383 13F+2 0.00000 0.00000 0.00000
|
|
384 13F-2 0.00000 0.00000 0.00000 0.00000
|
|
385 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
386 13F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
387 14F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
388 14F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
389 14F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
390 14F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
391 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
392 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
393 14F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
394 15G 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
395 15G+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
396 15G-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
397 15G+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
398 15G-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
399 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
400 15G-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
401 15G+4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
402 15G-4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
386 387 388 389 390
|
|
386 13F-3 0.00000
|
|
387 14F 0 0.00000 0.00000
|
|
388 14F+1 0.00000 0.00000 0.00000
|
|
389 14F-1 0.00000 0.00000 0.00000 0.00000
|
|
390 14F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
391 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
392 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
393 14F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
394 15G 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
395 15G+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
396 15G-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
397 15G+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
398 15G-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
399 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
400 15G-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
401 15G+4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
402 15G-4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
391 392 393 394 395
|
|
391 14F-2 0.00000
|
|
392 14F+3 0.00000 0.00000
|
|
393 14F-3 0.00000 0.00000 0.00000
|
|
394 15G 0 0.00000 0.00000 0.00000 0.00000
|
|
395 15G+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
396 15G-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
397 15G+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
398 15G-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
399 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
400 15G-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
401 15G+4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
402 15G-4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
396 397 398 399 400
|
|
396 15G-1 0.00000
|
|
397 15G+2 0.00000 0.00000
|
|
398 15G-2 0.00000 0.00000 0.00000
|
|
399 15G+3 0.00000 0.00000 0.00000 0.00000
|
|
400 15G-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
401 15G+4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
402 15G-4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
401 402
|
|
401 15G+4 0.00000
|
|
402 15G-4 0.00000 0.00000
|
|
Beta Density Matrix:
|
|
1 2 3 4 5
|
|
1 1 C 1S 0.33019
|
|
2 2S -0.25458 0.20450
|
|
3 3S 0.04694 -0.03695 0.00676
|
|
4 4S -0.02509 0.04281 -0.00579 0.06928
|
|
5 5S -0.03098 0.05240 -0.00695 0.08305 0.10443
|
|
6 6S -0.00412 0.00709 -0.00080 0.01023 0.01836
|
|
7 7PX 0.00014 -0.00018 0.00003 -0.00041 0.00053
|
|
8 7PY -0.00146 0.00203 -0.00003 0.00145 0.00545
|
|
9 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
10 8PX 0.00008 -0.00017 0.00002 -0.00064 0.00107
|
|
11 8PY -0.00117 0.00243 0.00014 0.00227 0.00917
|
|
12 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
13 9PX 0.00023 -0.00039 0.00006 -0.00104 0.00076
|
|
14 9PY -0.00197 0.00300 0.00029 0.00100 0.01091
|
|
15 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
16 10PX -0.00025 0.00042 -0.00007 0.00055 0.00147
|
|
17 10PY -0.00229 0.00360 -0.00009 0.00355 0.00905
|
|
18 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
19 11PX -0.00021 0.00035 -0.00007 0.00061 0.00078
|
|
20 11PY -0.00059 0.00098 -0.00009 0.00146 0.00158
|
|
21 11PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
22 12D 0 -0.00004 0.00005 0.00000 0.00001 0.00011
|
|
23 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
24 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
25 12D+2 -0.00009 0.00010 -0.00001 0.00006 0.00015
|
|
26 12D-2 0.00000 0.00000 0.00000 -0.00001 0.00007
|
|
27 13D 0 0.00006 -0.00003 0.00003 -0.00007 0.00032
|
|
28 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
29 13D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
30 13D+2 0.00013 -0.00006 0.00005 -0.00005 0.00035
|
|
31 13D-2 -0.00001 0.00001 0.00000 -0.00003 0.00035
|
|
32 14D 0 0.00004 -0.00015 0.00009 -0.00070 0.00027
|
|
33 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
34 14D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
35 14D+2 -0.00021 0.00025 0.00005 -0.00004 0.00057
|
|
36 14D-2 0.00003 -0.00007 0.00002 -0.00031 0.00064
|
|
37 15D 0 -0.00012 0.00016 0.00000 0.00010 0.00032
|
|
38 15D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
39 15D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
40 15D+2 -0.00069 0.00108 -0.00011 0.00154 0.00176
|
|
41 15D-2 0.00022 -0.00037 0.00006 -0.00071 -0.00021
|
|
42 16F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
43 16F+1 -0.00003 0.00009 -0.00001 0.00018 0.00023
|
|
44 16F-1 -0.00004 0.00008 -0.00001 0.00017 0.00018
|
|
45 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
46 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
47 16F+3 0.00001 -0.00004 0.00000 -0.00008 -0.00007
|
|
48 16F-3 -0.00005 0.00009 -0.00002 0.00018 0.00018
|
|
49 17F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
50 17F+1 -0.00021 0.00044 -0.00005 0.00078 0.00108
|
|
51 17F-1 -0.00016 0.00035 -0.00005 0.00069 0.00080
|
|
52 17F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
53 17F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
54 17F+3 0.00009 -0.00018 0.00002 -0.00036 -0.00026
|
|
55 17F-3 -0.00018 0.00040 -0.00006 0.00081 0.00089
|
|
56 18F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
57 18F+1 -0.00017 0.00032 -0.00003 0.00048 0.00086
|
|
58 18F-1 -0.00022 0.00042 -0.00006 0.00071 0.00109
|
|
59 18F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
60 18F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
61 18F+3 0.00017 -0.00030 0.00004 -0.00052 -0.00041
|
|
62 18F-3 -0.00013 0.00030 -0.00005 0.00060 0.00074
|
|
63 19G 0 0.00000 0.00001 0.00000 0.00002 0.00001
|
|
64 19G+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
65 19G-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
66 19G+2 -0.00001 0.00001 0.00000 0.00002 0.00001
|
|
67 19G-2 0.00000 0.00003 0.00000 0.00008 0.00010
|
|
68 19G+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
69 19G-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
70 19G+4 -0.00001 0.00002 0.00000 0.00005 0.00004
|
|
71 19G-4 0.00000 -0.00001 0.00000 -0.00003 -0.00006
|
|
72 20G 0 -0.00001 0.00005 -0.00001 0.00015 0.00012
|
|
73 20G+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
74 20G-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
75 20G+2 0.00003 0.00000 -0.00001 0.00011 0.00002
|
|
76 20G-2 -0.00011 0.00019 -0.00002 0.00027 0.00040
|
|
77 20G+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
78 20G-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
79 20G+4 -0.00002 0.00009 -0.00002 0.00026 0.00022
|
|
80 20G-4 0.00005 -0.00007 0.00001 -0.00007 -0.00021
|
|
81 21H 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
82 21H+1 0.00001 -0.00001 0.00000 -0.00001 -0.00001
|
|
83 21H-1 0.00000 0.00000 0.00000 -0.00002 0.00000
|
|
84 21H+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
85 21H-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
86 21H+3 0.00001 -0.00001 0.00000 0.00000 -0.00003
|
|
87 21H-3 0.00000 0.00000 0.00000 -0.00002 -0.00001
|
|
88 21H+4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
89 21H-4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
90 21H+5 0.00000 0.00000 0.00000 -0.00001 -0.00001
|
|
91 21H-5 -0.00001 0.00000 0.00000 -0.00001 0.00000
|
|
92 2 O 1S 0.00072 -0.00096 0.00027 -0.00083 -0.00317
|
|
93 2S -0.00113 0.00149 -0.00047 0.00146 0.00465
|
|
94 3S 0.00001 -0.00004 -0.00001 -0.00009 -0.00001
|
|
95 4S -0.00133 0.00165 -0.00069 0.00158 0.00596
|
|
96 5S -0.00170 0.00143 -0.00084 -0.00017 0.00648
|
|
97 6S 0.00153 -0.00335 0.00024 -0.00714 -0.00293
|
|
98 7PX -0.00012 0.00022 -0.00002 0.00105 -0.00432
|
|
99 7PY -0.00365 0.00600 -0.00113 0.01118 0.00791
|
|
100 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
101 8PX -0.00024 0.00043 -0.00004 0.00190 -0.00730
|
|
102 8PY -0.00611 0.01006 -0.00190 0.01887 0.01321
|
|
103 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
104 9PX -0.00019 0.00034 -0.00002 0.00228 -0.01148
|
|
105 9PY -0.00964 0.01575 -0.00296 0.02914 0.02102
|
|
106 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
107 10PX -0.00036 0.00063 -0.00008 0.00265 -0.00950
|
|
108 10PY -0.00800 0.01278 -0.00247 0.02391 0.01431
|
|
109 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
110 11PX -0.00062 0.00104 -0.00018 0.00259 -0.00263
|
|
111 11PY -0.00195 0.00313 -0.00069 0.00670 0.00070
|
|
112 11PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
113 12D 0 0.00002 -0.00004 0.00001 -0.00008 -0.00004
|
|
114 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
115 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
