85832 lines
5.8 MiB
85832 lines
5.8 MiB
Entering Gaussian System, Link 0=g09
|
|
Input=H3CSH.inp
|
|
Output=H3CSH.out
|
|
Initial command:
|
|
/share/apps/gaussian/g09d01/nehalem/g09/l1.exe "/mnt/beegfs/tmpdir/42440/Gau-134773.inp" -scrdir="/mnt/beegfs/tmpdir/42440/"
|
|
Entering Link 1 = /share/apps/gaussian/g09d01/nehalem/g09/l1.exe PID= 134774.
|
|
|
|
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.
|
|
---------------------------------------------------------------
|
|
|
|
|
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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.
|
|
|
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******************************************
|
|
Gaussian 09: ES64L-G09RevD.01 24-Apr-2013
|
|
3-Apr-2019
|
|
******************************************
|
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%nproc=24
|
|
Will use up to 24 processors via shared memory.
|
|
%mem=100GB
|
|
-------------------------------------
|
|
#p ROCCSD(T) cc-pV5Z pop=full gfprint
|
|
-------------------------------------
|
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1/38=1/1;
|
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2/12=2,17=6,18=5,40=1/2;
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3/5=16,6=3,11=2,16=1,24=100,25=1,30=1,116=101/1,2,3;
|
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4//1;
|
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5/5=2,38=5/2;
|
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8/5=-1,6=4,9=120000,10=1/1,4;
|
|
9/5=7,14=2/13;
|
|
6/7=3/1;
|
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99/5=1,9=1/99;
|
|
Leave Link 1 at Wed Apr 3 20:17:01 2019, MaxMem= 13421772800 cpu: 2.0
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(Enter /share/apps/gaussian/g09d01/nehalem/g09/l101.exe)
|
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--
|
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G2
|
|
--
|
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Symbolic Z-matrix:
|
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Charge = 0 Multiplicity = 1
|
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C
|
|
S 1 CS
|
|
H 2 SH 1 CSH
|
|
H 1 CHA 2 HACS 3 180. 0
|
|
X 1 1. 2 XCS 3 0. 0
|
|
H 1 CHB 5 HALF 2 90. 0
|
|
H 1 CHB 5 HALF 2 -90. 0
|
|
Variables:
|
|
CS 1.82939
|
|
SH 1.34584
|
|
CHA 1.0914
|
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CHB 1.0907
|
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CSH 97.10359
|
|
HACS 106.02326
|
|
XCS 129.48465
|
|
HALF 55.21416
|
|
|
|
NAtoms= 6 NQM= 6 NQMF= 0 NMMI= 0 NMMIF= 0
|
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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 32 1 1 1 1
|
|
AtmWgt= 12.0000000 31.9720718 1.0078250 1.0078250 1.0078250 1.0078250
|
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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
|
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NMagM= 0.0000000 0.0000000 2.7928460 2.7928460 2.7928460 2.7928460
|
|
AtZNuc= 6.0000000 16.0000000 1.0000000 1.0000000 1.0000000 1.0000000
|
|
Leave Link 101 at Wed Apr 3 20:17:02 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 16 0 0.000000 0.000000 1.829390
|
|
3 1 0 1.335512 0.000000 1.995822
|
|
4 1 0 -1.048998 0.000000 -0.301256
|
|
5 1 0 0.480253 0.895780 -0.395674
|
|
6 1 0 0.480253 -0.895780 -0.395674
|
|
---------------------------------------------------------------------
|
|
Distance matrix (angstroms):
|
|
1 2 3 4 5
|
|
1 C 0.000000
|
|
2 S 1.829390 0.000000
|
|
3 H 2.401437 1.345843 0.000000
|
|
4 H 1.091399 2.374879 3.310960 0.000000
|
|
5 H 1.090698 2.446217 2.693166 1.774808 0.000000
|
|
6 H 1.090698 2.446217 2.693166 1.774808 1.791560
|
|
6
|
|
6 H 0.000000
|
|
Stoichiometry CH4S
|
|
Framework group CS[SG(CH2S),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 -0.047962 1.160518 0.000000
|
|
2 16 0 -0.047962 -0.668872 0.000000
|
|
3 1 0 1.287550 -0.835304 0.000000
|
|
4 1 0 -1.096960 1.461774 0.000000
|
|
5 1 0 0.432291 1.556192 0.895780
|
|
6 1 0 0.432291 1.556192 -0.895780
|
|
---------------------------------------------------------------------
|
|
Rotational constants (GHZ): 102.6550132 12.7717235 12.2491091
|
|
Leave Link 202 at Wed Apr 3 20:17:02 2019, MaxMem= 13421772800 cpu: 0.3
|
|
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l301.exe)
|
|
Standard basis: CC-pV5Z (5D, 7F)
|
|
Ernie: Thresh= 0.10000D-02 Tol= 0.10000D-05 Strict=F.
|
|
Ernie: 23 primitive shells out of 196 were deleted.
|
|
AO basis set (Overlap normalization):
|
|
Atom C1 Shell 1 S 9 bf 1 - 1 -0.090635670085 2.193060453655 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 -0.090635670085 2.193060453655 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 -0.090635670085 2.193060453655 0.000000000000
|
|
0.1656000000D+01 0.1000000000D+01
|
|
Atom C1 Shell 4 S 1 bf 4 - 4 -0.090635670085 2.193060453655 0.000000000000
|
|
0.6333000000D+00 0.1000000000D+01
|
|
Atom C1 Shell 5 S 1 bf 5 - 5 -0.090635670085 2.193060453655 0.000000000000
|
|
0.2545000000D+00 0.1000000000D+01
|
|
Atom C1 Shell 6 S 1 bf 6 - 6 -0.090635670085 2.193060453655 0.000000000000
|
|
0.1019000000D+00 0.1000000000D+01
|
|
Atom C1 Shell 7 P 4 bf 7 - 9 -0.090635670085 2.193060453655 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 -0.090635670085 2.193060453655 0.000000000000
|
|
0.1085000000D+01 0.1000000000D+01
|
|
Atom C1 Shell 9 P 1 bf 13 - 15 -0.090635670085 2.193060453655 0.000000000000
|
|
0.4496000000D+00 0.1000000000D+01
|
|
Atom C1 Shell 10 P 1 bf 16 - 18 -0.090635670085 2.193060453655 0.000000000000
|
|
0.1876000000D+00 0.1000000000D+01
|
|
Atom C1 Shell 11 P 1 bf 19 - 21 -0.090635670085 2.193060453655 0.000000000000
|
|
0.7606000000D-01 0.1000000000D+01
|
|
Atom C1 Shell 12 D 1 bf 22 - 26 -0.090635670085 2.193060453655 0.000000000000
|
|
0.3134000000D+01 0.1000000000D+01
|
|
Atom C1 Shell 13 D 1 bf 27 - 31 -0.090635670085 2.193060453655 0.000000000000
|
|
0.1233000000D+01 0.1000000000D+01
|
|
Atom C1 Shell 14 D 1 bf 32 - 36 -0.090635670085 2.193060453655 0.000000000000
|
|
0.4850000000D+00 0.1000000000D+01
|
|
Atom C1 Shell 15 D 1 bf 37 - 41 -0.090635670085 2.193060453655 0.000000000000
|
|
0.1910000000D+00 0.1000000000D+01
|
|
Atom C1 Shell 16 F 1 bf 42 - 48 -0.090635670085 2.193060453655 0.000000000000
|
|
0.2006000000D+01 0.1000000000D+01
|
|
Atom C1 Shell 17 F 1 bf 49 - 55 -0.090635670085 2.193060453655 0.000000000000
|
|
0.8380000000D+00 0.1000000000D+01
|
|
Atom C1 Shell 18 F 1 bf 56 - 62 -0.090635670085 2.193060453655 0.000000000000
|
|
0.3500000000D+00 0.1000000000D+01
|
|
Atom C1 Shell 19 G 1 bf 63 - 71 -0.090635670085 2.193060453655 0.000000000000
|
|
0.1753000000D+01 0.1000000000D+01
|
|
Atom C1 Shell 20 G 1 bf 72 - 80 -0.090635670085 2.193060453655 0.000000000000
|
|
0.6780000000D+00 0.1000000000D+01
|
|
Atom C1 Shell 21 H 1 bf 81 - 91 -0.090635670085 2.193060453655 0.000000000000
|
|
0.1259000000D+01 0.1000000000D+01
|
|
Atom S2 Shell 22 S 14 bf 92 - 92 -0.090635670085 -1.263985693276 0.000000000000
|
|
0.5481000000D+07 0.1890848184D-05
|
|
0.8206000000D+06 0.1472665476D-04
|
|
0.1867000000D+06 0.7754533000D-04
|
|
0.5288000000D+05 0.3273682939D-03
|
|
0.1725000000D+05 0.1194193128D-02
|
|
0.6226000000D+04 0.3885677992D-02
|
|
0.2429000000D+04 0.1153878457D-01
|
|
0.1007000000D+04 0.3128839222D-01
|
|
0.4395000000D+03 0.7647063933D-01
|
|
0.1998000000D+03 0.1627589358D+00
|
|
0.9392000000D+02 0.2794030593D+00
|
|
0.4534000000D+02 0.3331494181D+00
|
|
0.2215000000D+02 0.2097751397D+00
|
|
0.1034000000D+02 0.4177825994D-01
|
|
Atom S2 Shell 23 S 10 bf 93 - 93 -0.090635670085 -1.263985693276 0.000000000000
|
|
0.6226000000D+04 -0.1644189856D-04
|
|
0.2429000000D+04 -0.8395175187D-04
|
|
0.1007000000D+04 -0.7182549774D-03
|
|
0.4395000000D+03 -0.3628211117D-02
|
|
0.1998000000D+03 -0.1835728690D-01
|
|
0.9392000000D+02 -0.6694700200D-01
|
|
0.4534000000D+02 -0.1887536533D+00
|
|
0.2215000000D+02 -0.2235570573D+00
|
|
0.1034000000D+02 0.2454686226D+00
|
|
0.5119000000D+01 0.9898434778D+00
|
|
Atom S2 Shell 24 S 8 bf 94 - 94 -0.090635670085 -1.263985693276 0.000000000000
|
|
0.1007000000D+04 -0.3782362208D-04
|
|
0.1998000000D+03 -0.3587621949D-03
|
|
0.9392000000D+02 0.1946162618D-03
|
|
0.4534000000D+02 0.3259358424D-03
|
|
0.2215000000D+02 0.9353087478D-02
|
|
0.1034000000D+02 -0.1512627564D-01
|
|
0.5119000000D+01 -0.1619403854D+00
|
|
0.2553000000D+01 -0.8432237352D+00
|
|
Atom S2 Shell 25 S 1 bf 95 - 95 -0.090635670085 -1.263985693276 0.000000000000
|
|
0.1282000000D+01 0.1000000000D+01
|
|
Atom S2 Shell 26 S 1 bf 96 - 96 -0.090635670085 -1.263985693276 0.000000000000
|
|
0.5450000000D+00 0.1000000000D+01
|
|
Atom S2 Shell 27 S 1 bf 97 - 97 -0.090635670085 -1.263985693276 0.000000000000
|
|
0.2411000000D+00 0.1000000000D+01
|
|
Atom S2 Shell 28 S 1 bf 98 - 98 -0.090635670085 -1.263985693276 0.000000000000
|
|
0.1035000000D+00 0.1000000000D+01
|
|
Atom S2 Shell 29 P 7 bf 99 - 101 -0.090635670085 -1.263985693276 0.000000000000
|
|
0.2200000000D+04 0.6954977303D-03
|
|
0.5214000000D+03 0.5926364796D-02
|
|
0.1690000000D+03 0.3140579565D-01
|
|
0.6405000000D+02 0.1129114949D+00
|
|
0.2672000000D+02 0.2790708459D+00
|
|
0.1183000000D+02 0.4300466475D+00
|
|
0.5378000000D+01 0.3095957802D+00
|
|
Atom S2 Shell 30 P 6 bf 102 - 104 -0.090635670085 -1.263985693276 0.000000000000
|
|
0.1690000000D+03 -0.3563831170D-03
|
|
0.6405000000D+02 -0.6962694791D-02
|
|
0.2672000000D+02 -0.4853844701D-01
|
|
0.1183000000D+02 -0.1831657083D+00
|
|
0.5378000000D+01 -0.4179558450D+00
|
|
0.2482000000D+01 -0.4592137962D+00
|
|
Atom S2 Shell 31 P 1 bf 105 - 107 -0.090635670085 -1.263985693276 0.000000000000
|
|
0.1116000000D+01 0.1000000000D+01
|
|
Atom S2 Shell 32 P 1 bf 108 - 110 -0.090635670085 -1.263985693276 0.000000000000
|
|
0.4848000000D+00 0.1000000000D+01
|
|
Atom S2 Shell 33 P 1 bf 111 - 113 -0.090635670085 -1.263985693276 0.000000000000
|
|
0.2006000000D+00 0.1000000000D+01
|
|
Atom S2 Shell 34 P 1 bf 114 - 116 -0.090635670085 -1.263985693276 0.000000000000
|
|
0.7951000000D-01 0.1000000000D+01
|
|
Atom S2 Shell 35 D 1 bf 117 - 121 -0.090635670085 -1.263985693276 0.000000000000
|
|
0.2050000000D+00 0.1000000000D+01
|
|
Atom S2 Shell 36 D 1 bf 122 - 126 -0.090635670085 -1.263985693276 0.000000000000
|
|
0.5120000000D+00 0.1000000000D+01
|
|
Atom S2 Shell 37 D 1 bf 127 - 131 -0.090635670085 -1.263985693276 0.000000000000
|
|
0.1281000000D+01 0.1000000000D+01
|
|
Atom S2 Shell 38 D 1 bf 132 - 136 -0.090635670085 -1.263985693276 0.000000000000
|
|
0.3203000000D+01 0.1000000000D+01
|
|
Atom S2 Shell 39 F 1 bf 137 - 143 -0.090635670085 -1.263985693276 0.000000000000