116 12D+2 0.00006 -0.00009 0.00002 -0.00016 -0.00019
|
|
117 12D-2 -0.00002 0.00003 -0.00001 0.00006 0.00005
|
|
118 13D 0 0.00010 -0.00017 0.00003 -0.00032 -0.00014
|
|
119 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
120 13D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
121 13D+2 0.00021 -0.00036 0.00006 -0.00064 -0.00078
|
|
122 13D-2 -0.00009 0.00014 -0.00003 0.00026 0.00022
|
|
123 14D 0 0.00043 -0.00067 0.00012 -0.00116 -0.00067
|
|
124 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
125 14D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
126 14D+2 0.00101 -0.00162 0.00027 -0.00269 -0.00311
|
|
127 14D-2 -0.00027 0.00047 -0.00008 0.00089 0.00072
|
|
128 15D 0 0.00037 -0.00057 0.00011 -0.00108 -0.00028
|
|
129 15D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
130 15D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
131 15D+2 0.00089 -0.00140 0.00025 -0.00242 -0.00210
|
|
132 15D-2 -0.00037 0.00058 -0.00010 0.00102 0.00070
|
|
133 16F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
134 16F+1 0.00000 0.00000 0.00000 0.00000 0.00001
|
|
135 16F-1 0.00001 -0.00002 0.00000 -0.00003 -0.00003
|
|
136 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
137 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
138 16F+3 0.00000 0.00001 0.00000 0.00001 0.00000
|
|
139 16F-3 0.00000 -0.00001 0.00000 -0.00002 -0.00001
|
|
140 17F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
141 17F+1 -0.00002 0.00004 -0.00001 0.00006 0.00016
|
|
142 17F-1 0.00011 -0.00018 0.00003 -0.00033 -0.00029
|
|
143 17F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
144 17F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
145 17F+3 0.00000 0.00001 0.00000 0.00002 -0.00003
|
|
146 17F-3 0.00007 -0.00011 0.00002 -0.00019 -0.00010
|
|
147 18F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
148 18F+1 -0.00002 0.00003 -0.00001 0.00005 0.00016
|
|
149 18F-1 0.00021 -0.00035 0.00006 -0.00063 -0.00048
|
|
150 18F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
151 18F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
152 18F+3 0.00005 -0.00007 0.00001 -0.00008 -0.00013
|
|
153 18F-3 0.00013 -0.00023 0.00004 -0.00044 -0.00024
|
|
154 19G 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
155 19G+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
156 19G-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
157 19G+2 0.00000 0.00001 0.00000 0.00001 0.00001
|
|
158 19G-2 0.00000 0.00000 0.00000 0.00000 -0.00001
|
|
159 19G+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
160 19G-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
161 19G+4 -0.00001 0.00001 0.00000 0.00001 0.00001
|
|
162 19G-4 0.00000 0.00000 0.00000 0.00001 0.00001
|
|
163 20G 0 -0.00001 0.00003 -0.00001 0.00006 0.00002
|
|
164 20G+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
165 20G-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
166 20G+2 -0.00003 0.00006 -0.00001 0.00012 0.00011
|
|
167 20G-2 0.00001 -0.00001 0.00000 -0.00003 -0.00002
|
|
168 20G+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
169 20G-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
170 20G+4 -0.00002 0.00005 -0.00001 0.00013 0.00007
|
|
171 20G-4 -0.00001 0.00002 0.00000 0.00004 0.00008
|
|
172 21H 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
173 21H+1 0.00000 0.00000 0.00000 0.00000 -0.00001
|
|
174 21H-1 0.00000 0.00001 0.00000 0.00002 0.00001
|
|
175 21H+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
176 21H-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
177 21H+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
178 21H-3 0.00000 0.00000 0.00000 0.00001 0.00001
|
|
179 21H+4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
180 21H-4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
181 21H+5 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
182 21H-5 -0.00001 0.00001 0.00000 0.00003 0.00003
|
|
183 3 H 1S -0.00208 0.00349 -0.00043 0.00549 0.00652
|
|
184 2S -0.00470 0.00790 -0.00098 0.01244 0.01471
|
|
185 3S -0.00953 0.01586 -0.00197 0.02479 0.02885
|
|
186 4S -0.00684 0.01137 -0.00142 0.01840 0.01735
|
|
187 5S -0.00064 0.00108 -0.00013 0.00187 0.00095
|
|
188 6PX -0.00009 0.00017 -0.00002 0.00027 0.00033
|
|
189 6PY 0.00002 -0.00004 0.00001 -0.00007 -0.00006
|
|
190 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
191 7PX -0.00028 0.00048 -0.00006 0.00076 0.00096
|
|
192 7PY 0.00007 -0.00013 0.00002 -0.00023 -0.00022
|
|
193 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
194 8PX -0.00153 0.00255 -0.00032 0.00402 0.00471
|
|
195 8PY 0.00035 -0.00054 0.00008 -0.00082 -0.00084
|
|
196 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
197 9PX -0.00114 0.00187 -0.00024 0.00305 0.00274
|
|
198 9PY 0.00023 -0.00036 0.00006 -0.00064 -0.00018
|
|
199 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
200 10D 0 0.00001 -0.00002 0.00000 -0.00004 -0.00005
|
|
201 10D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
202 10D-1 0.00000 0.00000 0.00000 0.00000 0.00000
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395 15G+1 -0.00003 -0.00001 0.00000 0.00000 0.00000
|
|
396 15G-1 -0.00003 -0.00001 0.00000 0.00000 0.00000
|
|
397 15G+2 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
398 15G-2 0.00004 0.00001 0.00000 0.00000 0.00000
|
|
399 15G+3 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
400 15G-3 -0.00002 0.00000 0.00000 0.00000 0.00000
|
|
401 15G+4 -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
402 15G-4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
356 357 358 359 360
|
|
356 7PX 0.00001
|
|
357 7PY 0.00000 0.00001
|
|
358 7PZ -0.00001 -0.00001 0.00002
|
|
359 8PX 0.00004 0.00002 -0.00004 0.00022
|
|
360 8PY 0.00002 0.00003 -0.00004 0.00013 0.00012
|
|
361 8PZ -0.00005 -0.00005 0.00009 -0.00029 -0.00024
|
|
362 9PX 0.00004 0.00003 -0.00004 0.00029 0.00018
|
|
363 9PY 0.00002 0.00003 -0.00003 0.00017 0.00014
|
|
364 9PZ -0.00006 -0.00006 0.00010 -0.00040 -0.00032
|
|
365 10D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
366 10D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
367 10D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
368 10D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
369 10D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
370 11D 0 0.00000 0.00000 0.00001 -0.00002 -0.00002
|
|
371 11D+1 0.00001 0.00000 -0.00001 0.00004 0.00003
|
|
372 11D-1 0.00000 0.00000 -0.00001 0.00002 0.00002
|
|
373 11D+2 0.00000 0.00000 0.00000 -0.00001 0.00000
|
|
374 11D-2 0.00000 0.00000 0.00000 -0.00002 -0.00001
|
|
375 12D 0 -0.00001 -0.00001 0.00002 -0.00005 -0.00005
|
|
376 12D+1 0.00001 0.00001 -0.00002 0.00009 0.00006
|
|
377 12D-1 0.00001 0.00001 -0.00001 0.00006 0.00004
|
|
378 12D+2 0.00000 0.00000 0.00000 -0.00002 -0.00001
|
|
379 12D-2 0.00000 0.00000 0.00001 -0.00002 -0.00002
|
|
380 13F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
381 13F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
382 13F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
383 13F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
384 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
385 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
386 13F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
387 14F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
388 14F+1 0.00000 0.00000 0.00000 0.00002 0.00001
|
|
389 14F-1 0.00000 0.00000 0.00000 0.00001 0.00001
|
|
390 14F+2 0.00000 0.00000 0.00000 -0.00001 0.00000
|
|
391 14F-2 0.00000 0.00000 0.00000 -0.00001 -0.00001
|
|
392 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
393 14F-3 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
394 15G 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
395 15G+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
396 15G-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
397 15G+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
398 15G-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
399 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
400 15G-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
401 15G+4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
402 15G-4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
361 362 363 364 365
|
|
361 8PZ 0.00058
|
|
362 9PX -0.00037 0.00042
|
|
363 9PY -0.00028 0.00026 0.00019
|
|
364 9PZ 0.00077 -0.00059 -0.00043 0.00119
|
|
365 10D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
366 10D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
367 10D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
368 10D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
369 10D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
370 11D 0 0.00005 -0.00002 -0.00002 0.00006 0.00000
|
|
371 11D+1 -0.00006 0.00005 0.00003 -0.00008 0.00000
|
|
372 11D-1 -0.00005 0.00003 0.00003 -0.00007 0.00000
|
|
373 11D+2 0.00001 -0.00001 0.00000 0.00001 0.00000
|
|
374 11D-2 0.00003 -0.00002 -0.00002 0.00004 0.00000
|
|
375 12D 0 0.00012 -0.00007 -0.00006 0.00018 0.00000
|
|
376 12D+1 -0.00013 0.00012 0.00008 -0.00019 0.00000
|
|
377 12D-1 -0.00009 0.00008 0.00005 -0.00014 0.00000
|
|
378 12D+2 0.00003 -0.00003 -0.00002 0.00004 0.00000
|
|
379 12D-2 0.00004 -0.00003 -0.00002 0.00005 0.00000
|
|
380 13F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
381 13F+1 0.00000 0.00000 0.00000 -0.00001 0.00000
|
|
382 13F-1 0.00000 0.00000 0.00000 -0.00001 0.00000
|
|
383 13F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
384 13F-2 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
385 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
386 13F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
387 14F 0 0.00001 0.00000 0.00000 0.00001 0.00000
|
|
388 14F+1 -0.00003 0.00002 0.00002 -0.00005 0.00000
|
|
389 14F-1 -0.00002 0.00002 0.00001 -0.00003 0.00000
|
|
390 14F+2 0.00001 -0.00001 -0.00001 0.00001 0.00000
|
|
391 14F-2 0.00002 -0.00002 -0.00001 0.00003 0.00000
|
|
392 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
393 14F-3 -0.00001 0.00001 0.00001 -0.00002 0.00000
|
|
394 15G 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
395 15G+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
396 15G-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
397 15G+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
398 15G-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
399 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
400 15G-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
401 15G+4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
402 15G-4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
366 367 368 369 370
|
|
366 10D+1 0.00000
|
|
367 10D-1 0.00000 0.00000
|
|
368 10D+2 0.00000 0.00000 0.00000
|
|
369 10D-2 0.00000 0.00000 0.00000 0.00000
|
|
370 11D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
371 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
372 11D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
373 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
374 11D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
375 12D 0 0.00000 0.00000 0.00000 0.00000 0.00001
|
|
376 12D+1 0.00000 0.00000 0.00000 0.00000 -0.00001
|
|
377 12D-1 0.00000 0.00000 0.00000 0.00000 -0.00001
|
|
378 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
379 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
380 13F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
381 13F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
382 13F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
383 13F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
384 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
385 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
386 13F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
387 14F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
388 14F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
389 14F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
390 14F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
391 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
392 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
393 14F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
394 15G 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
395 15G+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
396 15G-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
397 15G+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
398 15G-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
399 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
400 15G-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
401 15G+4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
402 15G-4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
371 372 373 374 375
|
|
371 11D+1 0.00001
|
|
372 11D-1 0.00001 0.00000
|
|
373 11D+2 0.00000 0.00000 0.00000
|
|
374 11D-2 0.00000 0.00000 0.00000 0.00000
|
|
375 12D 0 -0.00001 -0.00001 0.00000 0.00001 0.00003
|
|
376 12D+1 0.00002 0.00001 0.00000 -0.00001 -0.00003
|
|
377 12D-1 0.00001 0.00001 0.00000 -0.00001 -0.00002
|
|
378 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
379 12D-2 0.00000 0.00000 0.00000 0.00000 0.00001
|
|
380 13F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
381 13F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
382 13F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
383 13F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
384 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
385 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
386 13F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
387 14F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
388 14F+1 0.00000 0.00000 0.00000 0.00000 -0.00001
|
|
389 14F-1 0.00000 0.00000 0.00000 0.00000 -0.00001
|
|
390 14F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
391 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
392 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
393 14F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
394 15G 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
395 15G+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
396 15G-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
397 15G+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
398 15G-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
399 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
400 15G-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
401 15G+4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
402 15G-4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
376 377 378 379 380
|
|
376 12D+1 0.00004
|
|
377 12D-1 0.00002 0.00002
|
|
378 12D+2 -0.00001 -0.00001 0.00000
|
|
379 12D-2 -0.00001 -0.00001 0.00000 0.00000
|
|
380 13F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
381 13F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
382 13F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
383 13F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
384 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
385 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
386 13F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
387 14F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
388 14F+1 0.00001 0.00001 0.00000 0.00000 0.00000
|
|
389 14F-1 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
390 14F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
391 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
392 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
393 14F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
394 15G 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
395 15G+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
396 15G-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
397 15G+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
398 15G-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
399 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
400 15G-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
401 15G+4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
402 15G-4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
381 382 383 384 385
|
|
381 13F+1 0.00000
|
|
382 13F-1 0.00000 0.00000
|
|
383 13F+2 0.00000 0.00000 0.00000
|
|
384 13F-2 0.00000 0.00000 0.00000 0.00000
|
|
385 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
386 13F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
387 14F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
388 14F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
389 14F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
390 14F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
391 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
392 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
393 14F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
394 15G 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
395 15G+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
396 15G-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
397 15G+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
398 15G-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
399 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
400 15G-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
401 15G+4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
402 15G-4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
386 387 388 389 390
|
|
386 13F-3 0.00000
|
|
387 14F 0 0.00000 0.00000
|
|
388 14F+1 0.00000 0.00000 0.00000
|
|
389 14F-1 0.00000 0.00000 0.00000 0.00000
|
|
390 14F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
391 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
392 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
393 14F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
394 15G 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
395 15G+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
396 15G-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
397 15G+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
398 15G-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
399 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
400 15G-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
401 15G+4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
402 15G-4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
391 392 393 394 395
|
|
391 14F-2 0.00000
|
|
392 14F+3 0.00000 0.00000
|
|
393 14F-3 0.00000 0.00000 0.00000
|
|
394 15G 0 0.00000 0.00000 0.00000 0.00000
|
|
395 15G+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
396 15G-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
397 15G+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
398 15G-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
399 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
400 15G-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
401 15G+4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
402 15G-4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
396 397 398 399 400
|
|
396 15G-1 0.00000
|
|
397 15G+2 0.00000 0.00000
|
|
398 15G-2 0.00000 0.00000 0.00000
|
|
399 15G+3 0.00000 0.00000 0.00000 0.00000
|
|