|
|
0.2550000000D+00 0.1000000000D+01
|
|
Atom S2 Shell 40 F 1 bf 144 - 150 -0.090635670085 -1.263985693276 0.000000000000
|
|
0.5290000000D+00 0.1000000000D+01
|
|
Atom S2 Shell 41 F 1 bf 151 - 157 -0.090635670085 -1.263985693276 0.000000000000
|
|
0.1096000000D+01 0.1000000000D+01
|
|
Atom S2 Shell 42 G 1 bf 158 - 166 -0.090635670085 -1.263985693276 0.000000000000
|
|
0.4630000000D+00 0.1000000000D+01
|
|
Atom S2 Shell 43 G 1 bf 167 - 175 -0.090635670085 -1.263985693276 0.000000000000
|
|
0.1071000000D+01 0.1000000000D+01
|
|
Atom S2 Shell 44 H 1 bf 176 - 186 -0.090635670085 -1.263985693276 0.000000000000
|
|
0.8720000000D+00 0.1000000000D+01
|
|
Atom H3 Shell 45 S 4 bf 187 - 187 2.433116402610 -1.578496271018 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 46 S 1 bf 188 - 188 2.433116402610 -1.578496271018 0.000000000000
|
|
0.1283000000D+01 0.1000000000D+01
|
|
Atom H3 Shell 47 S 1 bf 189 - 189 2.433116402610 -1.578496271018 0.000000000000
|
|
0.4655000000D+00 0.1000000000D+01
|
|
Atom H3 Shell 48 S 1 bf 190 - 190 2.433116402610 -1.578496271018 0.000000000000
|
|
0.1811000000D+00 0.1000000000D+01
|
|
Atom H3 Shell 49 S 1 bf 191 - 191 2.433116402610 -1.578496271018 0.000000000000
|
|
0.7279000000D-01 0.1000000000D+01
|
|
Atom H3 Shell 50 P 1 bf 192 - 194 2.433116402610 -1.578496271018 0.000000000000
|
|
0.4516000000D+01 0.1000000000D+01
|
|
Atom H3 Shell 51 P 1 bf 195 - 197 2.433116402610 -1.578496271018 0.000000000000
|
|
0.1712000000D+01 0.1000000000D+01
|
|
Atom H3 Shell 52 P 1 bf 198 - 200 2.433116402610 -1.578496271018 0.000000000000
|
|
0.6490000000D+00 0.1000000000D+01
|
|
Atom H3 Shell 53 P 1 bf 201 - 203 2.433116402610 -1.578496271018 0.000000000000
|
|
0.2460000000D+00 0.1000000000D+01
|
|
Atom H3 Shell 54 D 1 bf 204 - 208 2.433116402610 -1.578496271018 0.000000000000
|
|
0.2950000000D+01 0.1000000000D+01
|
|
Atom H3 Shell 55 D 1 bf 209 - 213 2.433116402610 -1.578496271018 0.000000000000
|
|
0.1206000000D+01 0.1000000000D+01
|
|
Atom H3 Shell 56 D 1 bf 214 - 218 2.433116402610 -1.578496271018 0.000000000000
|
|
0.4930000000D+00 0.1000000000D+01
|
|
Atom H3 Shell 57 F 1 bf 219 - 225 2.433116402610 -1.578496271018 0.000000000000
|
|
0.2506000000D+01 0.1000000000D+01
|
|
Atom H3 Shell 58 F 1 bf 226 - 232 2.433116402610 -1.578496271018 0.000000000000
|
|
0.8750000000D+00 0.1000000000D+01
|
|
Atom H3 Shell 59 G 1 bf 233 - 241 2.433116402610 -1.578496271018 0.000000000000
|
|
0.2358000000D+01 0.1000000000D+01
|
|
Atom H4 Shell 60 S 4 bf 242 - 242 -2.072954395657 2.762352079608 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 61 S 1 bf 243 - 243 -2.072954395657 2.762352079608 0.000000000000
|
|
0.1283000000D+01 0.1000000000D+01
|
|
Atom H4 Shell 62 S 1 bf 244 - 244 -2.072954395657 2.762352079608 0.000000000000
|
|
0.4655000000D+00 0.1000000000D+01
|
|
Atom H4 Shell 63 S 1 bf 245 - 245 -2.072954395657 2.762352079608 0.000000000000
|
|
0.1811000000D+00 0.1000000000D+01
|
|
Atom H4 Shell 64 S 1 bf 246 - 246 -2.072954395657 2.762352079608 0.000000000000
|
|
0.7279000000D-01 0.1000000000D+01
|
|
Atom H4 Shell 65 P 1 bf 247 - 249 -2.072954395657 2.762352079608 0.000000000000
|
|
0.4516000000D+01 0.1000000000D+01
|
|
Atom H4 Shell 66 P 1 bf 250 - 252 -2.072954395657 2.762352079608 0.000000000000
|
|
0.1712000000D+01 0.1000000000D+01
|
|
Atom H4 Shell 67 P 1 bf 253 - 255 -2.072954395657 2.762352079608 0.000000000000
|
|
0.6490000000D+00 0.1000000000D+01
|
|
Atom H4 Shell 68 P 1 bf 256 - 258 -2.072954395657 2.762352079608 0.000000000000
|
|
0.2460000000D+00 0.1000000000D+01
|
|
Atom H4 Shell 69 D 1 bf 259 - 263 -2.072954395657 2.762352079608 0.000000000000
|
|
0.2950000000D+01 0.1000000000D+01
|
|
Atom H4 Shell 70 D 1 bf 264 - 268 -2.072954395657 2.762352079608 0.000000000000
|
|
0.1206000000D+01 0.1000000000D+01
|
|
Atom H4 Shell 71 D 1 bf 269 - 273 -2.072954395657 2.762352079608 0.000000000000
|
|
0.4930000000D+00 0.1000000000D+01
|
|
Atom H4 Shell 72 F 1 bf 274 - 280 -2.072954395657 2.762352079608 0.000000000000
|
|
0.2506000000D+01 0.1000000000D+01
|
|
Atom H4 Shell 73 F 1 bf 281 - 287 -2.072954395657 2.762352079608 0.000000000000
|
|
0.8750000000D+00 0.1000000000D+01
|
|
Atom H4 Shell 74 G 1 bf 288 - 296 -2.072954395657 2.762352079608 0.000000000000
|
|
0.2358000000D+01 0.1000000000D+01
|
|
Atom H5 Shell 75 S 4 bf 297 - 297 0.816911367463 2.940776280946 1.692778433249
|
|
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 76 S 1 bf 298 - 298 0.816911367463 2.940776280946 1.692778433249
|
|
0.1283000000D+01 0.1000000000D+01
|
|
Atom H5 Shell 77 S 1 bf 299 - 299 0.816911367463 2.940776280946 1.692778433249
|
|
0.4655000000D+00 0.1000000000D+01
|
|
Atom H5 Shell 78 S 1 bf 300 - 300 0.816911367463 2.940776280946 1.692778433249
|
|
0.1811000000D+00 0.1000000000D+01
|
|
Atom H5 Shell 79 S 1 bf 301 - 301 0.816911367463 2.940776280946 1.692778433249
|
|
0.7279000000D-01 0.1000000000D+01
|
|
Atom H5 Shell 80 P 1 bf 302 - 304 0.816911367463 2.940776280946 1.692778433249
|
|
0.4516000000D+01 0.1000000000D+01
|
|
Atom H5 Shell 81 P 1 bf 305 - 307 0.816911367463 2.940776280946 1.692778433249
|
|
0.1712000000D+01 0.1000000000D+01
|
|
Atom H5 Shell 82 P 1 bf 308 - 310 0.816911367463 2.940776280946 1.692778433249
|
|
0.6490000000D+00 0.1000000000D+01
|
|
Atom H5 Shell 83 P 1 bf 311 - 313 0.816911367463 2.940776280946 1.692778433249
|
|
0.2460000000D+00 0.1000000000D+01
|
|
Atom H5 Shell 84 D 1 bf 314 - 318 0.816911367463 2.940776280946 1.692778433249
|
|
0.2950000000D+01 0.1000000000D+01
|
|
Atom H5 Shell 85 D 1 bf 319 - 323 0.816911367463 2.940776280946 1.692778433249
|
|
0.1206000000D+01 0.1000000000D+01
|
|
Atom H5 Shell 86 D 1 bf 324 - 328 0.816911367463 2.940776280946 1.692778433249
|
|
0.4930000000D+00 0.1000000000D+01
|
|
Atom H5 Shell 87 F 1 bf 329 - 335 0.816911367463 2.940776280946 1.692778433249
|
|
0.2506000000D+01 0.1000000000D+01
|
|
Atom H5 Shell 88 F 1 bf 336 - 342 0.816911367463 2.940776280946 1.692778433249
|
|
0.8750000000D+00 0.1000000000D+01
|
|
Atom H5 Shell 89 G 1 bf 343 - 351 0.816911367463 2.940776280946 1.692778433249
|
|
0.2358000000D+01 0.1000000000D+01
|
|
Atom H6 Shell 90 S 4 bf 352 - 352 0.816911367463 2.940776280946 -1.692778433249
|
|
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 91 S 1 bf 353 - 353 0.816911367463 2.940776280946 -1.692778433249
|
|
0.1283000000D+01 0.1000000000D+01
|
|
Atom H6 Shell 92 S 1 bf 354 - 354 0.816911367463 2.940776280946 -1.692778433249
|
|
0.4655000000D+00 0.1000000000D+01
|
|
Atom H6 Shell 93 S 1 bf 355 - 355 0.816911367463 2.940776280946 -1.692778433249
|
|
0.1811000000D+00 0.1000000000D+01
|
|
Atom H6 Shell 94 S 1 bf 356 - 356 0.816911367463 2.940776280946 -1.692778433249
|
|
0.7279000000D-01 0.1000000000D+01
|
|
Atom H6 Shell 95 P 1 bf 357 - 359 0.816911367463 2.940776280946 -1.692778433249
|
|
0.4516000000D+01 0.1000000000D+01
|
|
Atom H6 Shell 96 P 1 bf 360 - 362 0.816911367463 2.940776280946 -1.692778433249
|
|
0.1712000000D+01 0.1000000000D+01
|
|
Atom H6 Shell 97 P 1 bf 363 - 365 0.816911367463 2.940776280946 -1.692778433249
|
|
0.6490000000D+00 0.1000000000D+01
|
|
Atom H6 Shell 98 P 1 bf 366 - 368 0.816911367463 2.940776280946 -1.692778433249
|
|
0.2460000000D+00 0.1000000000D+01
|
|
Atom H6 Shell 99 D 1 bf 369 - 373 0.816911367463 2.940776280946 -1.692778433249
|
|
0.2950000000D+01 0.1000000000D+01
|
|
Atom H6 Shell 100 D 1 bf 374 - 378 0.816911367463 2.940776280946 -1.692778433249
|
|
0.1206000000D+01 0.1000000000D+01
|
|
Atom H6 Shell 101 D 1 bf 379 - 383 0.816911367463 2.940776280946 -1.692778433249
|
|
0.4930000000D+00 0.1000000000D+01
|
|
Atom H6 Shell 102 F 1 bf 384 - 390 0.816911367463 2.940776280946 -1.692778433249
|
|
0.2506000000D+01 0.1000000000D+01
|
|
Atom H6 Shell 103 F 1 bf 391 - 397 0.816911367463 2.940776280946 -1.692778433249
|
|
0.8750000000D+00 0.1000000000D+01
|
|
Atom H6 Shell 104 G 1 bf 398 - 406 0.816911367463 2.940776280946 -1.692778433249
|
|
0.2358000000D+01 0.1000000000D+01
|
|
There are 325 symmetry adapted cartesian basis functions of A' symmetry.
|
|
There are 211 symmetry adapted cartesian basis functions of A" symmetry.
|
|
There are 240 symmetry adapted basis functions of A' symmetry.
|
|
There are 166 symmetry adapted basis functions of A" symmetry.
|
|
406 basis functions, 633 primitive gaussians, 536 cartesian basis functions
|
|
13 alpha electrons 13 beta electrons
|
|
nuclear repulsion energy 56.0459244567 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 20:17:02 2019, MaxMem= 13421772800 cpu: 1.4
|
|
(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= 406 RedAO= T EigKep= 2.35D-05 NBF= 240 166
|
|
NBsUse= 406 1.00D-06 EigRej= -1.00D+00 NBFU= 240 166
|
|
Leave Link 302 at Wed Apr 3 20:17:02 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 20:17:02 2019, MaxMem= 13421772800 cpu: 2.0
|
|
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l401.exe)
|
|
ExpMin= 7.28D-02 ExpMax= 5.48D+06 ExpMxC= 2.43D+03 IAcc=3 IRadAn= 5 AccDes= 0.00D+00
|
|
Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess.
|
|
HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14
|
|
ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000
|
|
FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0
|
|
NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T
|
|
wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0
|
|
NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0
|
|
Petite list used in FoFCou.
|
|
Harris En= -437.540166457601
|
|
JPrj=0 DoOrth=F DoCkMO=F.
|
|
Initial guess orbital symmetries:
|
|
Occupied (A') (A') (A') (A') (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 20:17:04 2019, MaxMem= 13421772800 cpu: 26.2
|
|
(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=5127351093.
|
|
IVT= 897554 IEndB= 897554 NGot= 13421772800 MDV= 10003183205
|
|
LenX= 10003183205 LenY= 10002895373
|
|
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= 82621 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0
|
|
Petite list used in FoFCou.
|
|
|
|
Cycle 1 Pass 1 IDiag 1:
|
|
E= -437.640809732351
|
|
DIIS: error= 2.83D-02 at cycle 1 NSaved= 1.
|
|
NSaved= 1 IEnMin= 1 EnMin= -437.640809732351 IErMin= 1 ErrMin= 2.83D-02
|
|
ErrMax= 2.83D-02 0.00D+00 EMaxC= 1.00D-01 BMatC= 3.05D-01 BMatP= 3.05D-01
|
|
IDIUse=3 WtCom= 7.17D-01 WtEn= 2.83D-01
|
|
Coeff-Com: 0.100D+01
|
|
Coeff-En: 0.100D+01
|
|
Coeff: 0.100D+01
|
|
Gap= 0.556 Goal= None Shift= 0.000
|
|
GapD= 0.556 DampG=2.000 DampE=0.500 DampFc=1.0000 IDamp=-1.
|
|
RMSDP=7.18D-04 MaxDP=5.33D-02 OVMax= 1.32D-01
|
|
|
|
Cycle 2 Pass 1 IDiag 1:
|
|
E= -437.743100249752 Delta-E= -0.102290517401 Rises=F Damp=F
|
|
DIIS: error= 1.24D-02 at cycle 2 NSaved= 2.