400 15G-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
401 15G+4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
402 15G-4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
401 402
|
|
401 15G+4 0.00000
|
|
402 15G-4 0.00000 0.00000
|
|
Full Mulliken population analysis:
|
|
1 2 3 4 5
|
|
1 1 C 1S 0.66037
|
|
2 2S 0.42314 0.40900
|
|
3 3S 0.04633 0.06109 0.01351
|
|
4 4S -0.01366 -0.04567 -0.00980 0.13855
|
|
5 5S -0.00896 -0.03190 -0.00779 0.14286 0.20886
|
|
6 6S -0.00061 -0.00229 -0.00051 0.01175 0.03155
|
|
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 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
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 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
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 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
16 10PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
17 10PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
18 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
19 11PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
20 11PY 0.00000 0.00000 0.00000 0.00000 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 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
24 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
25 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
26 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
27 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
28 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
29 13D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
30 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
31 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
32 14D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
33 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
34 14D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
35 14D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
36 14D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
37 15D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
38 15D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
39 15D-1 0.00000 0.00000 0.00000 0.00000 0.00000
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393 14F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
394 15G 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
395 15G+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
396 15G-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
397 15G+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
398 15G-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
399 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
400 15G-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
401 15G+4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
402 15G-4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
371 372 373 374 375
|
|
371 11D+1 0.00001
|
|
372 11D-1 0.00000 0.00001
|
|
373 11D+2 0.00000 0.00000 0.00000
|
|
374 11D-2 0.00000 0.00000 0.00000 0.00000
|
|
375 12D 0 0.00000 0.00000 0.00000 0.00000 0.00006
|
|
376 12D+1 0.00002 0.00000 0.00000 0.00000 0.00000
|
|
377 12D-1 0.00000 0.00001 0.00000 0.00000 0.00000
|
|
378 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
379 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
380 13F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
381 13F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
382 13F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
383 13F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
384 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
385 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
386 13F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
387 14F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
388 14F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
389 14F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
390 14F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
391 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
392 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
393 14F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
394 15G 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
395 15G+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
396 15G-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
397 15G+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
398 15G-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
399 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
400 15G-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
401 15G+4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
402 15G-4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
376 377 378 379 380
|
|
376 12D+1 0.00007
|
|
377 12D-1 0.00000 0.00003
|
|
378 12D+2 0.00000 0.00000 0.00001
|
|
379 12D-2 0.00000 0.00000 0.00000 0.00001
|
|
380 13F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
381 13F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
382 13F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
383 13F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
384 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
385 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
386 13F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
387 14F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
388 14F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
389 14F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
390 14F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
391 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
392 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
393 14F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
394 15G 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
395 15G+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
396 15G-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
397 15G+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
398 15G-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
399 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
400 15G-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
401 15G+4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
402 15G-4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
381 382 383 384 385
|
|
381 13F+1 0.00000
|
|
382 13F-1 0.00000 0.00000
|
|
383 13F+2 0.00000 0.00000 0.00000
|
|
384 13F-2 0.00000 0.00000 0.00000 0.00000
|
|
385 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
386 13F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
387 14F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
388 14F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
389 14F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
390 14F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
391 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
392 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
393 14F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
394 15G 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
395 15G+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
396 15G-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
397 15G+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
398 15G-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
399 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
400 15G-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
401 15G+4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
402 15G-4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
386 387 388 389 390
|
|
386 13F-3 0.00000
|
|
387 14F 0 0.00000 0.00000
|
|
388 14F+1 0.00000 0.00000 0.00000
|
|
389 14F-1 0.00000 0.00000 0.00000 0.00000
|
|
390 14F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
391 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
392 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
393 14F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
394 15G 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
395 15G+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
396 15G-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
397 15G+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
398 15G-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
399 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
400 15G-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
401 15G+4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
402 15G-4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
391 392 393 394 395
|
|
391 14F-2 0.00000
|
|
392 14F+3 0.00000 0.00000
|
|
393 14F-3 0.00000 0.00000 0.00000
|
|
394 15G 0 0.00000 0.00000 0.00000 0.00000
|
|
395 15G+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
396 15G-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
397 15G+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
398 15G-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
399 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
400 15G-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
401 15G+4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
402 15G-4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
396 397 398 399 400
|
|
396 15G-1 0.00000
|
|
397 15G+2 0.00000 0.00000
|
|
398 15G-2 0.00000 0.00000 0.00000
|
|
399 15G+3 0.00000 0.00000 0.00000 0.00000
|
|
400 15G-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
401 15G+4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
402 15G-4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
401 402
|
|
401 15G+4 0.00000
|
|
402 15G-4 0.00000 0.00000
|
|
Gross orbital populations:
|
|
Total Alpha Beta Spin
|
|
1 1 C 1S 1.09952 0.54976 0.54976 0.00000