|
|
NSaved= 2 IEnMin= 2 EnMin= -437.743100249752 IErMin= 2 ErrMin= 1.24D-02
|
|
ErrMax= 1.24D-02 0.00D+00 EMaxC= 1.00D-01 BMatC= 2.54D-02 BMatP= 3.05D-01
|
|
IDIUse=3 WtCom= 8.76D-01 WtEn= 1.24D-01
|
|
Coeff-Com: 0.132D+00 0.868D+00
|
|
Coeff-En: 0.000D+00 0.100D+01
|
|
Coeff: 0.115D+00 0.885D+00
|
|
Gap= 0.455 Goal= None Shift= 0.000
|
|
RMSDP=2.08D-04 MaxDP=1.93D-02 DE=-1.02D-01 OVMax= 5.40D-02
|
|
|
|
Cycle 3 Pass 1 IDiag 1:
|
|
E= -437.762973109106 Delta-E= -0.019872859353 Rises=F Damp=F
|
|
DIIS: error= 4.26D-03 at cycle 3 NSaved= 3.
|
|
NSaved= 3 IEnMin= 3 EnMin= -437.762973109106 IErMin= 3 ErrMin= 4.26D-03
|
|
ErrMax= 4.26D-03 0.00D+00 EMaxC= 1.00D-01 BMatC= 3.09D-03 BMatP= 2.54D-02
|
|
IDIUse=3 WtCom= 9.57D-01 WtEn= 4.26D-02
|
|
Coeff-Com: -0.235D-01 0.229D+00 0.794D+00
|
|
Coeff-En: 0.000D+00 0.000D+00 0.100D+01
|
|
Coeff: -0.225D-01 0.219D+00 0.803D+00
|
|
Gap= 0.446 Goal= None Shift= 0.000
|
|
RMSDP=6.45D-05 MaxDP=4.39D-03 DE=-1.99D-02 OVMax= 1.69D-02
|
|
|
|
Cycle 4 Pass 1 IDiag 1:
|
|
E= -437.765888603239 Delta-E= -0.002915494134 Rises=F Damp=F
|
|
DIIS: error= 5.16D-04 at cycle 4 NSaved= 4.
|
|
NSaved= 4 IEnMin= 4 EnMin= -437.765888603239 IErMin= 4 ErrMin= 5.16D-04
|
|
ErrMax= 5.16D-04 0.00D+00 EMaxC= 1.00D-01 BMatC= 3.00D-05 BMatP= 3.09D-03
|
|
IDIUse=3 WtCom= 9.95D-01 WtEn= 5.16D-03
|
|
Coeff-Com: -0.201D-02-0.104D-01 0.302D-01 0.982D+00
|
|
Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.100D+01
|
|
Coeff: -0.200D-02-0.103D-01 0.301D-01 0.982D+00
|
|
Gap= 0.444 Goal= None Shift= 0.000
|
|
RMSDP=1.39D-05 MaxDP=9.86D-04 DE=-2.92D-03 OVMax= 2.47D-03
|
|
|
|
Cycle 5 Pass 1 IDiag 1:
|
|
E= -437.765937479235 Delta-E= -0.000048875996 Rises=F Damp=F
|
|
DIIS: error= 1.40D-04 at cycle 5 NSaved= 5.
|
|
NSaved= 5 IEnMin= 5 EnMin= -437.765937479235 IErMin= 5 ErrMin= 1.40D-04
|
|
ErrMax= 1.40D-04 0.00D+00 EMaxC= 1.00D-01 BMatC= 2.74D-06 BMatP= 3.00D-05
|
|
IDIUse=3 WtCom= 9.99D-01 WtEn= 1.40D-03
|
|
Coeff-Com: 0.178D-02-0.153D-01-0.552D-01-0.144D+00 0.121D+01
|
|
Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.100D+01
|
|
Coeff: 0.177D-02-0.153D-01-0.552D-01-0.144D+00 0.121D+01
|
|
Gap= 0.444 Goal= None Shift= 0.000
|
|
RMSDP=7.51D-06 MaxDP=4.66D-04 DE=-4.89D-05 OVMax= 1.17D-03
|
|
|
|
Cycle 6 Pass 1 IDiag 1:
|
|
E= -437.765944914981 Delta-E= -0.000007435746 Rises=F Damp=F
|
|
DIIS: error= 2.21D-05 at cycle 6 NSaved= 6.
|
|
NSaved= 6 IEnMin= 6 EnMin= -437.765944914981 IErMin= 6 ErrMin= 2.21D-05
|
|
ErrMax= 2.21D-05 0.00D+00 EMaxC= 1.00D-01 BMatC= 1.02D-07 BMatP= 2.74D-06
|
|
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
|
|
Coeff-Com: 0.152D-03-0.352D-03-0.320D-02-0.319D-01-0.379D-01 0.107D+01
|
|
Coeff: 0.152D-03-0.352D-03-0.320D-02-0.319D-01-0.379D-01 0.107D+01
|
|
Gap= 0.444 Goal= None Shift= 0.000
|
|
RMSDP=1.94D-06 MaxDP=1.17D-04 DE=-7.44D-06 OVMax= 2.61D-04
|
|
|
|
Cycle 7 Pass 1 IDiag 1:
|
|
E= -437.765945237916 Delta-E= -0.000000322935 Rises=F Damp=F
|
|
DIIS: error= 6.37D-06 at cycle 7 NSaved= 7.
|
|
NSaved= 7 IEnMin= 7 EnMin= -437.765945237916 IErMin= 7 ErrMin= 6.37D-06
|
|
ErrMax= 6.37D-06 0.00D+00 EMaxC= 1.00D-01 BMatC= 7.96D-09 BMatP= 1.02D-07
|
|
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
|
|
Coeff-Com: -0.115D-03 0.859D-03 0.353D-02 0.140D-01-0.568D-01-0.233D+00
|
|
Coeff-Com: 0.127D+01
|
|
Coeff: -0.115D-03 0.859D-03 0.353D-02 0.140D-01-0.568D-01-0.233D+00
|
|
Coeff: 0.127D+01
|
|
Gap= 0.444 Goal= None Shift= 0.000
|
|
RMSDP=7.39D-07 MaxDP=4.97D-05 DE=-3.23D-07 OVMax= 9.34D-05
|
|
|
|
Cycle 8 Pass 1 IDiag 1:
|
|
E= -437.765945267251 Delta-E= -0.000000029335 Rises=F Damp=F
|
|
DIIS: error= 1.82D-06 at cycle 8 NSaved= 8.
|
|
NSaved= 8 IEnMin= 8 EnMin= -437.765945267251 IErMin= 8 ErrMin= 1.82D-06
|
|
ErrMax= 1.82D-06 0.00D+00 EMaxC= 1.00D-01 BMatC= 5.23D-10 BMatP= 7.96D-09
|
|
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
|
|
Coeff-Com: 0.105D-04-0.134D-03-0.461D-03-0.976D-03 0.159D-01-0.314D-01
|
|
Coeff-Com: -0.234D+00 0.125D+01
|
|
Coeff: 0.105D-04-0.134D-03-0.461D-03-0.976D-03 0.159D-01-0.314D-01
|
|
Coeff: -0.234D+00 0.125D+01
|
|
Gap= 0.444 Goal= None Shift= 0.000
|
|
RMSDP=1.86D-07 MaxDP=1.26D-05 DE=-2.93D-08 OVMax= 2.76D-05
|
|
|
|
Cycle 9 Pass 1 IDiag 1:
|
|
E= -437.765945269253 Delta-E= -0.000000002002 Rises=F Damp=F
|
|
DIIS: error= 3.72D-07 at cycle 9 NSaved= 9.
|
|
NSaved= 9 IEnMin= 9 EnMin= -437.765945269253 IErMin= 9 ErrMin= 3.72D-07
|
|
ErrMax= 3.72D-07 0.00D+00 EMaxC= 1.00D-01 BMatC= 3.90D-11 BMatP= 5.23D-10
|
|
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
|
|
Coeff-Com: 0.550D-05-0.353D-04-0.156D-03-0.127D-02 0.283D-02 0.212D-01
|
|
Coeff-Com: -0.760D-01-0.626D-01 0.112D+01
|
|
Coeff: 0.550D-05-0.353D-04-0.156D-03-0.127D-02 0.283D-02 0.212D-01
|
|
Coeff: -0.760D-01-0.626D-01 0.112D+01
|
|
Gap= 0.444 Goal= None Shift= 0.000
|
|
RMSDP=3.43D-08 MaxDP=2.27D-06 DE=-2.00D-09 OVMax= 7.73D-06
|
|
|
|
Cycle 10 Pass 1 IDiag 1:
|
|
E= -437.765945269373 Delta-E= -0.000000000120 Rises=F Damp=F
|
|
DIIS: error= 1.32D-07 at cycle 10 NSaved= 10.
|
|
NSaved=10 IEnMin=10 EnMin= -437.765945269373 IErMin=10 ErrMin= 1.32D-07
|
|
ErrMax= 1.32D-07 0.00D+00 EMaxC= 1.00D-01 BMatC= 3.15D-12 BMatP= 3.90D-11
|
|
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
|
|
Coeff-Com: -0.148D-05 0.165D-04 0.685D-04 0.116D-03-0.137D-02-0.358D-03
|
|
Coeff-Com: 0.291D-01-0.106D+00-0.142D+00 0.122D+01
|
|
Coeff: -0.148D-05 0.165D-04 0.685D-04 0.116D-03-0.137D-02-0.358D-03
|
|
Coeff: 0.291D-01-0.106D+00-0.142D+00 0.122D+01
|
|
Gap= 0.444 Goal= None Shift= 0.000
|
|
RMSDP=1.07D-08 MaxDP=5.68D-07 DE=-1.20D-10 OVMax= 2.51D-06
|
|
|
|
Cycle 11 Pass 1 IDiag 1:
|
|
E= -437.765945269389 Delta-E= -0.000000000016 Rises=F Damp=F
|
|
DIIS: error= 2.73D-08 at cycle 11 NSaved= 11.
|
|
NSaved=11 IEnMin=11 EnMin= -437.765945269389 IErMin=11 ErrMin= 2.73D-08
|
|
ErrMax= 2.73D-08 0.00D+00 EMaxC= 1.00D-01 BMatC= 8.86D-14 BMatP= 3.15D-12
|
|
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
|
|
Coeff-Com: 0.197D-06-0.317D-05-0.120D-04 0.602D-05 0.279D-03-0.614D-03
|
|
Coeff-Com: -0.479D-02 0.276D-01 0.112D-01-0.339D+00 0.131D+01
|
|
Coeff: 0.197D-06-0.317D-05-0.120D-04 0.602D-05 0.279D-03-0.614D-03
|
|
Coeff: -0.479D-02 0.276D-01 0.112D-01-0.339D+00 0.131D+01
|
|
Gap= 0.444 Goal= None Shift= 0.000
|
|
RMSDP=1.86D-09 MaxDP=9.96D-08 DE=-1.60D-11 OVMax= 3.52D-07
|
|
|
|
SCF Done: E(ROHF) = -437.765945269 A.U. after 11 cycles
|
|
NFock= 11 Conv=0.19D-08 -V/T= 2.0002
|
|
<Sx>= 0.0000 <Sy>= 0.0000 <Sz>= 0.0000 <S**2>= 0.0000 S= 0.0000
|
|
<L.S>= 0.000000000000E+00
|
|
KE= 4.376628294047D+02 PE=-1.152273399417D+03 EE= 2.207987002866D+02
|
|
Annihilation of the first spin contaminant:
|
|
S**2 before annihilation 0.0000, after 0.0000
|
|
Leave Link 502 at Wed Apr 3 20:18:22 2019, MaxMem= 13421772800 cpu: 1873.0
|
|
(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= 5.48D+06 ExpMxC= 2.43D+03 IAcc=3 IRadAn= 5 AccDes= 0.00D+00
|
|
HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV=-2 UseB2=F ITyADJ=14
|
|
ICtDFT= 12500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000
|
|
Largest valence mixing into a core orbital is 4.87D-04
|
|
Largest core mixing into a valence orbital is 9.51D-05
|
|
Largest valence mixing into a core orbital is 4.87D-04
|
|
Largest core mixing into a valence orbital is 9.51D-05
|
|
Range of M.O.s used for correlation: 7 406
|
|
NBasis= 406 NAE= 13 NBE= 13 NFC= 6 NFV= 0
|
|
NROrb= 400 NOA= 7 NOB= 7 NVA= 393 NVB= 393
|
|
|
|
**** Warning!!: The largest alpha MO coefficient is 0.41254808D+02
|
|
|
|
|
|
**** Warning!!: The largest beta MO coefficient is 0.41254808D+02
|
|
|
|
Singles contribution to E2= -0.1001949938D-13
|
|
Leave Link 801 at Wed Apr 3 20:18:44 2019, MaxMem= 13421772800 cpu: 520.5
|
|
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l804.exe)
|
|
Open-shell transformation, MDV= 13421772800 ITran=4 ISComp=2.
|
|
Semi-Direct transformation.
|
|
ModeAB= 4 MOrb= 7 LenV= 13416951901
|
|
LASXX= 110800964 LTotXX= 110800964 LenRXX= 222515789
|
|
LTotAB= 111714825 MaxLAS= 312460400 LenRXY= 0
|
|
NonZer= 333316753 LenScr= 500301824 LnRSAI= 312460400
|
|
LnScr1= 469303296 LExtra= 0 Total= 1504581309
|
|
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= 13416951901
|
|
LASXX= 110800964 LTotXX= 110800964 LenRXX= 218632528
|
|
LTotAB= 107831564 MaxLAS= 312460400 LenRXY= 0
|
|
NonZer= 329433492 LenScr= 494796800 LnRSAI= 312460400
|
|
LnScr1= 469303296 LExtra= 0 Total= 1495193024
|
|
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 = 0.1588279282D-01 E2= -0.4077089627D-01
|
|
alpha-beta T2 = 0.1058511126D+00 E2= -0.3193449072D+00
|
|
beta-beta T2 = 0.1588279282D-01 E2= -0.4077089627D-01
|
|
ANorm= 0.1066591158D+01
|
|
E2 = -0.4008866998D+00 EUMP2 = -0.43816683196916D+03
|
|
(S**2,0)= 0.00000D+00 (S**2,1)= 0.00000D+00
|
|
E(PUHF)= -0.43776594527D+03 E(PMP2)= -0.43816683197D+03
|
|
Leave Link 804 at Wed Apr 3 20:21:27 2019, MaxMem= 13421772800 cpu: 3909.6
|
|
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l913.exe)
|
|
CIDS: MDV= 13421772800.