|
|
2 2S 0.78738 0.39369 0.39369 0.00000
|
|
3 3S 0.09533 0.04766 0.04766 0.00000
|
|
4 4S 0.38483 0.19242 0.19242 0.00000
|
|
5 5S 0.59086 0.29543 0.29543 0.00000
|
|
6 6S 0.08912 0.04456 0.04456 0.00000
|
|
7 7PX 0.06765 0.03383 0.03383 0.00000
|
|
8 7PY 0.04772 0.02386 0.02386 0.00000
|
|
9 7PZ 0.06589 0.03295 0.03295 0.00000
|
|
10 8PX 0.20802 0.10401 0.10401 0.00000
|
|
11 8PY 0.15266 0.07633 0.07633 0.00000
|
|
12 8PZ 0.20399 0.10199 0.10199 0.00000
|
|
13 9PX 0.42154 0.21077 0.21077 0.00000
|
|
14 9PY 0.32634 0.16317 0.16317 0.00000
|
|
15 9PZ 0.40050 0.20025 0.20025 0.00000
|
|
16 10PX 0.26980 0.13490 0.13490 0.00000
|
|
17 10PY 0.14367 0.07184 0.07184 0.00000
|
|
18 10PZ 0.24104 0.12052 0.12052 0.00000
|
|
19 11PX 0.04398 0.02199 0.02199 0.00000
|
|
20 11PY 0.00728 0.00364 0.00364 0.00000
|
|
21 11PZ 0.02906 0.01453 0.01453 0.00000
|
|
22 12D 0 0.00017 0.00009 0.00009 0.00000
|
|
23 12D+1 0.00013 0.00007 0.00007 0.00000
|
|
24 12D-1 0.00021 0.00010 0.00010 0.00000
|
|
25 12D+2 0.00027 0.00013 0.00013 0.00000
|
|
26 12D-2 0.00013 0.00006 0.00006 0.00000
|
|
27 13D 0 0.00235 0.00117 0.00117 0.00000
|
|
28 13D+1 0.00145 0.00072 0.00072 0.00000
|
|
29 13D-1 0.00321 0.00160 0.00160 0.00000
|
|
30 13D+2 0.00403 0.00202 0.00202 0.00000
|
|
31 13D-2 0.00200 0.00100 0.00100 0.00000
|
|
32 14D 0 0.01258 0.00629 0.00629 0.00000
|
|
33 14D+1 0.00681 0.00340 0.00340 0.00000
|
|
34 14D-1 0.01064 0.00532 0.00532 0.00000
|
|
35 14D+2 0.02086 0.01043 0.01043 0.00000
|
|
36 14D-2 0.01276 0.00638 0.00638 0.00000
|
|
37 15D 0 0.00087 0.00044 0.00044 0.00000
|
|
38 15D+1 0.00056 0.00028 0.00028 0.00000
|
|
39 15D-1 -0.00466 -0.00233 -0.00233 0.00000
|
|
40 15D+2 0.00861 0.00431 0.00431 0.00000
|
|
41 15D-2 0.01162 0.00581 0.00581 0.00000
|
|
42 16F 0 0.00002 0.00001 0.00001 0.00000
|
|
43 16F+1 0.00004 0.00002 0.00002 0.00000
|
|
44 16F-1 0.00006 0.00003 0.00003 0.00000
|
|
45 16F+2 0.00003 0.00001 0.00001 0.00000
|
|
46 16F-2 0.00002 0.00001 0.00001 0.00000
|
|
47 16F+3 0.00004 0.00002 0.00002 0.00000
|
|
48 16F-3 0.00009 0.00004 0.00004 0.00000
|
|
49 17F 0 0.00064 0.00032 0.00032 0.00000
|
|
50 17F+1 0.00070 0.00035 0.00035 0.00000
|
|
51 17F-1 0.00094 0.00047 0.00047 0.00000
|
|
52 17F+2 0.00107 0.00054 0.00054 0.00000
|
|
53 17F-2 0.00017 0.00008 0.00008 0.00000
|
|
54 17F+3 0.00121 0.00060 0.00060 0.00000
|
|
55 17F-3 0.00131 0.00065 0.00065 0.00000
|
|
56 18F 0 0.00093 0.00047 0.00047 0.00000
|
|
57 18F+1 0.00130 0.00065 0.00065 0.00000
|
|
58 18F-1 0.00180 0.00090 0.00090 0.00000
|
|
59 18F+2 0.00210 0.00105 0.00105 0.00000
|
|
60 18F-2 -0.00037 -0.00018 -0.00018 0.00000
|
|
61 18F+3 0.00372 0.00186 0.00186 0.00000
|
|
62 18F-3 0.00175 0.00088 0.00088 0.00000
|
|
63 19G 0 0.00001 0.00001 0.00001 0.00000
|
|
64 19G+1 0.00001 0.00001 0.00001 0.00000
|
|
65 19G-1 0.00003 0.00001 0.00001 0.00000
|
|
66 19G+2 0.00003 0.00001 0.00001 0.00000
|
|
67 19G-2 0.00002 0.00001 0.00001 0.00000
|
|
68 19G+3 0.00000 0.00000 0.00000 0.00000
|
|
69 19G-3 0.00002 0.00001 0.00001 0.00000
|
|
70 19G+4 0.00004 0.00002 0.00002 0.00000
|
|
71 19G-4 0.00003 0.00002 0.00002 0.00000
|
|
72 20G 0 0.00029 0.00015 0.00015 0.00000
|
|
73 20G+1 0.00017 0.00009 0.00009 0.00000
|
|
74 20G-1 0.00102 0.00051 0.00051 0.00000
|
|
75 20G+2 0.00055 0.00027 0.00027 0.00000
|
|
76 20G-2 0.00043 0.00022 0.00022 0.00000
|
|
77 20G+3 0.00002 0.00001 0.00001 0.00000
|
|
78 20G-3 0.00061 0.00030 0.00030 0.00000
|
|
79 20G+4 0.00066 0.00033 0.00033 0.00000
|
|
80 20G-4 0.00095 0.00047 0.00047 0.00000
|
|
81 21H 0 0.00001 0.00001 0.00001 0.00000
|
|
82 21H+1 0.00001 0.00000 0.00000 0.00000
|
|
83 21H-1 0.00002 0.00001 0.00001 0.00000
|
|
84 21H+2 0.00002 0.00001 0.00001 0.00000
|
|
85 21H-2 0.00003 0.00002 0.00002 0.00000
|
|
86 21H+3 0.00002 0.00001 0.00001 0.00000
|
|
87 21H-3 0.00004 0.00002 0.00002 0.00000
|
|
88 21H+4 0.00002 0.00001 0.00001 0.00000
|
|
89 21H-4 0.00000 0.00000 0.00000 0.00000
|
|
90 21H+5 0.00003 0.00001 0.00001 0.00000
|
|
91 21H-5 0.00005 0.00003 0.00003 0.00000
|
|
92 2 O 1S 1.12206 0.56103 0.56103 0.00000
|
|
93 2S 0.78467 0.39233 0.39233 0.00000
|
|
94 3S 0.09507 0.04754 0.04754 0.00000
|
|
95 4S 0.54637 0.27318 0.27318 0.00000
|
|
96 5S 0.91674 0.45837 0.45837 0.00000
|
|
97 6S 0.30760 0.15380 0.15380 0.00000
|
|
98 7PX 0.09753 0.04877 0.04877 0.00000
|
|
99 7PY 0.08777 0.04388 0.04388 0.00000
|
|
100 7PZ 0.12987 0.06494 0.06494 0.00000
|
|
101 8PX 0.27828 0.13914 0.13914 0.00000
|
|
102 8PY 0.25168 0.12584 0.12584 0.00000
|
|
103 8PZ 0.36233 0.18117 0.18117 0.00000
|
|
104 9PX 0.52818 0.26409 0.26409 0.00000
|
|
105 9PY 0.48935 0.24467 0.24467 0.00000
|
|
106 9PZ 0.63589 0.31795 0.31795 0.00000
|
|
107 10PX 0.44041 0.22021 0.22021 0.00000
|
|
108 10PY 0.43217 0.21609 0.21609 0.00000
|
|
109 10PZ 0.57343 0.28672 0.28672 0.00000
|
|
110 11PX 0.09231 0.04616 0.04616 0.00000
|
|
111 11PY 0.08525 0.04263 0.04263 0.00000
|
|
112 11PZ 0.18730 0.09365 0.09365 0.00000
|
|
113 12D 0 0.00002 0.00001 0.00001 0.00000
|
|
114 12D+1 0.00001 0.00000 0.00000 0.00000
|
|
115 12D-1 0.00001 0.00000 0.00000 0.00000
|
|
116 12D+2 0.00008 0.00004 0.00004 0.00000
|
|
117 12D-2 0.00002 0.00001 0.00001 0.00000
|
|
118 13D 0 0.00034 0.00017 0.00017 0.00000
|
|
119 13D+1 0.00010 0.00005 0.00005 0.00000
|
|
120 13D-1 0.00012 0.00006 0.00006 0.00000
|
|
121 13D+2 0.00105 0.00052 0.00052 0.00000
|
|
122 13D-2 0.00028 0.00014 0.00014 0.00000
|
|
123 14D 0 0.00270 0.00135 0.00135 0.00000
|
|
124 14D+1 0.00040 0.00020 0.00020 0.00000
|
|
125 14D-1 0.00158 0.00079 0.00079 0.00000
|
|
126 14D+2 0.00922 0.00461 0.00461 0.00000
|
|
127 14D-2 0.00307 0.00154 0.00154 0.00000
|
|
128 15D 0 0.00371 0.00186 0.00186 0.00000
|
|
129 15D+1 0.00038 0.00019 0.00019 0.00000
|
|
130 15D-1 0.00118 0.00059 0.00059 0.00000
|
|
131 15D+2 0.00766 0.00383 0.00383 0.00000
|
|
132 15D-2 0.00386 0.00193 0.00193 0.00000
|
|
133 16F 0 0.00000 0.00000 0.00000 0.00000
|
|
134 16F+1 0.00001 0.00000 0.00000 0.00000
|
|
135 16F-1 0.00000 0.00000 0.00000 0.00000
|
|
136 16F+2 0.00000 0.00000 0.00000 0.00000
|
|
137 16F-2 0.00000 0.00000 0.00000 0.00000
|
|
138 16F+3 0.00000 0.00000 0.00000 0.00000
|
|
139 16F-3 0.00000 0.00000 0.00000 0.00000
|
|
140 17F 0 0.00009 0.00004 0.00004 0.00000
|
|
141 17F+1 0.00020 0.00010 0.00010 0.00000
|
|
142 17F-1 0.00019 0.00010 0.00010 0.00000
|
|
143 17F+2 0.00005 0.00003 0.00003 0.00000
|
|
144 17F-2 0.00001 0.00001 0.00001 0.00000
|
|
145 17F+3 0.00013 0.00007 0.00007 0.00000
|
|
146 17F-3 0.00022 0.00011 0.00011 0.00000
|
|
147 18F 0 0.00029 0.00015 0.00015 0.00000
|
|
148 18F+1 0.00047 0.00024 0.00024 0.00000
|
|
149 18F-1 0.00066 0.00033 0.00033 0.00000
|
|
150 18F+2 0.00017 0.00009 0.00009 0.00000
|
|
151 18F-2 0.00001 0.00000 0.00000 0.00000
|
|
152 18F+3 0.00073 0.00036 0.00036 0.00000
|
|
153 18F-3 0.00082 0.00041 0.00041 0.00000
|
|
154 19G 0 0.00000 0.00000 0.00000 0.00000
|
|
155 19G+1 0.00000 0.00000 0.00000 0.00000
|
|
156 19G-1 0.00000 0.00000 0.00000 0.00000
|
|
157 19G+2 0.00000 0.00000 0.00000 0.00000
|
|
158 19G-2 0.00000 0.00000 0.00000 0.00000
|
|
159 19G+3 0.00000 0.00000 0.00000 0.00000
|
|
160 19G-3 0.00000 0.00000 0.00000 0.00000
|
|
161 19G+4 0.00000 0.00000 0.00000 0.00000
|
|
162 19G-4 0.00000 0.00000 0.00000 0.00000
|
|
163 20G 0 0.00004 0.00002 0.00002 0.00000
|
|
164 20G+1 0.00000 0.00000 0.00000 0.00000
|
|
165 20G-1 0.00003 0.00001 0.00001 0.00000
|
|
166 20G+2 0.00008 0.00004 0.00004 0.00000
|
|
167 20G-2 0.00002 0.00001 0.00001 0.00000
|
|
168 20G+3 0.00000 0.00000 0.00000 0.00000
|
|
169 20G-3 0.00003 0.00001 0.00001 0.00000
|
|
170 20G+4 0.00011 0.00005 0.00005 0.00000
|
|
171 20G-4 0.00013 0.00007 0.00007 0.00000
|
|
172 21H 0 0.00000 0.00000 0.00000 0.00000
|
|
173 21H+1 0.00000 0.00000 0.00000 0.00000
|
|
174 21H-1 0.00000 0.00000 0.00000 0.00000
|
|
175 21H+2 0.00000 0.00000 0.00000 0.00000
|
|
176 21H-2 0.00000 0.00000 0.00000 0.00000
|
|
177 21H+3 0.00000 0.00000 0.00000 0.00000
|
|
178 21H-3 0.00000 0.00000 0.00000 0.00000
|
|
179 21H+4 0.00000 0.00000 0.00000 0.00000
|
|
180 21H-4 0.00000 0.00000 0.00000 0.00000
|
|
181 21H+5 0.00000 0.00000 0.00000 0.00000
|
|
182 21H-5 0.00001 0.00000 0.00000 0.00000
|
|
183 3 H 1S 0.03701 0.01850 0.01850 0.00000
|
|
184 2S 0.15223 0.07612 0.07612 0.00000
|
|
185 3S 0.39054 0.19527 0.19527 0.00000
|
|
186 4S 0.31113 0.15556 0.15556 0.00000
|
|
187 5S 0.02879 0.01439 0.01439 0.00000
|
|
188 6PX 0.00022 0.00011 0.00011 0.00000
|
|
189 6PY 0.00004 0.00002 0.00002 0.00000
|
|
190 6PZ 0.00003 0.00001 0.00001 0.00000
|
|
191 7PX 0.00182 0.00091 0.00091 0.00000
|
|
192 7PY 0.00036 0.00018 0.00018 0.00000
|
|
193 7PZ 0.00038 0.00019 0.00019 0.00000
|
|
194 8PX 0.01398 0.00699 0.00699 0.00000
|
|
195 8PY 0.00188 0.00094 0.00094 0.00000
|
|
196 8PZ 0.00283 0.00141 0.00141 0.00000
|
|
197 9PX 0.00468 0.00234 0.00234 0.00000
|
|
198 9PY 0.00069 0.00034 0.00034 0.00000
|
|
199 9PZ 0.00839 0.00419 0.00419 0.00000
|
|
200 10D 0 0.00001 0.00000 0.00000 0.00000
|
|
201 10D+1 0.00002 0.00001 0.00001 0.00000
|
|
202 10D-1 0.00000 0.00000 0.00000 0.00000
|
|
203 10D+2 0.00002 0.00001 0.00001 0.00000
|
|
204 10D-2 0.00002 0.00001 0.00001 0.00000
|
|
205 11D 0 0.00018 0.00009 0.00009 0.00000
|
|
206 11D+1 0.00026 0.00013 0.00013 0.00000
|
|
207 11D-1 0.00000 0.00000 0.00000 0.00000
|
|
208 11D+2 0.00047 0.00023 0.00023 0.00000
|
|
209 11D-2 0.00015 0.00008 0.00008 0.00000
|
|
210 12D 0 0.00007 0.00003 0.00003 0.00000
|
|
211 12D+1 0.00159 0.00079 0.00079 0.00000
|
|
212 12D-1 0.00007 0.00004 0.00004 0.00000
|
|
213 12D+2 0.00108 0.00054 0.00054 0.00000
|
|
214 12D-2 -0.00023 -0.00012 -0.00012 0.00000