|
|
Frozen-core window: NFC= 6 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=5126455737.
|
|
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= 82621 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)= 0.37661572D-01
|
|
Maximum subspace dimension= 5
|
|
Norm of the A-vectors is 1.2236379D-01 conv= 1.00D-05.
|
|
RLE energy= -0.3896397766
|
|
E3= -0.26090007D-01 EROMP3= -0.43819292198D+03
|
|
E4(SDQ)= -0.35826325D-03 ROMP4(SDQ)= -0.43819328024D+03
|
|
VARIATIONAL ENERGIES WITH THE FIRST-ORDER WAVEFUNCTION:
|
|
DE(Corr)= -0.38931513 E(Corr)= -438.15526040
|
|
NORM(A)= 0.10620850D+01
|
|
Iteration Nr. 2
|
|
**********************
|
|
DD1Dir will call FoFMem 1 times, MxPair= 140
|
|
NAB= 49 NAA= 21 NBB= 21.
|
|
Norm of the A-vectors is 4.6333578D-01 conv= 1.00D-05.
|
|
RLE energy= -0.3959610469
|
|
DE(Corr)= -0.41493745 E(CORR)= -438.18088272 Delta=-2.56D-02
|
|
NORM(A)= 0.10647281D+01
|
|
Iteration Nr. 3
|
|
**********************
|
|
DD1Dir will call FoFMem 1 times, MxPair= 140
|
|
NAB= 49 NAA= 21 NBB= 21.
|
|
Norm of the A-vectors is 3.7620574D-01 conv= 1.00D-05.
|
|
RLE energy= -0.4154306028
|
|
DE(Corr)= -0.41728635 E(CORR)= -438.18323162 Delta=-2.35D-03
|
|
NORM(A)= 0.10740804D+01
|
|
Iteration Nr. 4
|
|
**********************
|
|
DD1Dir will call FoFMem 1 times, MxPair= 140
|
|
NAB= 49 NAA= 21 NBB= 21.
|
|
Norm of the A-vectors is 1.5519329D-01 conv= 1.00D-05.
|
|
RLE energy= -0.4268042392
|
|
DE(Corr)= -0.42290851 E(CORR)= -438.18885378 Delta=-5.62D-03
|
|
NORM(A)= 0.10811571D+01
|
|
Iteration Nr. 5
|
|
**********************
|
|
DD1Dir will call FoFMem 1 times, MxPair= 140
|
|
NAB= 49 NAA= 21 NBB= 21.
|
|
Norm of the A-vectors is 1.0796320D-02 conv= 1.00D-05.
|
|
RLE energy= -0.4270030102
|
|
DE(Corr)= -0.42691447 E(CORR)= -438.19285974 Delta=-4.01D-03
|
|
NORM(A)= 0.10814017D+01
|
|
Iteration Nr. 6
|
|
**********************
|
|
DD1Dir will call FoFMem 1 times, MxPair= 140
|
|
NAB= 49 NAA= 21 NBB= 21.
|
|
Norm of the A-vectors is 2.8377818D-03 conv= 1.00D-05.
|
|
RLE energy= -0.4269888942
|
|
DE(Corr)= -0.42698776 E(CORR)= -438.19293303 Delta=-7.33D-05
|
|
NORM(A)= 0.10814169D+01
|
|
Iteration Nr. 7
|
|
**********************
|
|
DD1Dir will call FoFMem 1 times, MxPair= 140
|
|
NAB= 49 NAA= 21 NBB= 21.
|
|
Norm of the A-vectors is 8.2046181D-04 conv= 1.00D-05.
|
|
RLE energy= -0.4269839734
|
|
DE(Corr)= -0.42698448 E(CORR)= -438.19292974 Delta= 3.28D-06
|
|
NORM(A)= 0.10814199D+01
|
|
Iteration Nr. 8
|
|
**********************
|
|
DD1Dir will call FoFMem 1 times, MxPair= 140
|
|
NAB= 49 NAA= 21 NBB= 21.
|
|
Norm of the A-vectors is 3.1569351D-04 conv= 1.00D-05.
|
|
RLE energy= -0.4269849537
|
|
DE(Corr)= -0.42698629 E(CORR)= -438.19293156 Delta=-1.82D-06
|
|
NORM(A)= 0.10814194D+01
|
|
Iteration Nr. 9
|
|
**********************
|
|
DD1Dir will call FoFMem 1 times, MxPair= 140
|
|
NAB= 49 NAA= 21 NBB= 21.
|
|
Norm of the A-vectors is 1.0189588D-04 conv= 1.00D-05.
|
|
RLE energy= -0.4269842983
|
|
DE(Corr)= -0.42698450 E(CORR)= -438.19292977 Delta= 1.79D-06
|
|
NORM(A)= 0.10814193D+01
|
|
Iteration Nr. 10
|
|
**********************
|
|
DD1Dir will call FoFMem 1 times, MxPair= 140
|
|
NAB= 49 NAA= 21 NBB= 21.
|
|
Norm of the A-vectors is 3.6600317D-05 conv= 1.00D-05.
|
|
RLE energy= -0.4269846042
|
|
DE(Corr)= -0.42698467 E(CORR)= -438.19292994 Delta=-1.68D-07
|
|
NORM(A)= 0.10814194D+01
|
|
Iteration Nr. 11
|
|
**********************
|
|
DD1Dir will call FoFMem 1 times, MxPair= 140
|
|
NAB= 49 NAA= 21 NBB= 21.
|
|
Norm of the A-vectors is 1.4332886D-05 conv= 1.00D-05.
|
|
RLE energy= -0.4269847222
|
|
DE(Corr)= -0.42698468 E(CORR)= -438.19292995 Delta=-8.00D-09
|
|
NORM(A)= 0.10814196D+01
|
|
Iteration Nr. 12
|
|
**********************
|
|
DD1Dir will call FoFMem 1 times, MxPair= 140
|
|
NAB= 49 NAA= 21 NBB= 21.
|
|
Norm of the A-vectors is 5.7448070D-06 conv= 1.00D-05.
|
|
RLE energy= -0.4269847694
|
|
DE(Corr)= -0.42698475 E(CORR)= -438.19293002 Delta=-7.65D-08
|
|
NORM(A)= 0.10814197D+01
|
|
CI/CC converged in 12 iterations to DelEn=-7.65D-08 Conv= 1.00D-07 ErrA1= 5.74D-06 Conv= 1.00D-05
|
|
Largest amplitude= 3.01D-02
|
|
Time for triples= 344781.81 seconds.
|
|
T4(CCSD)= -0.18864857D-01
|
|
T5(CCSD)= 0.36528737D-03
|
|
CCSD(T)= -0.43821142959D+03
|
|
Discarding MO integrals.
|
|
Leave Link 913 at Thu Apr 4 00:58:26 2019, MaxMem= 13421772800 cpu: 387104.7
|
|
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l601.exe)
|
|
Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=1.
|
|
|
|
**********************************************************************
|
|
|
|
Population analysis using the SCF density.
|
|
|
|
**********************************************************************
|
|
|
|
Orbital symmetries:
|
|
Occupied (A') (A') (A') (A') (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 -- -91.95203 -11.25865 -8.95341 -6.63493 -6.63411
|
|
Alpha occ. eigenvalues -- -6.63337 -1.03315 -0.86610 -0.60633 -0.59127
|
|
Alpha occ. eigenvalues -- -0.52685 -0.45887 -0.35753
|
|
Alpha virt. eigenvalues -- 0.08679 0.10975 0.13694 0.13702 0.17007
|
|
Alpha virt. eigenvalues -- 0.20007 0.21330 0.22014 0.24074 0.27634
|
|
Alpha virt. eigenvalues -- 0.30343 0.35386 0.37612 0.39463 0.40447
|
|
Alpha virt. eigenvalues -- 0.41604 0.43009 0.43127 0.45622 0.50774
|
|
Alpha virt. eigenvalues -- 0.57480 0.59561 0.60400 0.62885 0.63882
|
|
Alpha virt. eigenvalues -- 0.66111 0.68317 0.70318 0.73571 0.74015
|
|
Alpha virt. eigenvalues -- 0.76086 0.77154 0.80542 0.88855 0.88996
|
|
Alpha virt. eigenvalues -- 0.91406 0.95094 0.95271 0.98443 1.01408
|
|
Alpha virt. eigenvalues -- 1.02465 1.03002 1.05601 1.06040 1.08058
|
|
Alpha virt. eigenvalues -- 1.10806 1.14975 1.15501 1.18125 1.22727
|
|
Alpha virt. eigenvalues -- 1.24122 1.24523 1.30998 1.33235 1.34021
|
|
Alpha virt. eigenvalues -- 1.36557 1.37589 1.42143 1.46190 1.51698
|
|
Alpha virt. eigenvalues -- 1.52169 1.56580 1.57323 1.59309 1.63141
|
|
Alpha virt. eigenvalues -- 1.64855 1.68902 1.69871 1.76113 1.76243
|
|
Alpha virt. eigenvalues -- 1.81887 1.84798 1.87694 1.88454 1.90499
|
|
Alpha virt. eigenvalues -- 1.92505 1.93534 1.98399 1.98713 2.01411
|
|
Alpha virt. eigenvalues -- 2.11145 2.11227 2.11623 2.14380 2.14771
|
|
Alpha virt. eigenvalues -- 2.21381 2.23879 2.26203 2.28256 2.31396
|
|
Alpha virt. eigenvalues -- 2.33777 2.36147 2.37080 2.40098 2.40872
|
|
Alpha virt. eigenvalues -- 2.47094 2.47463 2.49675 2.52305 2.53301
|
|
Alpha virt. eigenvalues -- 2.53534 2.57163 2.59723 2.63441 2.67885
|
|
Alpha virt. eigenvalues -- 2.74864 2.76619 2.77813 2.81811 2.83053
|
|
Alpha virt. eigenvalues -- 2.84770 2.85689 2.88457 2.94932 2.96838
|
|
Alpha virt. eigenvalues -- 2.98638 3.04672 3.07834 3.14362 3.21675
|
|
Alpha virt. eigenvalues -- 3.26846 3.29381 3.35056 3.39931 3.50469
|
|
Alpha virt. eigenvalues -- 3.55045 3.59398 3.69784 3.73683 3.74467
|
|
Alpha virt. eigenvalues -- 3.76610 3.76671 3.80025 3.83472 3.85392
|
|
Alpha virt. eigenvalues -- 3.87259 3.94926 3.96789 3.97295 3.98454
|
|
Alpha virt. eigenvalues -- 4.07164 4.11896 4.13834 4.14578 4.17065
|
|
Alpha virt. eigenvalues -- 4.17275 4.17508 4.25981 4.32182 4.34595
|
|
Alpha virt. eigenvalues -- 4.37258 4.42453 4.47147 4.49571 4.51819
|
|
Alpha virt. eigenvalues -- 4.61677 4.65457 4.66777 4.71278 4.71304
|
|
Alpha virt. eigenvalues -- 4.74671 4.75649 4.78530 4.79986 4.80672
|
|
Alpha virt. eigenvalues -- 4.85574 4.88373 4.90125 4.94940 4.97176
|
|
Alpha virt. eigenvalues -- 4.99813 5.03668 5.07973 5.10326 5.11436
|
|
Alpha virt. eigenvalues -- 5.13774 5.17545 5.18685 5.21713 5.22278
|
|
Alpha virt. eigenvalues -- 5.26670 5.28668 5.29140 5.35043 5.36005
|
|
Alpha virt. eigenvalues -- 5.43152 5.44849 5.46237 5.49195 5.52406
|
|
Alpha virt. eigenvalues -- 5.52426 5.56225 5.57106 5.61937 5.64667
|
|
Alpha virt. eigenvalues -- 5.69680 5.72764 5.74289 5.75799 5.77972
|
|
Alpha virt. eigenvalues -- 5.82834 5.83547 5.85972 5.90810 5.95537
|
|
Alpha virt. eigenvalues -- 5.98566 6.05414 6.06128 6.09067 6.10199
|
|
Alpha virt. eigenvalues -- 6.13924 6.14180 6.18598 6.20232 6.22171
|
|
Alpha virt. eigenvalues -- 6.29578 6.37768 6.38151 6.42290 6.42343
|
|
Alpha virt. eigenvalues -- 6.49309 6.57781 6.58942 6.63542 6.75594
|
|
Alpha virt. eigenvalues -- 6.83633 6.85457 6.88738 6.99515 7.06431
|
|
Alpha virt. eigenvalues -- 7.09926 7.15980 7.19308 7.20601 7.46817
|
|
Alpha virt. eigenvalues -- 7.47983 7.59188 7.63280 7.64785 7.65112
|
|
Alpha virt. eigenvalues -- 7.66316 7.68213 7.82551 8.15022 8.17421
|
|
Alpha virt. eigenvalues -- 8.18222 9.01536 9.10695 9.10968 9.23689
|
|
Alpha virt. eigenvalues -- 9.30038 9.41318 9.52730 9.54559 9.59982
|
|
Alpha virt. eigenvalues -- 9.60834 9.69355 9.75157 9.86139 9.88702
|
|
Alpha virt. eigenvalues -- 9.99034 10.03342 10.06072 10.18494 10.35247
|
|
Alpha virt. eigenvalues -- 10.38417 10.41506 10.46430 10.49558 10.51881
|
|
Alpha virt. eigenvalues -- 10.77305 10.79157 10.93055 11.06925 11.12277
|
|
Alpha virt. eigenvalues -- 11.17531 11.49330 11.49985 11.54563 11.57304
|
|
Alpha virt. eigenvalues -- 11.60372 11.80398 11.87976 12.56911 12.57632
|
|
Alpha virt. eigenvalues -- 12.61406 12.62927 12.65285 12.67813 12.67989
|
|
Alpha virt. eigenvalues -- 12.72878 12.73546 12.74827 12.75445 12.76334
|
|
Alpha virt. eigenvalues -- 12.77778 12.80132 12.81806 12.89839 12.91241
|
|
Alpha virt. eigenvalues -- 12.93428 12.93653 12.95494 12.96737 12.99348
|
|
Alpha virt. eigenvalues -- 13.00170 13.05757 13.09812 13.12101 13.14460
|
|
Alpha virt. eigenvalues -- 13.19906 13.31042 13.35541 13.36683 13.42170
|
|
Alpha virt. eigenvalues -- 13.43473 13.45302 13.55963 13.56094 13.59440
|
|
Alpha virt. eigenvalues -- 13.67460 13.74052 13.77028 13.87091 13.91542
|
|
Alpha virt. eigenvalues -- 13.92793 13.94327 13.99955 14.05747 14.05778
|
|
Alpha virt. eigenvalues -- 14.09450 14.11759 14.11861 14.15275 14.20926
|
|
Alpha virt. eigenvalues -- 14.24395 14.29989 14.30981 14.33061 14.34939
|
|
Alpha virt. eigenvalues -- 14.40657 14.41680 14.46011 14.50446 14.57443
|
|
Alpha virt. eigenvalues -- 14.58469 14.72598 14.76121 14.85267 14.87820
|
|
Alpha virt. eigenvalues -- 14.87986 14.91157 15.05020 15.14512 15.28211
|
|
Alpha virt. eigenvalues -- 15.46767 15.47266 15.66803 15.80867 15.84733
|
|
Alpha virt. eigenvalues -- 15.86862 16.04604 16.04900 16.36061 16.50154
|
|
Alpha virt. eigenvalues -- 16.87895 16.88313 17.27136 17.44983 17.47640
|
|
Alpha virt. eigenvalues -- 17.55315 17.60223 17.80019 17.93548 17.97244
|
|
Alpha virt. eigenvalues -- 18.23026 18.31713 18.35744 18.42972 18.49408
|
|
Alpha virt. eigenvalues -- 18.61724 18.77467 18.91318 18.95409 19.08546
|
|
Alpha virt. eigenvalues -- 20.77519 20.84104 20.87597 25.02295 26.88805
|
|
Alpha virt. eigenvalues -- 27.83560 42.19852 69.42200
|
|
Molecular Orbital Coefficients:
|
|
1 2 3 4 5
|
|
O O O O O
|
|
Eigenvalues -- -91.95203 -11.25865 -8.95341 -6.63493 -6.63411
|
|
1 1 C 1S 0.00000 0.56559 0.00006 -0.00006 0.00008
|
|
2 2S 0.00000 -0.42008 -0.00010 0.00005 -0.00009
|
|
3 3S 0.00002 0.07906 -0.00010 -0.00012 0.00002
|
|
4 4S -0.00012 0.00280 0.00018 0.00039 -0.00016
|
|
5 5S 0.00010 0.00196 0.00049 -0.00011 0.00139
|
|
6 6S 0.00003 0.00053 0.00014 -0.00019 0.00062
|
|
7 7PX 0.00000 -0.00001 0.00000 -0.00001 0.00000
|
|
8 7PY 0.00000 -0.00065 0.00005 -0.00003 0.00005
|
|
9 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
10 8PX 0.00000 0.00000 0.00000 0.00007 -0.00001
|
|
11 8PY 0.00002 0.00043 -0.00003 -0.00008 -0.00004
|
|
12 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
13 9PX 0.00001 -0.00003 -0.00016 -0.00032 -0.00041
|
|
14 9PY -0.00007 -0.00060 0.00045 0.00014 0.00069
|
|
15 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
16 10PX -0.00002 0.00000 0.00006 -0.00005 0.00004
|
|
17 10PY -0.00026 -0.00045 0.00036 0.00218 -0.00042
|
|
18 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
19 11PX 0.00000 0.00001 -0.00001 -0.00014 -0.00010
|
|
20 11PY -0.00002 -0.00005 0.00002 0.00001 -0.00008
|
|
21 11PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
22 12D 0 0.00000 -0.00005 0.00001 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 -0.00007 0.00001 0.00000 0.00000
|
|
26 12D-2 0.00000 -0.00001 0.00000 0.00001 -0.00001
|
|
27 13D 0 0.00000 0.00013 -0.00002 -0.00004 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 0.00021 -0.00002 -0.00002 0.00001
|
|
31 13D-2 0.00000 0.00003 0.00000 -0.00006 0.00003
|
|
32 14D 0 -0.00003 -0.00006 0.00011 0.00024 0.00034
|
|
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 -0.00005 -0.00009 0.00017 0.00006 0.00052
|
|
36 14D-2 0.00001 -0.00002 -0.00009 0.00039 -0.00020
|
|
37 15D 0 -0.00006 -0.00004 0.00019 0.00059 0.00020
|
|
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 -0.00005 -0.00010 0.00009 0.00026 -0.00003
|
|
41 15D-2 0.00002 -0.00003 -0.00018 0.00023 -0.00035
|
|
42 16F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
43 16F+1 0.00000 0.00008 0.00000 0.00000 -0.00001
|
|
44 16F-1 0.00000 0.00004 0.00001 0.00001 0.00000
|
|
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 0.00000 -0.00001 0.00001
|
|
48 16F-3 0.00000 0.00004 0.00001 0.00002 0.00000
|
|
49 17F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
50 17F+1 0.00000 0.00018 0.00001 0.00004 0.00007
|
|
51 17F-1 0.00000 0.00013 -0.00001 0.00004 -0.00005
|
|
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 -0.00007 -0.00001 -0.00001 -0.00001
|
|
55 17F-3 0.00001 0.00014 -0.00001 -0.00003 -0.00006
|
|
56 18F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
57 18F+1 0.00001 0.00007 0.00004 0.00005 0.00011
|
|
58 18F-1 0.00001 0.00007 -0.00005 0.00034 -0.00003
|
|
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 0.00000 -0.00003 -0.00003 0.00022 -0.00017
|
|
62 18F-3 0.00002 0.00010 -0.00010 -0.00019 -0.00014
|
|
63 19G 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
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 0.00000 0.00000 0.00000 0.00000 -0.00001
|
|
67 19G-2 0.00000 0.00005 0.00001 0.00000 0.00000
|
|
68 19G+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
69 19G-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
70 19G+4 0.00000 0.00001 0.00000 0.00002 -0.00001
|
|
71 19G-4 0.00000 -0.00002 0.00000 0.00000 -0.00001
|
|
72 20G 0 0.00000 0.00005 -0.00004 0.00006 0.00001
|
|
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 0.00000 0.00006 -0.00005 -0.00001 -0.00002
|
|
76 20G-2 0.00000 0.00001 0.00002 -0.00004 0.00002
|
|
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 0.00000 0.00008 -0.00007 0.00002 -0.00003
|
|
80 20G-4 0.00000 0.00000 -0.00002 -0.00004 0.00003
|
|
81 21H 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
82 21H+1 0.00000 0.00001 0.00000 0.00000 0.00001
|
|
83 21H-1 0.00000 0.00000 0.00001 0.00000 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 0.00000 0.00001 -0.00001 -0.00001 0.00001
|
|
87 21H-3 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
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 0.00000 -0.00002 0.00001
|
|
91 21H-5 0.00000 0.00000 0.00002 0.00000 0.00000
|
|
92 2 S 1S 0.99954 0.00000 0.27634 -0.00023 -0.00155
|
|
93 2S -0.00076 0.00000 -0.34165 0.00032 0.00220
|
|
94 3S -0.00203 0.00001 0.57051 -0.00072 -0.00456
|
|
95 4S -0.00061 -0.00008 -0.15812 -0.00027 -0.00130
|
|
96 5S 0.00051 0.00037 -0.00802 -0.00042 -0.00055
|
|
97 6S -0.00065 -0.00046 0.00235 0.00094 0.00178
|
|
98 7S -0.00021 -0.00041 0.00013 0.00061 -0.00064
|
|
99 8PX 0.00014 0.00000 -0.00076 -0.27433 -0.21766
|
|
100 8PY 0.00012 -0.00001 -0.00074 0.21722 -0.27456
|
|
101 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
102 9PX 0.00012 0.00000 0.00254 0.50649 0.40139
|
|
103 9PY 0.00010 0.00006 0.00245 -0.40128 0.50661
|
|
104 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
105 10PX 0.00010 0.00000 -0.00135 -0.06231 -0.04854
|
|
106 10PY 0.00007 0.00009 -0.00094 0.04965 -0.06159
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380 12D+1 -0.00001 -0.00003 0.00004 0.00010 0.00003
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381 12D-1 -0.00001 0.00002 -0.00002 0.00002 0.00001
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382 12D+2 0.00001 0.00002 -0.00003 -0.00010 -0.00001
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383 12D-2 0.00000 -0.00001 0.00001 -0.00001 -0.00003
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384 13F 0 0.00000 0.00000 0.00000 0.00000 0.00000
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385 13F+1 0.00000 0.00000 0.00000 0.00000 0.00000
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386 13F-1 0.00000 0.00000 0.00000 0.00000 0.00000
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387 13F+2 0.00000 0.00000 0.00000 0.00000 0.00000
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388 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
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389 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
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390 13F-3 0.00000 0.00000 0.00000 0.00000 0.00000
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391 14F 0 0.00000 0.00001 0.00000 0.00001 0.00002
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392 14F+1 0.00000 -0.00001 0.00001 0.00001 0.00000
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393 14F-1 0.00000 0.00000 0.00000 0.00001 0.00000
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394 14F+2 0.00000 0.00001 -0.00001 -0.00002 0.00000
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395 14F-2 0.00000 0.00000 0.00000 -0.00001 0.00000
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396 14F+3 0.00000 -0.00001 0.00000 0.00001 0.00000
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397 14F-3 0.00000 0.00000 0.00000 0.00001 0.00001
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398 15G 0 0.00000 0.00000 0.00000 0.00000 0.00000
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399 15G+1 0.00000 0.00000 0.00000 0.00000 0.00000
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400 15G-1 0.00000 0.00000 0.00000 0.00000 0.00000
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401 15G+2 0.00000 0.00000 0.00000 0.00000 0.00000
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402 15G-2 0.00000 0.00001 0.00000 0.00000 0.00000
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403 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
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404 15G-3 0.00000 0.00000 0.00000 0.00000 0.00000
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405 15G+4 0.00000 0.00000 0.00000 0.00000 0.00000
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406 15G-4 0.00000 0.00000 0.00000 0.00000 0.00000
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6 7 8 9 10
|
|
O O O O O
|
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Eigenvalues -- -6.63337 -1.03315 -0.86610 -0.60633 -0.59127
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1 1 C 1S 0.00000 -0.07698 0.06588 -0.00355 0.00000
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2 2S 0.00000 0.12659 -0.10977 0.00626 0.00000
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3 3S 0.00000 -0.01694 0.01386 0.00000 0.00000
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4 4S 0.00000 0.18850 -0.16582 0.01140 0.00000
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5 5S 0.00000 0.25955 -0.23317 -0.00216 0.00000
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6 6S 0.00000 0.03441 -0.05485 0.00932 0.00000
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7 7PX 0.00000 -0.00043 0.00284 0.07372 0.00000
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8 7PY 0.00000 -0.00836 -0.02597 0.02190 0.00000
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9 7PZ -0.00001 0.00000 0.00000 0.00000 0.08793
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10 8PX 0.00000 -0.00068 0.00464 0.12545 0.00000
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11 8PY 0.00000 -0.01287 -0.04229 0.03748 0.00000
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12 8PZ 0.00004 0.00000 0.00000 0.00000 0.14981
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13 9PX 0.00000 -0.00049 0.00697 0.19181 0.00000
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14 9PY 0.00000 -0.03653 -0.07121 0.05857 0.00000
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15 9PZ -0.00056 0.00000 0.00000 0.00000 0.22623
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16 10PX 0.00000 0.00024 0.00208 0.12448 0.00000
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17 10PY 0.00000 -0.01339 -0.04298 0.03690 0.00000
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18 10PZ 0.00005 0.00000 0.00000 0.00000 0.15117
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19 11PX 0.00000 0.00049 -0.00055 0.02897 0.00000
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20 11PY 0.00000 0.00192 -0.00418 0.00895 0.00000
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21 11PZ -0.00006 0.00000 0.00000 0.00000 0.02814
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22 12D 0 0.00000 -0.00007 -0.00053 0.00163 0.00000
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23 12D+1 0.00000 0.00000 0.00000 0.00000 0.00179
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24 12D-1 0.00000 0.00000 0.00000 0.00000 0.00112
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25 12D+2 0.00000 -0.00011 -0.00092 -0.00051 0.00000
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26 12D-2 0.00000 0.00002 -0.00011 0.00061 0.00000
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28 13D+1 -0.00001 0.00000 0.00000 0.00000 0.00658
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29 13D-1 -0.00002 0.00000 0.00000 0.00000 0.00495
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30 13D+2 0.00000 -0.00089 -0.00365 -0.00150 0.00000
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31 13D-2 0.00000 0.00002 -0.00038 0.00278 0.00000
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32 14D 0 0.00000 -0.00443 -0.00690 0.01510 0.00000
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33 14D+1 -0.00009 0.00000 0.00000 0.00000 0.01757
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34 14D-1 0.00003 0.00000 0.00000 0.00000 0.00570
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35 14D+2 0.00000 -0.00661 -0.01049 -0.00356 0.00000
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36 14D-2 0.00000 0.00028 -0.00182 0.00084 0.00000
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38 15D+1 -0.00002 0.00000 0.00000 0.00000 0.00940
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39 15D-1 -0.00035 0.00000 0.00000 0.00000 0.00539
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40 15D+2 0.00000 -0.00034 -0.00602 0.00072 0.00000
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41 15D-2 0.00000 -0.00013 0.00048 0.00028 0.00000
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42 16F 0 0.00000 0.00000 0.00000 0.00000 0.00007
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43 16F+1 0.00000 0.00048 -0.00050 0.00008 0.00000
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44 16F-1 0.00000 0.00037 -0.00022 0.00026 0.00000
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45 16F+2 -0.00001 0.00000 0.00000 0.00000 0.00005
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46 16F-2 0.00000 0.00000 0.00000 0.00000 0.00044
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47 16F+3 0.00000 -0.00019 0.00017 0.00007 0.00000
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48 16F-3 0.00000 0.00039 -0.00022 -0.00028 0.00000
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49 17F 0 0.00002 0.00000 0.00000 0.00000 0.00046
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50 17F+1 0.00000 0.00221 -0.00288 0.00000 0.00000
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51 17F-1 0.00000 0.00220 -0.00096 0.00046 0.00000
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52 17F+2 0.00002 0.00000 0.00000 0.00000 0.00009
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53 17F-2 0.00001 0.00000 0.00000 0.00000 0.00135
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54 17F+3 0.00000 -0.00084 0.00084 0.00015 0.00000
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55 17F-3 0.00000 0.00246 -0.00066 -0.00074 0.00000
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56 18F 0 0.00001 0.00000 0.00000 0.00000 -0.00055
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57 18F+1 0.00000 0.00311 -0.00397 -0.00174 0.00000
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58 18F-1 0.00000 0.00378 -0.00165 -0.00154 0.00000
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59 18F+2 -0.00003 0.00000 0.00000 0.00000 0.00028
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60 18F-2 -0.00005 0.00000 0.00000 0.00000 0.00093
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61 18F+3 0.00000 -0.00135 0.00105 -0.00045 0.00000
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62 18F-3 0.00000 0.00308 -0.00125 -0.00048 0.00000
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63 19G 0 0.00000 0.00006 0.00003 -0.00018 0.00000
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64 19G+1 0.00000 0.00000 0.00000 0.00000 0.00034
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65 19G-1 -0.00001 0.00000 0.00000 0.00000 0.00023
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66 19G+2 0.00000 0.00006 0.00009 0.00018 0.00000
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67 19G-2 0.00000 0.00018 -0.00027 0.00015 0.00000
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68 19G+3 0.00000 0.00000 0.00000 0.00000 -0.00005
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69 19G-3 -0.00001 0.00000 0.00000 0.00000 0.00016