|
|
215 13F 0 0.00000 0.00000 0.00000 0.00000
|
|
216 13F+1 0.00001 0.00000 0.00000 0.00000
|
|
217 13F-1 0.00000 0.00000 0.00000 0.00000
|
|
218 13F+2 0.00000 0.00000 0.00000 0.00000
|
|
219 13F-2 0.00000 0.00000 0.00000 0.00000
|
|
220 13F+3 0.00001 0.00000 0.00000 0.00000
|
|
221 13F-3 0.00001 0.00000 0.00000 0.00000
|
|
222 14F 0 0.00007 0.00003 0.00003 0.00000
|
|
223 14F+1 0.00003 0.00001 0.00001 0.00000
|
|
224 14F-1 -0.00002 -0.00001 -0.00001 0.00000
|
|
225 14F+2 0.00014 0.00007 0.00007 0.00000
|
|
226 14F-2 -0.00001 -0.00001 -0.00001 0.00000
|
|
227 14F+3 -0.00003 -0.00001 -0.00001 0.00000
|
|
228 14F-3 0.00000 0.00000 0.00000 0.00000
|
|
229 15G 0 0.00000 0.00000 0.00000 0.00000
|
|
230 15G+1 0.00000 0.00000 0.00000 0.00000
|
|
231 15G-1 0.00000 0.00000 0.00000 0.00000
|
|
232 15G+2 0.00000 0.00000 0.00000 0.00000
|
|
233 15G-2 0.00000 0.00000 0.00000 0.00000
|
|
234 15G+3 0.00000 0.00000 0.00000 0.00000
|
|
235 15G-3 0.00000 0.00000 0.00000 0.00000
|
|
236 15G+4 0.00000 0.00000 0.00000 0.00000
|
|
237 15G-4 0.00000 0.00000 0.00000 0.00000
|
|
238 4 H 1S 0.03484 0.01742 0.01742 0.00000
|
|
239 2S 0.14835 0.07417 0.07417 0.00000
|
|
240 3S 0.28999 0.14500 0.14500 0.00000
|
|
241 4S 0.13649 0.06824 0.06824 0.00000
|
|
242 5S 0.00805 0.00402 0.00402 0.00000
|
|
243 6PX 0.00052 0.00026 0.00026 0.00000
|
|
244 6PY 0.00015 0.00007 0.00007 0.00000
|
|
245 6PZ 0.00014 0.00007 0.00007 0.00000
|
|
246 7PX 0.00427 0.00214 0.00214 0.00000
|
|
247 7PY 0.00142 0.00071 0.00071 0.00000
|
|
248 7PZ 0.00167 0.00084 0.00084 0.00000
|
|
249 8PX 0.01213 0.00607 0.00607 0.00000
|
|
250 8PY 0.01053 0.00526 0.00526 0.00000
|
|
251 8PZ 0.01386 0.00693 0.00693 0.00000
|
|
252 9PX 0.00127 0.00063 0.00063 0.00000
|
|
253 9PY 0.01065 0.00532 0.00532 0.00000
|
|
254 9PZ 0.02611 0.01306 0.01306 0.00000
|
|
255 10D 0 0.00006 0.00003 0.00003 0.00000
|
|
256 10D+1 0.00010 0.00005 0.00005 0.00000
|
|
257 10D-1 0.00001 0.00000 0.00000 0.00000
|
|
258 10D+2 0.00014 0.00007 0.00007 0.00000
|
|
259 10D-2 0.00011 0.00005 0.00005 0.00000
|
|
260 11D 0 0.00026 0.00013 0.00013 0.00000
|
|
261 11D+1 0.00132 0.00066 0.00066 0.00000
|
|
262 11D-1 0.00018 0.00009 0.00009 0.00000
|
|
263 11D+2 0.00063 0.00032 0.00032 0.00000
|
|
264 11D-2 0.00083 0.00041 0.00041 0.00000
|
|
265 12D 0 0.00021 0.00010 0.00010 0.00000
|
|
266 12D+1 0.00681 0.00341 0.00341 0.00000
|
|
267 12D-1 0.00078 0.00039 0.00039 0.00000
|
|
268 12D+2 0.00182 0.00091 0.00091 0.00000
|
|
269 12D-2 0.00224 0.00112 0.00112 0.00000
|
|
270 13F 0 0.00003 0.00001 0.00001 0.00000
|
|
271 13F+1 0.00002 0.00001 0.00001 0.00000
|
|
272 13F-1 0.00001 0.00000 0.00000 0.00000
|
|
273 13F+2 0.00003 0.00001 0.00001 0.00000
|
|
274 13F-2 0.00002 0.00001 0.00001 0.00000
|
|
275 13F+3 0.00004 0.00002 0.00002 0.00000
|
|
276 13F-3 0.00004 0.00002 0.00002 0.00000
|
|
277 14F 0 0.00043 0.00021 0.00021 0.00000
|
|
278 14F+1 0.00008 0.00004 0.00004 0.00000
|
|
279 14F-1 0.00002 0.00001 0.00001 0.00000
|
|
280 14F+2 0.00044 0.00022 0.00022 0.00000
|
|
281 14F-2 0.00024 0.00012 0.00012 0.00000
|
|
282 14F+3 0.00032 0.00016 0.00016 0.00000
|
|
283 14F-3 0.00007 0.00004 0.00004 0.00000
|
|
284 15G 0 0.00000 0.00000 0.00000 0.00000
|
|
285 15G+1 0.00002 0.00001 0.00001 0.00000
|
|
286 15G-1 0.00000 0.00000 0.00000 0.00000
|
|
287 15G+2 0.00001 0.00000 0.00000 0.00000
|
|
288 15G-2 0.00000 0.00000 0.00000 0.00000
|
|
289 15G+3 0.00001 0.00000 0.00000 0.00000
|
|
290 15G-3 0.00001 0.00001 0.00001 0.00000
|
|
291 15G+4 0.00001 0.00001 0.00001 0.00000
|
|
292 15G-4 0.00001 0.00000 0.00000 0.00000
|
|
293 5 H 1S 0.03698 0.01849 0.01849 0.00000
|
|
294 2S 0.15107 0.07554 0.07554 0.00000
|
|
295 3S 0.40809 0.20404 0.20404 0.00000
|
|
296 4S 0.35532 0.17766 0.17766 0.00000
|
|
297 5S 0.03566 0.01783 0.01783 0.00000
|
|
298 6PX 0.00007 0.00003 0.00003 0.00000
|
|
299 6PY 0.00005 0.00002 0.00002 0.00000
|
|
300 6PZ 0.00016 0.00008 0.00008 0.00000
|
|
301 7PX 0.00061 0.00030 0.00030 0.00000
|
|
302 7PY 0.00049 0.00025 0.00025 0.00000
|
|
303 7PZ 0.00134 0.00067 0.00067 0.00000
|
|
304 8PX 0.00563 0.00282 0.00282 0.00000
|
|
305 8PY 0.00328 0.00164 0.00164 0.00000
|
|
306 8PZ 0.01068 0.00534 0.00534 0.00000
|
|
307 9PX 0.00630 0.00315 0.00315 0.00000
|
|
308 9PY 0.00156 0.00078 0.00078 0.00000
|
|
309 9PZ 0.00154 0.00077 0.00077 0.00000
|
|
310 10D 0 0.00002 0.00001 0.00001 0.00000
|
|
311 10D+1 0.00002 0.00001 0.00001 0.00000
|
|
312 10D-1 0.00002 0.00001 0.00001 0.00000
|
|
313 10D+2 0.00001 0.00000 0.00000 0.00000
|
|
314 10D-2 0.00000 0.00000 0.00000 0.00000
|
|
315 11D 0 0.00032 0.00016 0.00016 0.00000
|
|
316 11D+1 0.00037 0.00018 0.00018 0.00000
|
|
317 11D-1 0.00026 0.00013 0.00013 0.00000
|
|
318 11D+2 0.00007 0.00004 0.00004 0.00000
|
|
319 11D-2 0.00009 0.00005 0.00005 0.00000
|
|
320 12D 0 0.00096 0.00048 0.00048 0.00000
|
|
321 12D+1 0.00086 0.00043 0.00043 0.00000
|
|
322 12D-1 0.00023 0.00011 0.00011 0.00000
|
|
323 12D+2 0.00035 0.00018 0.00018 0.00000
|
|
324 12D-2 0.00003 0.00002 0.00002 0.00000
|
|
325 13F 0 0.00000 0.00000 0.00000 0.00000
|
|
326 13F+1 0.00001 0.00000 0.00000 0.00000
|
|
327 13F-1 0.00001 0.00000 0.00000 0.00000
|
|
328 13F+2 0.00000 0.00000 0.00000 0.00000
|
|
329 13F-2 0.00001 0.00000 0.00000 0.00000
|
|
330 13F+3 0.00000 0.00000 0.00000 0.00000
|
|
331 13F-3 0.00000 0.00000 0.00000 0.00000
|
|
332 14F 0 0.00009 0.00004 0.00004 0.00000
|
|
333 14F+1 0.00003 0.00002 0.00002 0.00000
|
|
334 14F-1 0.00004 0.00002 0.00002 0.00000
|
|
335 14F+2 -0.00003 -0.00002 -0.00002 0.00000
|
|
336 14F-2 0.00001 0.00001 0.00001 0.00000
|
|
337 14F+3 -0.00001 0.00000 0.00000 0.00000
|
|
338 14F-3 0.00001 0.00001 0.00001 0.00000
|
|
339 15G 0 0.00000 0.00000 0.00000 0.00000
|
|
340 15G+1 0.00000 0.00000 0.00000 0.00000
|
|
341 15G-1 0.00000 0.00000 0.00000 0.00000
|
|
342 15G+2 0.00000 0.00000 0.00000 0.00000
|
|
343 15G-2 0.00000 0.00000 0.00000 0.00000
|
|
344 15G+3 0.00000 0.00000 0.00000 0.00000
|
|
345 15G-3 0.00000 0.00000 0.00000 0.00000
|
|
346 15G+4 0.00000 0.00000 0.00000 0.00000
|
|
347 15G-4 0.00000 0.00000 0.00000 0.00000
|
|
348 6 H 1S 0.03698 0.01849 0.01849 0.00000
|
|
349 2S 0.15107 0.07554 0.07554 0.00000
|
|
350 3S 0.40809 0.20404 0.20404 0.00000
|
|
351 4S 0.35532 0.17766 0.17766 0.00000
|
|
352 5S 0.03566 0.01783 0.01783 0.00000
|
|
353 6PX 0.00007 0.00003 0.00003 0.00000
|
|
354 6PY 0.00005 0.00002 0.00002 0.00000
|
|
355 6PZ 0.00016 0.00008 0.00008 0.00000
|
|
356 7PX 0.00061 0.00030 0.00030 0.00000
|
|
357 7PY 0.00049 0.00025 0.00025 0.00000
|
|
358 7PZ 0.00134 0.00067 0.00067 0.00000
|
|
359 8PX 0.00563 0.00282 0.00282 0.00000
|
|
360 8PY 0.00328 0.00164 0.00164 0.00000
|
|
361 8PZ 0.01068 0.00534 0.00534 0.00000
|
|
362 9PX 0.00630 0.00315 0.00315 0.00000
|
|
363 9PY 0.00156 0.00078 0.00078 0.00000
|
|
364 9PZ 0.00154 0.00077 0.00077 0.00000
|
|
365 10D 0 0.00002 0.00001 0.00001 0.00000
|
|
366 10D+1 0.00002 0.00001 0.00001 0.00000
|
|
367 10D-1 0.00002 0.00001 0.00001 0.00000
|
|
368 10D+2 0.00001 0.00000 0.00000 0.00000
|
|
369 10D-2 0.00000 0.00000 0.00000 0.00000
|
|
370 11D 0 0.00032 0.00016 0.00016 0.00000
|
|
371 11D+1 0.00037 0.00018 0.00018 0.00000
|
|
372 11D-1 0.00026 0.00013 0.00013 0.00000
|
|
373 11D+2 0.00007 0.00004 0.00004 0.00000
|
|
374 11D-2 0.00009 0.00005 0.00005 0.00000
|
|
375 12D 0 0.00096 0.00048 0.00048 0.00000
|
|
376 12D+1 0.00086 0.00043 0.00043 0.00000
|
|
377 12D-1 0.00023 0.00011 0.00011 0.00000
|
|
378 12D+2 0.00035 0.00018 0.00018 0.00000
|
|
379 12D-2 0.00003 0.00002 0.00002 0.00000
|
|
380 13F 0 0.00000 0.00000 0.00000 0.00000
|
|
381 13F+1 0.00001 0.00000 0.00000 0.00000
|
|
382 13F-1 0.00001 0.00000 0.00000 0.00000
|
|
383 13F+2 0.00000 0.00000 0.00000 0.00000
|
|
384 13F-2 0.00001 0.00000 0.00000 0.00000
|
|
385 13F+3 0.00000 0.00000 0.00000 0.00000
|
|
386 13F-3 0.00000 0.00000 0.00000 0.00000
|
|
387 14F 0 0.00009 0.00004 0.00004 0.00000
|
|
388 14F+1 0.00003 0.00002 0.00002 0.00000
|
|
389 14F-1 0.00004 0.00002 0.00002 0.00000
|
|
390 14F+2 -0.00003 -0.00002 -0.00002 0.00000
|
|
391 14F-2 0.00001 0.00001 0.00001 0.00000
|
|
392 14F+3 -0.00001 0.00000 0.00000 0.00000
|
|
393 14F-3 0.00001 0.00001 0.00001 0.00000
|
|
394 15G 0 0.00000 0.00000 0.00000 0.00000
|
|
395 15G+1 0.00000 0.00000 0.00000 0.00000
|
|
396 15G-1 0.00000 0.00000 0.00000 0.00000
|
|
397 15G+2 0.00000 0.00000 0.00000 0.00000
|
|
398 15G-2 0.00000 0.00000 0.00000 0.00000
|
|
399 15G+3 0.00000 0.00000 0.00000 0.00000
|
|
400 15G-3 0.00000 0.00000 0.00000 0.00000
|
|
401 15G+4 0.00000 0.00000 0.00000 0.00000
|
|
402 15G-4 0.00000 0.00000 0.00000 0.00000
|
|
Condensed to atoms (all electrons):
|
|
1 2 3 4 5 6
|
|
1 C 4.237739 0.345769 0.399521 -0.043268 0.426867 0.426867
|
|
2 O 0.345769 7.947932 -0.030208 0.358811 -0.068860 -0.068860
|
|
3 H 0.399521 -0.030208 0.660457 0.008829 -0.039849 -0.039849
|
|
4 H -0.043268 0.358811 0.008829 0.405939 -0.006268 -0.006268
|
|
5 H 0.426867 -0.068860 -0.039849 -0.006268 0.808658 -0.097927
|
|
6 H 0.426867 -0.068860 -0.039849 -0.006268 -0.097927 0.808658
|
|
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 O 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
|
|
Mulliken charges and spin densities:
|
|
1 2
|
|
1 C 0.206504 0.000000
|
|
2 O -0.484584 0.000000
|
|
3 H 0.041100 0.000000
|
|
4 H 0.282224 0.000000
|
|
5 H -0.022621 0.000000
|
|
6 H -0.022621 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 0.202361 0.000000
|
|
2 O -0.202361 0.000000
|
|
Electronic spatial extent (au): <R**2>= 84.3717
|
|
Charge= 0.0000 electrons
|
|
Dipole moment (field-independent basis, Debye):
|
|
X= 1.4482 Y= 1.0509 Z= 0.0000 Tot= 1.7893
|
|
Quadrupole moment (field-independent basis, Debye-Ang):
|
|
XX= -11.6623 YY= -13.4275 ZZ= -13.7223
|
|
XY= -2.1420 XZ= 0.0000 YZ= 0.0000
|
|
Traceless Quadrupole moment (field-independent basis, Debye-Ang):
|
|
XX= 1.2750 YY= -0.4901 ZZ= -0.7849
|
|
XY= -2.1420 XZ= 0.0000 YZ= 0.0000
|
|
Octapole moment (field-independent basis, Debye-Ang**2):
|
|
XXX= 1.2328 YYY= -3.5661 ZZZ= 0.0000 XYY= 2.4088
|
|
XXY= -2.2751 XXZ= 0.0000 XZZ= 0.6936 YZZ= -0.2184
|
|
YYZ= 0.0000 XYZ= 0.0000
|
|
Hexadecapole moment (field-independent basis, Debye-Ang**3):
|
|
XXXX= -18.9346 YYYY= -62.9421 ZZZZ= -19.7338 XXXY= -1.3992
|
|
XXXZ= 0.0000 YYYX= -1.4435 YYYZ= 0.0000 ZZZX= 0.0000
|
|
ZZZY= 0.0000 XXYY= -12.3988 XXZZ= -6.8894 YYZZ= -14.2188
|
|
XXYZ= 0.0000 YYXZ= 0.0000 ZZXY= 0.9537
|
|
N-N= 4.031191798138D+01 E-N=-3.518394167572D+02 KE= 1.149554260802D+02
|
|
Symmetry A' KE= 1.084068835935D+02
|
|
Symmetry A" KE= 6.548542486705D+00
|
|
Orbital energies and kinetic energies (alpha):
|
|
1 2
|
|
1 O -20.556908 29.200992
|
|
2 O -11.271950 16.027365
|
|
3 O -1.358968 2.539657
|
|
4 O -0.923306 1.501555
|
|
5 O -0.692233 1.625921
|
|
6 O -0.618920 1.314186
|
|
7 O -0.594124 1.664996
|
|
8 O -0.503276 1.642956
|
|
9 O -0.451215 1.960085
|
|
10 V 0.088682 0.267913
|
|
11 V 0.120826 0.317611
|
|
12 V 0.140217 0.239951
|
|
13 V 0.146217 0.262565
|
|
14 V 0.192626 0.326957
|
|
15 V 0.214835 0.309230
|
|
16 V 0.228093 0.308686
|
|
17 V 0.329213 0.504041
|
|
18 V 0.375636 0.782225
|
|
19 V 0.389710 0.686465
|
|
20 V 0.410170 0.620129
|
|
21 V 0.421928 1.024336
|
|
22 V 0.433775 1.299200
|
|
23 V 0.448179 1.027503
|
|
24 V 0.469104 1.024860
|
|
25 V 0.496183 1.339015
|
|
26 V 0.533831 0.624877
|
|
27 V 0.550036 0.672660
|
|
28 V 0.570486 0.683885
|
|
29 V 0.597930 0.831308
|
|
30 V 0.618279 0.858081
|
|
31 V 0.664447 0.733214
|
|
32 V 0.693147 0.854982
|
|
33 V 0.736623 0.859393
|
|
34 V 0.757590 1.011521
|
|
35 V 0.803368 0.975293
|
|
36 V 0.818680 1.834238
|
|
37 V 0.871725 1.254637
|
|
38 V 0.883809 1.005921
|
|
39 V 0.885045 1.287062
|
|
40 V 0.921423 1.247534
|
|
41 V 0.945422 1.182533
|
|
42 V 0.960946 1.116961
|
|
43 V 1.001201 1.200937
|
|
44 V 1.040058 1.754776
|
|
45 V 1.040548 1.671672
|
|
46 V 1.083534 1.856388
|
|
47 V 1.117129 1.593288
|
|
48 V 1.175042 1.851649
|
|
49 V 1.204971 1.468325
|
|
50 V 1.215283 1.549626
|
|
51 V 1.265926 1.490107
|
|
52 V 1.339996 1.805697
|
|
53 V 1.409905 1.852404
|
|
54 V 1.439534 1.934334
|
|
55 V 1.450639 1.803206
|
|
56 V 1.458225 1.642776
|
|
57 V 1.495335 1.779005
|
|
58 V 1.531483 1.775884
|
|
59 V 1.567990 1.710622
|
|
60 V 1.609650 1.932205
|
|
61 V 1.643236 2.045765
|
|
62 V 1.651478 2.184004
|
|
63 V 1.665877 2.010364
|
|
64 V 1.765659 1.935894
|
|
65 V 1.769220 1.930176
|
|
66 V 1.780289 1.959723
|
|
67 V 1.823859 2.072589
|
|
68 V 1.858029 2.023945
|
|
69 V 1.879306 2.239926
|
|
70 V 1.910934 2.131525
|
|
71 V 1.915363 2.369557
|
|
72 V 1.971839 2.415076
|
|
73 V 1.996039 2.374808
|
|
74 V 2.006015 2.640467
|
|
75 V 2.033391 2.335180
|
|
76 V 2.048793 2.362479
|
|
77 V 2.079127 2.584157
|
|
78 V 2.089598 2.522371
|
|
79 V 2.151076 2.603880
|
|
80 V 2.165221 2.703355
|
|
81 V 2.219407 2.572742
|
|
82 V 2.242130 2.642375
|
|
83 V 2.248327 2.532151
|
|
84 V 2.259046 2.486647
|
|
85 V 2.296804 2.740351
|
|
86 V 2.327854 2.732430
|
|
87 V 2.359396 2.548523
|
|
88 V 2.414560 2.751319
|
|
89 V 2.447457 2.755137
|
|
90 V 2.460407 2.786366
|
|
91 V 2.498996 2.709986
|
|
92 V 2.557178 2.877331
|
|
93 V 2.627040 3.413991
|
|
94 V 2.667217 3.119303
|
|
95 V 2.669963 3.085869
|
|
96 V 2.751868 3.053495
|
|
97 V 2.758960 3.587382
|
|
98 V 2.825744 3.499885
|
|
99 V 2.847672 3.500923
|
|
100 V 2.910870 3.636370
|
|
101 V 3.000889 3.875469
|
|
102 V 3.050116 3.385270
|
|
103 V 3.147709 3.986183
|
|
104 V 3.172032 3.515338
|
|
105 V 3.216175 3.639283
|
|
106 V 3.229701 3.750284
|
|
107 V 3.265307 3.661677
|
|
108 V 3.286497 4.136015
|
|
109 V 3.327235 3.845751
|
|
110 V 3.335070 3.906519
|
|
111 V 3.411540 3.809453
|
|
112 V 3.432755 3.949856
|
|
113 V 3.481343 4.073032
|
|
114 V 3.523067 4.050121
|
|
115 V 3.526246 3.968582
|
|
116 V 3.663232 4.084726
|
|
117 V 3.710391 4.214400
|
|
118 V 3.736570 4.555758
|
|
119 V 3.802128 4.406556
|
|
120 V 3.831910 4.373267
|
|
121 V 3.844336 4.397834
|
|
122 V 3.853374 4.143803
|
|
123 V 3.925916 4.412036
|
|
124 V 3.973738 4.254463
|
|
125 V 4.011787 4.510368
|
|
126 V 4.052757 4.573925
|
|
127 V 4.070730 4.590497
|
|
128 V 4.142464 5.104913
|
|
129 V 4.165948 4.325322
|
|
130 V 4.180118 4.738316
|
|
131 V 4.225605 5.352900
|
|
132 V 4.241711 4.443609
|
|
133 V 4.252133 4.630685
|
|
134 V 4.282220 4.688842
|
|
135 V 4.360668 4.844393
|
|
136 V 4.461164 4.909255
|
|
137 V 4.487322 5.025257
|
|
138 V 4.496346 5.362741
|
|
139 V 4.536550 4.854877
|
|
140 V 4.575491 4.949080
|
|
141 V 4.636061 5.093447
|
|
142 V 4.678089 5.042234
|
|
143 V 4.696098 5.618129
|
|
144 V 4.726297 5.132450
|
|
145 V 4.743672 5.438231
|
|
146 V 4.763772 5.109361
|
|
147 V 4.805692 5.665346
|
|
148 V 4.806939 5.242293
|
|
149 V 4.844450 5.154937
|
|
150 V 4.876758 5.236860
|
|
151 V 4.887947 5.497757
|
|
152 V 4.919076 5.517682
|
|
153 V 4.924767 5.293172
|
|
154 V 4.945946 5.539026
|
|
155 V 4.958741 5.174566
|
|
156 V 5.010674 5.296261
|
|
157 V 5.080335 5.411955
|
|
158 V 5.129766 6.027580
|
|
159 V 5.154798 5.641611
|
|
160 V 5.191442 5.952192
|
|
161 V 5.263835 5.787998
|
|
162 V 5.282694 5.905580
|
|
163 V 5.325433 6.380049
|
|
164 V 5.413712 5.717701
|
|
165 V 5.428693 5.921057
|
|
166 V 5.433800 6.071218
|
|
167 V 5.481822 5.744497
|
|
168 V 5.498049 5.844708
|
|
169 V 5.514128 5.970026
|
|
170 V 5.563723 6.419496
|
|
171 V 5.580552 5.879326
|
|
172 V 5.632984 6.186128
|
|
173 V 5.677414 6.076127
|
|
174 V 5.736692 6.546842
|
|
175 V 5.792786 6.633806
|
|
176 V 5.821857 6.558977
|
|
177 V 5.879071 6.744362
|
|
178 V 5.956672 7.461583
|
|
179 V 5.958061 6.477339
|
|
180 V 5.980271 6.326003
|
|
181 V 6.065751 6.593931
|
|
182 V 6.095271 6.653214
|
|
183 V 6.160157 6.802490
|
|
184 V 6.166149 7.407847
|
|
185 V 6.348806 7.254438
|
|
186 V 6.355456 6.859473
|
|
187 V 6.405987 7.164763
|
|
188 V 6.450656 7.211778
|
|
189 V 6.525324 7.132902
|
|
190 V 6.616983 7.574063
|
|
191 V 6.706892 7.257003
|
|
192 V 6.774333 7.978811
|
|
193 V 6.794717 7.570393
|
|
194 V 6.909837 7.782634
|
|
195 V 6.937984 7.452104
|
|
196 V 7.072664 7.661624
|
|
197 V 7.083319 7.699363
|
|
198 V 7.128463 7.682698
|
|
199 V 7.194615 8.001420
|
|
200 V 7.199276 8.199416
|
|
201 V 7.264151 8.264010
|
|
202 V 7.331289 8.183707
|
|
203 V 7.413346 8.022806
|
|
204 V 7.439886 8.202256
|
|
205 V 7.486468 8.204688
|
|
206 V 7.526071 8.455830
|
|
207 V 7.547935 8.352505
|
|
208 V 7.685595 8.337390
|
|
209 V 7.689474 8.678303
|
|
210 V 7.763716 8.428262
|
|
211 V 7.793832 8.571757
|
|
212 V 7.913328 8.642614
|
|
213 V 7.969228 8.659176
|
|
214 V 7.998182 8.961249
|
|
215 V 8.071421 8.691182
|
|
216 V 8.083877 8.936787
|
|
217 V 8.186963 8.974802
|
|
218 V 8.258245 9.242514
|
|
219 V 8.328719 9.581391
|
|
220 V 8.354316 9.562130
|
|
221 V 8.596254 10.084685
|
|
222 V 8.615648 9.713876
|
|
223 V 8.886073 10.900451
|
|
224 V 9.050264 10.735147
|
|
225 V 9.284139 11.336259
|
|
226 V 9.442325 10.976228
|
|
227 V 9.495991 10.266236
|
|
228 V 9.550086 10.973580
|
|
229 V 9.577500 10.705300
|
|
230 V 9.622100 10.702069
|
|
231 V 9.690232 12.181725
|
|
232 V 9.759849 10.847138
|
|
233 V 9.837421 11.245473
|
|
234 V 9.875501 12.319241
|
|
235 V 9.918846 10.878172
|
|
236 V 9.933022 10.837881
|
|
237 V 10.094874 11.213490
|
|
238 V 10.251708 12.054843
|
|
239 V 10.324008 11.436535
|
|
240 V 10.328864 11.781267
|
|
241 V 10.430349 11.557840
|
|
242 V 10.463050 11.687573
|
|
243 V 10.483191 11.407838
|
|
244 V 10.531187 12.412011
|
|
245 V 10.573244 11.833747
|
|
246 V 10.626060 11.727826
|
|
247 V 10.781658 11.832300
|
|
248 V 10.896443 12.225842
|
|
249 V 10.910784 12.231766
|
|
250 V 11.337314 12.843206
|
|
251 V 11.338568 12.538959
|
|
252 V 11.381220 12.996519
|
|
253 V 11.441564 13.851091
|
|
254 V 11.523002 13.518981
|
|
255 V 11.609974 13.657900
|
|
256 V 11.782772 13.825032
|
|
257 V 11.802562 13.229266
|
|
258 V 11.828325 13.330560
|
|
259 V 12.075500 17.746432
|
|
260 V 12.451410 14.040742
|
|
261 V 12.486143 13.318212
|
|
262 V 12.486444 14.416929
|
|
263 V 12.518537 13.083479
|
|
264 V 12.628294 13.067496
|
|
265 V 12.669682 13.244187
|
|
266 V 12.685117 13.875119
|
|
267 V 12.710514 13.130977
|
|
268 V 12.737371 13.466555
|
|
269 V 12.746737 13.328932
|
|
270 V 12.750254 13.257295
|
|
271 V 12.787029 13.190006
|
|
272 V 12.790188 13.320024
|
|
273 V 12.834807 13.396332
|
|
274 V 12.842127 13.347913
|
|
275 V 12.886988 14.171917
|
|
276 V 12.918680 13.624063
|
|
277 V 12.947657 14.350874
|
|
278 V 12.970986 13.597432
|
|
279 V 12.978352 13.598266
|
|
280 V 13.006337 13.488161
|
|
281 V 13.007229 13.961906
|
|
282 V 13.041611 14.413588
|
|
283 V 13.093741 14.471905
|
|
284 V 13.112894 14.505079
|
|
285 V 13.155142 13.817259
|
|
286 V 13.167388 13.856685
|
|
287 V 13.260587 15.515628
|
|
288 V 13.327822 14.515986
|
|
289 V 13.367454 13.874489
|
|
290 V 13.385896 14.025495
|
|
291 V 13.397577 14.110810
|
|
292 V 13.505331 14.319772
|
|
293 V 13.550731 14.470603
|
|
294 V 13.580503 14.075559
|
|
295 V 13.614088 14.294906
|
|
296 V 13.689273 14.691272
|
|
297 V 13.695502 14.248412
|
|
298 V 13.753877 14.434353
|
|
299 V 13.820597 15.033278
|
|
300 V 13.832805 15.306999
|
|
301 V 13.834863 14.490986
|
|
302 V 14.031211 14.634219
|
|
303 V 14.032231 14.714053
|
|
304 V 14.062247 14.652932
|
|