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70 19G+4 0.00000 0.00014 0.00004 -0.00018 0.00000
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71 19G-4 0.00000 -0.00006 0.00012 0.00017 0.00000
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72 20G 0 0.00000 0.00055 0.00031 -0.00144 0.00000
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73 20G+1 -0.00005 0.00000 0.00000 0.00000 0.00212
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74 20G-1 -0.00004 0.00000 0.00000 0.00000 0.00162
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75 20G+2 0.00000 0.00061 0.00090 0.00100 0.00000
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76 20G-2 0.00000 0.00068 -0.00151 0.00111 0.00000
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77 20G+3 -0.00001 0.00000 0.00000 0.00000 -0.00032
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78 20G-3 -0.00001 0.00000 0.00000 0.00000 0.00115
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79 20G+4 0.00000 0.00102 0.00057 -0.00119 0.00000
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80 20G-4 0.00000 -0.00015 0.00078 0.00125 0.00000
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81 21H 0 0.00000 0.00000 0.00000 0.00000 0.00008
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82 21H+1 0.00000 0.00003 0.00008 0.00004 0.00000
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83 21H-1 0.00000 -0.00001 -0.00011 -0.00009 0.00000
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84 21H+2 -0.00001 0.00000 0.00000 0.00000 0.00020
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85 21H-2 0.00000 0.00000 0.00000 0.00000 0.00046
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86 21H+3 0.00000 0.00006 0.00019 -0.00009 0.00000
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87 21H-3 0.00000 -0.00001 -0.00006 0.00035 0.00000
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88 21H+4 -0.00001 0.00000 0.00000 0.00000 0.00014
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89 21H-4 0.00000 0.00000 0.00000 0.00000 -0.00004
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90 21H+5 0.00000 -0.00008 -0.00004 0.00030 0.00000
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91 21H-5 0.00000 -0.00002 -0.00015 -0.00006 0.00000
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92 2 S 1S 0.00000 0.04965 0.05148 -0.01052 0.00000
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93 2S 0.00000 -0.06819 -0.07068 0.01448 0.00000
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94 3S 0.00000 0.22237 0.23443 -0.04961 0.00000
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95 4S 0.00000 -0.08545 -0.08834 0.01800 0.00000
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96 5S 0.00000 0.24484 0.26515 -0.05680 0.00000
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97 6S 0.00000 0.34965 0.37675 -0.09794 0.00000
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98 7S 0.00000 0.10125 0.13432 -0.05960 0.00000
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99 8PX 0.00000 -0.00531 -0.01168 -0.03591 0.00000
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100 8PY 0.00000 -0.01402 0.01029 0.01006 0.00000
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101 8PZ -0.35120 0.00000 0.00000 0.00000 -0.01947
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102 9PX 0.00000 0.01130 0.02468 0.07630 0.00000
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103 9PY 0.00000 0.02950 -0.02156 -0.02134 0.00000
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104 9PZ 0.64663 0.00000 0.00000 0.00000 0.04136
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105 10PX 0.00000 0.00396 0.00939 0.03816 0.00000
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106 10PY 0.00000 0.01108 -0.01034 -0.00956 0.00000
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107 10PZ -0.07634 0.00000 0.00000 0.00000 0.02178
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108 11PX 0.00000 0.01818 0.04577 0.15087 0.00000
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109 11PY 0.00000 0.05530 -0.04427 -0.04243 0.00000
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110 11PZ -0.00206 0.00000 0.00000 0.00000 0.08442
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111 12PX 0.00000 0.01328 0.04279 0.13957 0.00000
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112 12PY 0.00000 0.04716 -0.04475 -0.03600 0.00000
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113 12PZ -0.00106 0.00000 0.00000 0.00000 0.08901
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114 13PX 0.00000 0.00132 0.00248 0.02346 0.00000
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115 13PY 0.00000 0.00492 -0.00259 -0.00203 0.00000
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116 13PZ 0.00010 0.00000 0.00000 0.00000 0.02019
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117 14D 0 0.00000 -0.00640 0.00011 -0.00378 0.00000
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118 14D+1 0.00001 0.00000 0.00000 0.00000 0.00096
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119 14D-1 -0.00016 0.00000 0.00000 0.00000 0.01117
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120 14D+2 0.00000 -0.00782 0.01686 0.01447 0.00000
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121 14D-2 0.00000 0.00030 -0.00029 0.01007 0.00000
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122 15D 0 0.00000 -0.01397 -0.00506 -0.00491 0.00000
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123 15D+1 -0.00005 0.00000 0.00000 0.00000 0.00157
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124 15D-1 0.00007 0.00000 0.00000 0.00000 0.01714
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125 15D+2 0.00000 -0.01042 0.02193 0.02569 0.00000
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126 15D-2 0.00000 -0.00173 -0.00328 0.01073 0.00000
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127 16D 0 0.00000 -0.00379 -0.00118 -0.00251 0.00000
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128 16D+1 -0.00001 0.00000 0.00000 0.00000 0.00056
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129 16D-1 -0.00009 0.00000 0.00000 0.00000 0.00418
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130 16D+2 0.00000 -0.00233 0.00590 0.00868 0.00000
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131 16D-2 0.00000 -0.00037 -0.00098 0.00218 0.00000
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132 17D 0 0.00000 -0.00207 -0.00075 -0.00100 0.00000
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133 17D+1 -0.00082 0.00000 0.00000 0.00000 0.00027
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134 17D-1 -0.00077 0.00000 0.00000 0.00000 0.00247
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135 17D+2 0.00000 -0.00136 0.00319 0.00425 0.00000
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136 17D-2 0.00000 -0.00025 -0.00050 0.00146 0.00000
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137 18F 0 0.00026 0.00000 0.00000 0.00000 -0.00285
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138 18F+1 0.00000 -0.00134 -0.00257 -0.00280 0.00000
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139 18F-1 0.00000 -0.00285 0.00029 0.00096 0.00000
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140 18F+2 0.00008 0.00000 0.00000 0.00000 -0.00233
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141 18F-2 0.00006 0.00000 0.00000 0.00000 0.00019
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142 18F+3 0.00000 0.00154 0.00296 -0.00278 0.00000
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143 18F-3 0.00000 -0.00411 -0.00073 0.00047 0.00000
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144 19F 0 -0.00046 0.00000 0.00000 0.00000 -0.00325
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145 19F+1 0.00000 -0.00107 -0.00277 -0.00371 0.00000
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146 19F-1 0.00000 -0.00276 0.00174 0.00192 0.00000
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147 19F+2 -0.00010 0.00000 0.00000 0.00000 -0.00364
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148 19F-2 -0.00016 0.00000 0.00000 0.00000 0.00041
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149 19F+3 0.00000 0.00118 0.00277 -0.00130 0.00000
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150 19F-3 0.00000 -0.00412 0.00043 0.00032 0.00000
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151 20F 0 0.00060 0.00000 0.00000 0.00000 -0.00109
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152 20F+1 0.00000 -0.00082 -0.00128 -0.00156 0.00000
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153 20F-1 0.00000 -0.00119 0.00021 0.00067 0.00000
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154 20F+2 0.00004 0.00000 0.00000 0.00000 -0.00099
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155 20F-2 0.00019 0.00000 0.00000 0.00000 0.00003
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156 20F+3 0.00000 0.00103 0.00141 0.00004 0.00000
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157 20F-3 0.00000 -0.00188 -0.00062 -0.00005 0.00000
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158 21G 0 0.00000 0.00099 0.00032 0.00003 0.00000
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159 21G+1 0.00004 0.00000 0.00000 0.00000 -0.00012
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160 21G-1 0.00003 0.00000 0.00000 0.00000 -0.00157
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161 21G+2 0.00000 0.00069 -0.00125 -0.00102 0.00000
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162 21G-2 0.00000 0.00010 0.00003 -0.00076 0.00000
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163 21G+3 -0.00003 0.00000 0.00000 0.00000 -0.00037
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164 21G-3 0.00003 0.00000 0.00000 0.00000 -0.00092
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165 21G+4 0.00000 0.00164 0.00086 0.00030 0.00000
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166 21G-4 0.00000 -0.00034 -0.00035 -0.00173 0.00000
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167 22G 0 0.00000 0.00045 0.00031 0.00008 0.00000
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168 22G+1 0.00000 0.00000 0.00000 0.00000 0.00000
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169 22G-1 -0.00003 0.00000 0.00000 0.00000 -0.00045
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170 22G+2 0.00000 0.00012 -0.00052 -0.00052 0.00000
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171 22G-2 0.00000 0.00009 0.00009 -0.00008 0.00000
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172 22G+3 0.00000 0.00000 0.00000 0.00000 -0.00004
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173 22G-3 -0.00002 0.00000 0.00000 0.00000 -0.00043
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174 22G+4 0.00000 0.00076 0.00049 0.00022 0.00000
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175 22G-4 0.00000 -0.00015 -0.00032 -0.00060 0.00000
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176 23H 0 -0.00001 0.00000 0.00000 0.00000 0.00025
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180 23H-2 0.00000 0.00000 0.00000 0.00000 -0.00006
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181 23H+3 0.00000 -0.00014 -0.00024 0.00000 0.00000
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182 23H-3 0.00000 0.00027 0.00007 -0.00006 0.00000
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183 23H+4 -0.00002 0.00000 0.00000 0.00000 0.00021
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184 23H-4 0.00001 0.00000 0.00000 0.00000 -0.00008
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185 23H+5 0.00000 0.00016 0.00035 0.00057 0.00000
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186 23H-5 0.00000 0.00013 -0.00013 -0.00019 0.00000
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187 3 H 1S 0.00000 0.01197 0.01904 0.01824 0.00000
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188 2S 0.00000 0.02730 0.04501 0.04306 0.00000
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189 3S 0.00000 0.05554 0.08532 0.09133 0.00000
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190 4S 0.00000 0.02523 0.04283 0.09703 0.00000
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191 5S 0.00000 0.00075 0.00729 0.01807 0.00000
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192 6PX 0.00000 -0.00055 -0.00080 -0.00055 0.00000
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193 6PY 0.00000 0.00014 0.00003 0.00011 0.00000
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194 6PZ 0.00000 0.00000 0.00000 0.00000 0.00012
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196 7PY 0.00000 0.00043 0.00033 0.00035 0.00000
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197 7PZ -0.00004 0.00000 0.00000 0.00000 0.00051
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198 8PX 0.00000 -0.00897 -0.01072 -0.00929 0.00000
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199 8PY 0.00000 0.00246 -0.00008 0.00180 0.00000
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200 8PZ -0.00001 0.00000 0.00000 0.00000 0.00216
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203 9PZ 0.00011 0.00000 0.00000 0.00000 0.00324
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210 11D+1 0.00001 0.00000 0.00000 0.00000 -0.00030
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211 11D-1 0.00000 0.00000 0.00000 0.00000 0.00007
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237 15G-2 0.00000 0.00001 0.00001 0.00001 0.00000
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238 15G+3 -0.00001 0.00000 0.00000 0.00000 -0.00001
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239 15G-3 0.00001 0.00000 0.00000 0.00000 0.00000
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240 15G+4 0.00000 0.00001 0.00006 0.00007 0.00000
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241 15G-4 0.00000 -0.00002 -0.00001 -0.00004 0.00000
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242 4 H 1S 0.00000 0.01379 -0.01761 -0.02820 0.00000
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243 2S 0.00000 0.03099 -0.04004 -0.06527 0.00000
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244 3S 0.00000 0.06037 -0.07588 -0.13570 0.00000
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245 4S 0.00000 0.03590 -0.05861 -0.13343 0.00000
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246 5S 0.00000 0.00097 -0.00489 -0.02104 0.00000
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247 6PX 0.00000 0.00069 -0.00081 -0.00073 0.00000
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248 6PY 0.00000 -0.00027 0.00009 0.00054 0.00000
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249 6PZ 0.00000 0.00000 0.00000 0.00000 0.00053
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250 7PX 0.00000 0.00194 -0.00254 -0.00272 0.00000
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251 7PY 0.00000 -0.00084 0.00026 0.00199 0.00000
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252 7PZ 0.00000 0.00000 0.00000 0.00000 0.00206
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253 8PX 0.00000 0.01069 -0.01055 -0.01137 0.00000
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254 8PY 0.00000 -0.00330 0.00175 0.00607 0.00000
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255 8PZ 0.00003 0.00000 0.00000 0.00000 0.00635
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256 9PX 0.00000 0.00578 -0.00817 -0.01101 0.00000
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257 9PY 0.00000 -0.00108 0.00326 0.00650 0.00000
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258 9PZ 0.00008 0.00000 0.00000 0.00000 0.00890
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259 10D 0 0.00000 -0.00010 0.00011 0.00009 0.00000
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260 10D+1 0.00000 0.00000 0.00000 0.00000 0.00027
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261 10D-1 0.00000 0.00000 0.00000 0.00000 -0.00009
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262 10D+2 0.00000 0.00010 -0.00019 0.00002 0.00000
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263 10D-2 0.00000 -0.00013 0.00003 0.00023 0.00000
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264 11D 0 0.00000 -0.00053 0.00050 0.00118 0.00000
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265 11D+1 0.00001 0.00000 0.00000 0.00000 0.00083
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266 11D-1 0.00000 0.00000 0.00000 0.00000 -0.00002
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267 11D+2 0.00000 0.00073 -0.00097 -0.00153 0.00000
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268 11D-2 0.00000 -0.00038 0.00045 0.00108 0.00000
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269 12D 0 0.00000 -0.00129 0.00126 0.00158 0.00000
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270 12D+1 0.00004 0.00000 0.00000 0.00000 0.00186
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271 12D-1 -0.00003 0.00000 0.00000 0.00000 -0.00029
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272 12D+2 0.00000 0.00224 -0.00189 -0.00199 0.00000
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273 12D-2 0.00000 -0.00080 0.00173 0.00092 0.00000
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274 13F 0 0.00000 0.00000 0.00000 0.00000 -0.00006
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275 13F+1 0.00000 -0.00007 0.00007 0.00010 0.00000
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276 13F-1 0.00000 0.00004 -0.00001 -0.00006 0.00000
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277 13F+2 0.00000 0.00000 0.00000 0.00000 0.00007
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278 13F-2 0.00000 0.00000 0.00000 0.00000 -0.00004
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279 13F+3 0.00000 0.00004 -0.00010 -0.00005 0.00000
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280 13F-3 0.00000 -0.00006 0.00005 0.00014 0.00000
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281 14F 0 -0.00002 0.00000 0.00000 0.00000 -0.00017
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282 14F+1 0.00000 -0.00018 0.00026 0.00071 0.00000
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283 14F-1 0.00000 0.00001 -0.00013 -0.00004 0.00000
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284 14F+2 -0.00001 0.00000 0.00000 0.00000 0.00028
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285 14F-2 -0.00001 0.00000 0.00000 0.00000 0.00001
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286 14F+3 0.00000 0.00033 -0.00018 -0.00073 0.00000
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287 14F-3 0.00000 -0.00009 0.00049 0.00044 0.00000
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288 15G 0 0.00000 0.00002 -0.00003 -0.00006 0.00000
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289 15G+1 0.00000 0.00000 0.00000 0.00000 -0.00002
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290 15G-1 0.00000 0.00000 0.00000 0.00000 0.00000
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291 15G+2 0.00000 -0.00002 0.00003 0.00007 0.00000
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292 15G-2 0.00000 0.00002 -0.00003 -0.00004 0.00000
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293 15G+3 0.00000 0.00000 0.00000 0.00000 0.00002
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294 15G-3 0.00000 0.00000 0.00000 0.00000 -0.00001
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295 15G+4 0.00000 0.00003 -0.00002 -0.00005 0.00000
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|
296 15G-4 0.00000 -0.00003 0.00007 0.00010 0.00000
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|
297 5 H 1S 0.00000 0.01337 -0.01694 0.01911 0.03262
|
|
298 2S -0.00002 0.03004 -0.03870 0.04385 0.07546
|
|
299 3S 0.00028 0.05823 -0.07124 0.09799 0.15807
|
|
300 4S 0.00028 0.03554 -0.05297 0.08783 0.15454
|
|
301 5S -0.00001 0.00056 -0.00355 0.01350 0.03218
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|
302 6PX 0.00000 -0.00030 0.00038 0.00008 -0.00065
|
|
303 6PY 0.00000 -0.00031 0.00014 -0.00018 -0.00054
|
|
304 6PZ 0.00000 -0.00057 0.00068 -0.00069 -0.00065
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|
305 7PX 0.00000 -0.00089 0.00123 0.00042 -0.00213
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|
306 7PY 0.00001 -0.00094 0.00046 -0.00066 -0.00196
|
|
307 7PZ 0.00001 -0.00163 0.00216 -0.00243 -0.00221
|
|
308 8PX -0.00006 -0.00464 0.00442 -0.00099 -0.00980
|
|
309 8PY -0.00011 -0.00435 0.00226 -0.00360 -0.00688
|
|
310 8PZ -0.00011 -0.00884 0.00818 -0.01105 -0.01104
|
|
311 9PX -0.00007 -0.00287 0.00288 -0.00048 -0.00971
|
|
312 9PY 0.00005 -0.00185 0.00175 -0.00126 -0.00632
|
|
313 9PZ -0.00013 -0.00481 0.00571 -0.00992 -0.01196
|
|
314 10D 0 0.00000 0.00008 -0.00014 0.00019 -0.00006
|
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315 10D+1 0.00000 0.00011 -0.00016 -0.00005 0.00013
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316 10D-1 0.00000 0.00013 -0.00004 0.00006 0.00017
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317 10D+2 0.00000 -0.00001 -0.00006 -0.00007 -0.00001
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|
318 10D-2 0.00000 0.00007 -0.00003 -0.00007 0.00012
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319 11D 0 -0.00001 0.00048 -0.00059 0.00126 0.00099
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|
320 11D+1 0.00001 0.00063 -0.00064 0.00079 0.00187
|
|
321 11D-1 0.00002 0.00047 -0.00054 0.00093 0.00122
|
|
322 11D+2 0.00000 0.00003 -0.00014 -0.00018 0.00026
|
|
323 11D-2 0.00002 0.00022 -0.00030 0.00042 0.00082
|
|
324 12D 0 0.00002 0.00148 -0.00122 0.00182 0.00195
|
|
325 12D+1 0.00004 0.00171 -0.00125 0.00127 0.00318
|
|
326 12D-1 0.00004 0.00113 -0.00147 0.00076 0.00185
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|
327 12D+2 -0.00001 0.00039 -0.00020 0.00023 0.00086
|
|
328 12D-2 0.00001 0.00077 -0.00068 0.00018 0.00091
|
|
329 13F 0 0.00000 0.00000 0.00004 -0.00007 0.00004
|
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330 13F+1 0.00000 -0.00007 0.00008 -0.00008 -0.00012
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331 13F-1 0.00000 -0.00005 0.00005 -0.00010 -0.00010
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332 13F+2 0.00000 0.00001 0.00004 0.00003 -0.00003
|
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333 13F-2 0.00000 -0.00006 0.00005 -0.00005 -0.00014
|
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334 13F+3 0.00000 0.00001 0.00000 0.00002 0.00003
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335 13F-3 0.00000 0.00001 0.00001 0.00001 -0.00003
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|
336 14F 0 0.00001 -0.00012 0.00001 -0.00024 -0.00028
|
|
337 14F+1 -0.00001 -0.00022 0.00022 -0.00054 -0.00102
|
|
338 14F-1 0.00000 -0.00013 0.00037 -0.00035 -0.00065
|
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339 14F+2 0.00000 -0.00016 -0.00008 -0.00015 -0.00030
|
|
340 14F-2 -0.00001 -0.00014 0.00031 -0.00034 -0.00053
|
|
341 14F+3 0.00001 -0.00003 -0.00004 0.00006 -0.00003
|
|
342 14F-3 0.00001 -0.00009 0.00009 -0.00019 -0.00025
|
|
343 15G 0 0.00000 0.00000 0.00001 -0.00001 -0.00003
|
|
344 15G+1 0.00000 0.00002 -0.00003 0.00006 0.00009
|
|
345 15G-1 0.00000 0.00002 -0.00003 0.00005 0.00008
|
|
346 15G+2 0.00000 0.00001 0.00000 0.00002 0.00003
|
|
347 15G-2 0.00000 0.00004 -0.00006 0.00007 0.00012
|
|
348 15G+3 0.00000 -0.00001 0.00002 -0.00001 -0.00002
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349 15G-3 0.00000 0.00001 -0.00002 0.00003 0.00005
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350 15G+4 0.00000 0.00000 0.00000 -0.00001 -0.00001
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351 15G-4 0.00000 0.00000 0.00000 0.00000 0.00001
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|
352 6 H 1S 0.00000 0.01337 -0.01694 0.01911 -0.03262
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|
353 2S 0.00002 0.03004 -0.03870 0.04385 -0.07546
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|
354 3S -0.00028 0.05823 -0.07124 0.09799 -0.15807
|
|
355 4S -0.00028 0.03554 -0.05297 0.08783 -0.15454
|
|
356 5S 0.00001 0.00056 -0.00355 0.01350 -0.03218
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|
357 6PX 0.00000 -0.00030 0.00038 0.00008 0.00065
|
|
358 6PY 0.00000 -0.00031 0.00014 -0.00018 0.00054
|
|
359 6PZ 0.00000 0.00057 -0.00068 0.00069 -0.00065
|
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360 7PX 0.00000 -0.00089 0.00123 0.00042 0.00213
|
|
361 7PY -0.00001 -0.00094 0.00046 -0.00066 0.00196
|
|
362 7PZ 0.00001 0.00163 -0.00216 0.00243 -0.00221
|
|
363 8PX 0.00006 -0.00464 0.00442 -0.00099 0.00980
|
|
364 8PY 0.00011 -0.00435 0.00226 -0.00360 0.00688
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|
365 8PZ -0.00011 0.00884 -0.00818 0.01105 -0.01104
|
|
366 9PX 0.00007 -0.00287 0.00288 -0.00048 0.00971
|
|
367 9PY -0.00005 -0.00185 0.00175 -0.00126 0.00632
|
|
368 9PZ -0.00013 0.00481 -0.00571 0.00992 -0.01196
|
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369 10D 0 0.00000 0.00008 -0.00014 0.00019 0.00006
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370 10D+1 0.00000 -0.00011 0.00016 0.00005 0.00013
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371 10D-1 0.00000 -0.00013 0.00004 -0.00006 0.00017
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372 10D+2 0.00000 -0.00001 -0.00006 -0.00007 0.00001
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373 10D-2 0.00000 0.00007 -0.00003 -0.00007 -0.00012