305 V 14.083195 14.737595
|
|
306 V 14.102709 14.742377
|
|
307 V 14.130126 14.937921
|
|
308 V 14.152038 15.049666
|
|
309 V 14.194259 14.981409
|
|
310 V 14.251988 14.919061
|
|
311 V 14.283786 15.115879
|
|
312 V 14.346246 15.045792
|
|
313 V 14.364773 15.082875
|
|
314 V 14.365266 15.478003
|
|
315 V 14.386598 15.009547
|
|
316 V 14.406394 15.266131
|
|
317 V 14.428472 15.199257
|
|
318 V 14.444461 15.407324
|
|
319 V 14.477587 15.937335
|
|
320 V 14.485557 15.415013
|
|
321 V 14.556997 15.466144
|
|
322 V 14.610794 15.469078
|
|
323 V 14.722466 15.411478
|
|
324 V 14.740090 15.381789
|
|
325 V 14.762077 15.574215
|
|
326 V 14.813695 15.456088
|
|
327 V 14.833066 16.726638
|
|
328 V 14.864274 16.231852
|
|
329 V 14.924121 15.971829
|
|
330 V 14.948991 15.706165
|
|
331 V 15.057777 16.114913
|
|
332 V 15.168558 16.349340
|
|
333 V 15.381486 16.535763
|
|
334 V 15.444354 16.337716
|
|
335 V 15.488055 17.123579
|
|
336 V 15.563115 16.712668
|
|
337 V 15.726953 16.631461
|
|
338 V 15.741783 16.881638
|
|
339 V 15.776546 16.732832
|
|
340 V 15.890522 17.240165
|
|
341 V 15.922562 16.779021
|
|
342 V 16.013629 18.063765
|
|
343 V 16.098862 17.214963
|
|
344 V 16.157011 16.891039
|
|
345 V 16.215871 17.299387
|
|
346 V 16.418591 17.286195
|
|
347 V 16.429905 17.958345
|
|
348 V 16.697077 18.780147
|
|
349 V 16.771024 23.569528
|
|
350 V 16.783028 19.202167
|
|
351 V 16.816020 18.679554
|
|
352 V 16.992028 18.668458
|
|
353 V 17.336049 18.823854
|
|
354 V 17.476213 18.437606
|
|
355 V 17.569999 19.081571
|
|
356 V 17.570337 18.579011
|
|
357 V 17.753211 21.221972
|
|
358 V 17.799461 19.350528
|
|
359 V 17.887237 19.046945
|
|
360 V 17.892400 19.154290
|
|
361 V 17.953947 19.887664
|
|
362 V 17.967595 20.931353
|
|
363 V 17.991344 19.412343
|
|
364 V 18.097804 19.626871
|
|
365 V 18.267025 19.699644
|
|
366 V 18.301901 19.850867
|
|
367 V 18.336633 20.095015
|
|
368 V 18.451318 19.723837
|
|
369 V 18.514057 21.211294
|
|
370 V 18.629231 19.805147
|
|
371 V 18.835511 21.104525
|
|
372 V 18.876596 21.151230
|
|
373 V 18.936692 21.469780
|
|
374 V 18.941637 21.407017
|
|
375 V 19.014555 22.189232
|
|
376 V 19.049173 21.074907
|
|
377 V 19.152330 21.113591
|
|
378 V 19.306366 22.466824
|
|
379 V 19.456226 21.544226
|
|
380 V 19.542405 21.672684
|
|
381 V 19.678559 21.782745
|
|
382 V 19.714342 22.022326
|
|
383 V 19.869379 22.926974
|
|
384 V 20.116065 23.329424
|
|
385 V 20.203367 23.227286
|
|
386 V 20.350559 23.376440
|
|
387 V 20.736922 23.228067
|
|
388 V 20.764550 23.005179
|
|
389 V 20.787684 23.223837
|
|
390 V 21.042271 25.618626
|
|
391 V 21.086093 24.524942
|
|
392 V 21.420498 25.654547
|
|
393 V 22.713567 27.942766
|
|
394 V 22.971779 28.269909
|
|
395 V 23.160563 28.317052
|
|
396 V 23.478241 27.234191
|
|
397 V 23.801121 27.627849
|
|
398 V 24.115170 29.633159
|
|
399 V 25.444814 31.114877
|
|
400 V 26.144944 31.135652
|
|
401 V 42.592839 81.760612
|
|
402 V 64.995685 133.442027
|
|
Total kinetic energy from orbitals= 1.149554260802D+02
|
|
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 O(17) 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
|
|
--------------------------------------------------------
|
|
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
|
|
--------------------------------------------------------
|
|
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
|
|
--------------------------------------------------------
|
|
|
|
|
|
---------------------------------------------------------------------------------
|
|
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 O(17) 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
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---------------------------------------------------------------------------------
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No NMR shielding tensors so no spin-rotation constants.
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Leave Link 601 at Wed Apr 3 20:17:01 2019, MaxMem= 13421772800 cpu: 45.5
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(Enter /share/apps/gaussian/g09d01/nehalem/g09/l9999.exe)
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1\1\GINC-COMPUTE-3-5\SP\ROCCSD(T)-FC\CC-pV5Z\C1H4O1\LOOS\03-Apr-2019\0
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\\#p ROCCSD(T) cc-pV5Z pop=full gfprint\\G2\\0,1\C\O,1,1.41526798\H,1,
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1.09348232,2,106.94071399\H,2,0.96129158,1,107.8511363,3,180.,0\X,1,1.
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,2,131.31510075,3,180.,0\H,1,1.10037418,5,54.13726394,2,90.,0\H,1,1.10
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037418,5,54.13726394,2,-90.,0\\Version=ES64L-G09RevD.01\State=1-A'\HF=
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-115.1009786\MP2=-115.5730354\MP3=-115.5812154\PUHF=-115.1009786\PMP2-
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0=-115.5730354\MP4SDQ=-115.5841726\CCSD=-115.583666\CCSD(T)=-115.60107
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85\RMSD=4.777e-09\PG=CS [SG(C1H2O1),X(H2)]\\@
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"THE ACADEMIC HIERARCHY"
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THE PRESIDENT:
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LEAPS TALL BUILDINGS IN A SINGLE BOUND,
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IS MORE POWERFUL THAN A LOCOMOTIVE,
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IS FASTER THAN A SPEEDING BULLET,
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WALKS ON WATER,
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GIVES POLICY TO GOD.
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THE VICE PRESIDENT FOR ACADEMIC AFFAIRS:
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LEAPS SHORT BUILDINGS IN A SINGLE BOUND,
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IS MORE POWERFUL THAN A SWITCH ENGINE,
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IS JUST AS FAST AS A SPEEDING BULLET,
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WALKS ON WATER IF SEA IS CALM,
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TALKS WITH GOD.
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PROFESSOR:
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LEAPS SHORT BUILDINGS WITH A RUNNING START AND FAVORABLE WINDS,
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IS ALMOST AS POWERFUL AS A SWITCH ENGINE,
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CAN FIRE A SPEEDING BULLET,
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WALKS ON WATER IN AN INDOOR SWIMMING POOL,
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TALKS WITH GOD IF SPECIAL REQUEST IS APPROVED.
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ASSOCIATE PROFESSOR:
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BARELY CLEARS A QUONSET HUT,
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LOSES TUG OF WAR WITH LOCOMOTIVE,
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MISFIRES FREQUENTLY,
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SWIMS WELL,
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IS OCCASIONALLY ADDRESSED BY GOD.
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ASSISTANT PROFESSOR:
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MAKES HIGH MARKS ON WALLS WHEN TRYING TO LEAP TALL BUILDINGS,
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IS RUN OVER BY LOCOMOTIVES,
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CAN SOMETIMES HANDLE A GUN WITHOUT INFLICTING SELF INJURY,
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DOG PADDLES,
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TALKS TO ANIMALS.
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GRADUATE STUDENT:
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RUNS INTO BUILDINGS,
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RECOGNIZES LOCOMOTIVES TWO OUT OF THREE TIMES,
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IS NOT ISSUED AMMUNITION,
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CAN STAY AFLOAT WITH A LIFE JACKET,
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|
TALKS TO WALLS.
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UNDERGRADUATE AND WORK STUDY STUDENT:
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FALLS OVER DOORSTEP WHEN TRYING TO ENTER BUILDINGS,
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SAYS, "LOOK AT THE CHOO-CHOO,"
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WETS HIMSELF WITH A WATER PISTOL,
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PLAYS IN MUD PUDDLES,
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MUMBLES TO HIMSELF.
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DEPARTMENT SECRETARY:
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LIFTS TALL BUILDINGS AND WALKS UNDER THEM,
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KICKS LOCOMOTIVES OFF THE TRACKS,
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CATCHES SPEEDING BULLETS IN HER TEETH AND EATS THEM,
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FREEZES WATER WITH A SINGLE GLANCE,
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IS GOD.
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Job cpu time: 4 days 18 hours 5 minutes 36.6 seconds.
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File lengths (MBytes): RWF= 15121 Int= 0 D2E= 0 Chk= 14 Scr= 1
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Normal termination of Gaussian 09 at Wed Apr 3 20:17:01 2019.
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