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|
374 11D 0 0.00001 0.00048 -0.00059 0.00126 -0.00099
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375 11D+1 0.00001 -0.00063 0.00064 -0.00079 0.00187
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376 11D-1 0.00002 -0.00047 0.00054 -0.00093 0.00122
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377 11D+2 0.00000 0.00003 -0.00014 -0.00018 -0.00026
|
|
378 11D-2 -0.00002 0.00022 -0.00030 0.00042 -0.00082
|
|
379 12D 0 -0.00002 0.00148 -0.00122 0.00182 -0.00195
|
|
380 12D+1 0.00004 -0.00171 0.00125 -0.00127 0.00318
|
|
381 12D-1 0.00004 -0.00113 0.00147 -0.00076 0.00185
|
|
382 12D+2 0.00001 0.00039 -0.00020 0.00023 -0.00086
|
|
383 12D-2 -0.00001 0.00077 -0.00068 0.00018 -0.00091
|
|
384 13F 0 0.00000 0.00000 -0.00004 0.00007 0.00004
|
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385 13F+1 0.00000 -0.00007 0.00008 -0.00008 0.00012
|
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386 13F-1 0.00000 -0.00005 0.00005 -0.00010 0.00010
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387 13F+2 0.00000 -0.00001 -0.00004 -0.00003 -0.00003
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388 13F-2 0.00000 0.00006 -0.00005 0.00005 -0.00014
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389 13F+3 0.00000 0.00001 0.00000 0.00002 -0.00003
|
|
390 13F-3 0.00000 0.00001 0.00001 0.00001 0.00003
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|
391 14F 0 0.00001 0.00012 -0.00001 0.00024 -0.00028
|
|
392 14F+1 0.00001 -0.00022 0.00022 -0.00054 0.00102
|
|
393 14F-1 0.00000 -0.00013 0.00037 -0.00035 0.00065
|
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394 14F+2 0.00000 0.00016 0.00008 0.00015 -0.00030
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395 14F-2 -0.00001 0.00014 -0.00031 0.00034 -0.00053
|
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396 14F+3 -0.00001 -0.00003 -0.00004 0.00006 0.00003
|
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397 14F-3 -0.00001 -0.00009 0.00009 -0.00019 0.00025
|
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398 15G 0 0.00000 0.00000 0.00001 -0.00001 0.00003
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399 15G+1 0.00000 -0.00002 0.00003 -0.00006 0.00009
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400 15G-1 0.00000 -0.00002 0.00003 -0.00005 0.00008
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401 15G+2 0.00000 0.00001 0.00000 0.00002 -0.00003
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402 15G-2 0.00000 0.00004 -0.00006 0.00007 -0.00012
|
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403 15G+3 0.00000 0.00001 -0.00002 0.00001 -0.00002
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404 15G-3 0.00000 -0.00001 0.00002 -0.00003 0.00005
|
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405 15G+4 0.00000 0.00000 0.00000 -0.00001 0.00001
|
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406 15G-4 0.00000 0.00000 0.00000 0.00000 -0.00001
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|
11 12 13 14 15
|
|
O O O V V
|
|
Eigenvalues -- -0.52685 -0.45887 -0.35753 0.08679 0.10975
|
|
1 1 C 1S -0.00256 0.00726 0.00000 -0.03212 0.01901
|
|
2 2S 0.00378 -0.01208 0.00000 0.04975 -0.03740
|
|
3 3S -0.00266 0.00253 0.00000 -0.03216 -0.02242
|
|
4 4S 0.01088 -0.02511 0.00000 -0.11154 0.34710
|
|
5 5S 0.02795 -0.00790 0.00000 2.29776 -1.26828
|
|
6 6S 0.03240 -0.01079 0.00000 5.53218 -3.91662
|
|
7 7PX 0.04844 0.02019 0.00000 -0.00014 0.00435
|
|
8 7PY -0.05134 0.04956 0.00000 0.00558 0.01480
|
|
9 7PZ 0.00000 0.00000 -0.02279 0.00000 0.00000
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|
10 8PX 0.08344 0.03537 0.00000 0.00896 0.04277
|
|
11 8PY -0.08744 0.08436 0.00000 -0.00557 0.01517
|
|
12 8PZ 0.00000 0.00000 -0.04175 0.00000 0.00000
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|
13 9PX 0.12234 0.04332 0.00000 -0.05078 -0.30825
|
|
14 9PY -0.14601 0.14196 0.00000 0.27501 -0.04233
|
|
15 9PZ 0.00000 0.00000 -0.03943 0.00000 0.00000
|
|
16 10PX 0.09336 0.02508 0.00000 -0.53911 -1.38719
|
|
17 10PY -0.10453 0.11836 0.00000 0.18969 2.22166
|
|
18 10PZ 0.00000 0.00000 -0.01821 0.00000 0.00000
|
|
19 11PX 0.02372 0.00402 0.00000 -0.04590 0.16025
|
|
20 11PY -0.02988 0.02208 0.00000 -0.01290 1.11057
|
|
21 11PZ 0.00000 0.00000 -0.02883 0.00000 0.00000
|
|
22 12D 0 0.00032 0.00108 0.00000 -0.00100 0.00171
|
|
23 12D+1 0.00000 0.00000 -0.00072 0.00000 0.00000
|
|
24 12D-1 0.00000 0.00000 -0.00129 0.00000 0.00000
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|
25 12D+2 -0.00173 0.00046 0.00000 -0.00189 0.00169
|
|
26 12D-2 0.00075 0.00072 0.00000 -0.00004 0.00007
|
|
27 13D 0 0.00068 0.00380 0.00000 0.00607 -0.00624
|
|
28 13D+1 0.00000 0.00000 -0.00258 0.00000 0.00000
|
|
29 13D-1 0.00000 0.00000 -0.00569 0.00000 0.00000
|
|
30 13D+2 -0.00739 0.00205 0.00000 0.00608 -0.01646
|
|
31 13D-2 0.00334 0.00293 0.00000 -0.00086 0.00061
|
|
32 14D 0 0.00085 0.01547 0.00000 0.01839 -0.14919
|
|
33 14D+1 0.00000 0.00000 -0.00060 0.00000 0.00000
|
|
34 14D-1 0.00000 0.00000 -0.01114 0.00000 0.00000
|
|
35 14D+2 -0.02214 0.01285 0.00000 0.12831 0.10641
|
|
36 14D-2 0.00777 0.00910 0.00000 -0.00742 -0.12137
|
|
37 15D 0 0.00280 0.00803 0.00000 -0.16146 0.00808
|
|
38 15D+1 0.00000 0.00000 0.00375 0.00000 0.00000
|
|
39 15D-1 0.00000 0.00000 -0.00401 0.00000 0.00000
|
|
40 15D+2 -0.01173 0.00738 0.00000 0.09699 0.87997
|
|
41 15D-2 0.00476 0.00485 0.00000 0.01845 -0.15590
|
|
42 16F 0 0.00000 0.00000 -0.00017 0.00000 0.00000
|
|
43 16F+1 -0.00011 0.00004 0.00000 -0.00188 0.00353
|
|
44 16F-1 0.00033 -0.00001 0.00000 0.00046 0.00316
|
|
45 16F+2 0.00000 0.00000 -0.00015 0.00000 0.00000
|
|
46 16F-2 0.00000 0.00000 -0.00025 0.00000 0.00000
|
|
47 16F+3 0.00023 0.00018 0.00000 0.00073 -0.00014
|
|
48 16F-3 0.00007 -0.00016 0.00000 0.00010 0.00114
|
|
49 17F 0 0.00000 0.00000 -0.00127 0.00000 0.00000
|
|
50 17F+1 -0.00061 0.00185 0.00000 0.03790 -0.03187
|
|
51 17F-1 0.00113 0.00024 0.00000 0.00742 -0.02896
|
|
52 17F+2 0.00000 0.00000 -0.00192 0.00000 0.00000
|
|
53 17F-2 0.00000 0.00000 0.00028 0.00000 0.00000
|
|
54 17F+3 0.00139 0.00032 0.00000 -0.01600 -0.00304
|
|
55 17F-3 0.00047 -0.00076 0.00000 0.01236 -0.00173
|
|
56 18F 0 0.00000 0.00000 -0.00061 0.00000 0.00000
|
|
57 18F+1 -0.00160 0.00380 0.00000 0.12990 -0.12175
|
|
58 18F-1 0.00105 0.00161 0.00000 0.06627 -0.14688
|
|
59 18F+2 0.00000 0.00000 -0.00260 0.00000 0.00000
|
|
60 18F-2 0.00000 0.00000 0.00151 0.00000 0.00000
|
|
61 18F+3 0.00197 -0.00023 0.00000 -0.03730 -0.00283
|
|
62 18F-3 -0.00005 -0.00166 0.00000 0.12978 -0.07971
|
|
63 19G 0 -0.00002 -0.00008 0.00000 -0.00074 0.00085
|
|
64 19G+1 0.00000 0.00000 -0.00008 0.00000 0.00000
|
|
65 19G-1 0.00000 0.00000 0.00005 0.00000 0.00000
|
|
66 19G+2 0.00026 -0.00003 0.00000 -0.00123 0.00061
|
|
67 19G-2 -0.00004 0.00009 0.00000 0.00048 -0.00022
|
|
68 19G+3 0.00000 0.00000 -0.00003 0.00000 0.00000
|
|
69 19G-3 0.00000 0.00000 0.00004 0.00000 0.00000
|
|
70 19G+4 0.00008 -0.00011 0.00000 -0.00130 0.00086
|
|
71 19G-4 0.00013 -0.00007 0.00000 -0.00004 -0.00024
|
|
72 20G 0 0.00013 -0.00073 0.00000 0.00653 0.00239
|
|
73 20G+1 0.00000 0.00000 0.00012 0.00000 0.00000
|
|
74 20G-1 0.00000 0.00000 0.00102 0.00000 0.00000
|
|
75 20G+2 0.00159 -0.00098 0.00000 0.00316 -0.02073
|
|
76 20G-2 -0.00097 0.00121 0.00000 0.02155 -0.02175
|
|
77 20G+3 0.00000 0.00000 0.00004 0.00000 0.00000
|
|
78 20G-3 0.00000 0.00000 0.00070 0.00000 0.00000
|
|
79 20G+4 0.00081 -0.00068 0.00000 0.01264 -0.00622
|
|
80 20G-4 0.00094 -0.00053 0.00000 -0.01184 -0.00673
|
|
81 21H 0 0.00000 0.00000 0.00005 0.00000 0.00000
|
|
82 21H+1 0.00021 -0.00004 0.00000 -0.00057 -0.00101
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|
|
338 14F-1 0.00001 -0.00032 0.00033 0.00570 -0.00110
|
|
339 14F+2 0.00011 0.00001 0.00024 -0.00005 0.00293
|
|
340 14F-2 0.00003 -0.00019 0.00031 0.00548 -0.00071
|
|
341 14F+3 0.00002 0.00008 0.00004 -0.00116 0.00075
|
|
342 14F-3 0.00011 -0.00003 0.00018 -0.00032 0.00177
|
|
343 15G 0 0.00001 0.00001 0.00001 0.00018 -0.00014
|
|
344 15G+1 0.00000 0.00006 -0.00004 -0.00051 0.00007
|
|
345 15G-1 0.00001 0.00004 -0.00003 -0.00031 -0.00016
|
|
346 15G+2 -0.00001 0.00002 -0.00002 0.00002 -0.00018
|
|
347 15G-2 0.00000 0.00004 -0.00003 -0.00033 -0.00006
|
|
348 15G+3 -0.00001 0.00000 -0.00001 0.00023 -0.00017
|
|
349 15G-3 -0.00001 0.00001 -0.00002 -0.00012 -0.00020
|
|
350 15G+4 0.00000 0.00000 0.00000 0.00018 -0.00013
|
|
351 15G-4 -0.00001 0.00000 -0.00001 0.00002 -0.00009
|
|
352 6 H 1S 0.00221 0.01185 0.01179 -0.00136 -0.00053
|
|
353 2S 0.00566 0.02752 0.02759 0.02962 -0.01449
|
|
354 3S 0.01330 0.05012 0.07413 -0.35811 0.47081
|
|
355 4S 0.00454 0.05900 0.11066 -0.96483 0.62885
|
|
356 5S 0.00486 0.03033 0.02645 -1.19752 0.02233
|
|
357 6PX 0.00027 -0.00009 -0.00018 -0.00104 0.00003
|
|
358 6PY -0.00034 0.00016 -0.00004 -0.00048 0.00007
|
|
359 6PZ 0.00006 0.00039 0.00020 0.00118 -0.00041
|
|
360 7PX 0.00088 -0.00035 -0.00060 0.00142 0.00062
|
|
361 7PY -0.00142 0.00082 -0.00015 -0.00054 0.00313
|
|
362 7PZ 0.00036 0.00133 0.00065 0.00112 -0.00009
|
|
363 8PX 0.00315 0.00033 -0.00601 0.02880 -0.06780
|
|
364 8PY -0.00380 0.00243 -0.00285 0.03741 -0.06744
|
|
365 8PZ 0.00198 0.00374 0.00844 -0.07775 0.12909
|
|
366 9PX 0.00510 0.00087 -0.00883 0.15876 -0.07443
|
|
367 9PY -0.00403 0.00466 -0.00330 0.18365 -0.21635
|
|
368 9PZ 0.00063 0.00663 0.01321 -0.38236 0.13785
|
|
369 10D 0 0.00000 0.00012 0.00000 0.00070 -0.00099
|
|
370 10D+1 0.00009 -0.00004 -0.00002 -0.00058 0.00018
|
|
371 10D-1 -0.00016 0.00006 -0.00003 -0.00022 0.00061
|
|
372 10D+2 -0.00015 0.00007 0.00002 0.00049 -0.00129
|
|
373 10D-2 0.00004 -0.00002 0.00000 0.00035 -0.00024
|
|
374 11D 0 0.00033 0.00075 0.00060 -0.00550 0.01102
|
|
375 11D+1 0.00023 -0.00036 -0.00101 0.00563 -0.00738
|
|
376 11D-1 -0.00034 -0.00005 -0.00071 0.00369 -0.00839
|
|
377 11D+2 -0.00034 0.00006 0.00028 -0.00227 0.00618
|
|
378 11D-2 0.00009 -0.00009 0.00042 -0.00296 0.00386
|
|
379 12D 0 0.00068 0.00199 0.00170 -0.03383 -0.00182
|
|
380 12D+1 0.00058 -0.00013 -0.00268 0.02885 -0.01904
|
|
381 12D-1 -0.00032 -0.00043 -0.00183 0.04246 -0.03340
|
|
382 12D+2 -0.00091 0.00008 0.00092 0.01010 -0.03354
|
|
383 12D-2 -0.00010 0.00034 0.00090 -0.01714 0.01217
|
|
384 13F 0 0.00002 0.00004 0.00000 0.00008 0.00028
|
|
385 13F+1 0.00002 -0.00005 -0.00006 0.00032 -0.00074
|
|
386 13F-1 -0.00005 -0.00001 -0.00005 0.00003 -0.00058
|
|
387 13F+2 -0.00006 0.00003 0.00002 0.00012 0.00019
|
|
388 13F-2 0.00001 0.00000 0.00005 0.00018 0.00053
|
|
389 13F+3 0.00004 -0.00001 0.00000 -0.00010 0.00020
|
|
390 13F-3 0.00000 0.00000 -0.00002 0.00032 -0.00033
|
|
391 14F 0 0.00016 0.00040 0.00005 -0.00237 -0.00105
|
|
392 14F+1 0.00001 -0.00037 -0.00047 0.00458 -0.00017
|
|
393 14F-1 0.00001 -0.00032 -0.00033 0.00570 -0.00110
|
|
394 14F+2 -0.00011 -0.00001 0.00024 0.00005 -0.00293
|
|
395 14F-2 -0.00003 0.00019 0.00031 -0.00548 0.00071
|
|
396 14F+3 0.00002 0.00008 -0.00004 -0.00116 0.00075
|
|
397 14F-3 0.00011 -0.00003 -0.00018 -0.00032 0.00177
|
|
398 15G 0 0.00001 0.00001 -0.00001 0.00018 -0.00014
|
|
399 15G+1 0.00000 -0.00006 -0.00004 0.00051 -0.00007
|
|
400 15G-1 -0.00001 -0.00004 -0.00003 0.00031 0.00016
|
|
401 15G+2 -0.00001 0.00002 0.00002 0.00002 -0.00018
|
|
402 15G-2 0.00000 0.00004 0.00003 -0.00033 -0.00006
|
|
403 15G+3 0.00001 0.00000 -0.00001 -0.00023 0.00017
|
|
404 15G-3 0.00001 -0.00001 -0.00002 0.00012 0.00020
|
|
405 15G+4 0.00000 0.00000 0.00000 0.00018 -0.00013
|
|
406 15G-4 -0.00001 0.00000 0.00001 0.00002 -0.00009
|
|
16 17 18 19 20
|
|
V V V V V
|
|
Eigenvalues -- 0.13694 0.13702 0.17007 0.20007 0.21330
|
|
1 1 C 1S 0.00314 0.00000 0.00647 0.00608 -0.00809
|
|
2 2S -0.00639 0.00000 -0.01526 -0.00810 0.01494
|
|
3 3S -0.00289 0.00000 -0.01676 0.01518 -0.00063
|
|
4 4S 0.02166 0.00000 0.12671 0.11788 -0.02599
|
|
5 5S -0.00352 0.00000 -0.20744 -1.60728 0.65751
|
|
6 6S -1.06354 0.00000 0.00958 -0.28022 0.95525
|
|
7 7PX -0.03043 0.00000 0.00262 -0.00814 -0.00009
|
|
8 7PY 0.00481 0.00000 0.03838 0.01402 -0.02400
|
|
9 7PZ 0.00000 0.03101 0.00000 0.00000 0.00000
|
|
10 8PX -0.16823 0.00000 -0.01014 -0.02730 -0.07089
|
|
11 8PY 0.00421 0.00000 0.05950 0.02671 -0.04030
|
|
12 8PZ 0.00000 0.18228 0.00000 0.00000 0.00000
|
|
13 9PX 1.08159 0.00000 0.29738 0.15331 0.90063
|
|
14 9PY 0.03426 0.00000 0.14971 -0.01056 -0.03220
|
|
15 9PZ 0.00000 -1.24261 0.00000 0.00000 0.00000
|
|
16 10PX 5.74774 0.00000 0.69419 1.12493 4.50814
|
|
17 10PY 0.87563 0.00000 1.17103 0.04770 0.10618
|
|
18 10PZ 0.00000 -5.99349 0.00000 0.00000 0.00000
|
|
19 11PX -0.96647 0.00000 1.40777 0.02702 3.50700
|
|
20 11PY 0.82962 0.00000 1.71332 -2.85630 0.05371
|
|
21 11PZ 0.00000 1.19526 0.00000 0.00000 0.00000
|
|
22 12D 0 -0.00195 0.00000 -0.00198 0.00183 -0.00556
|
|
23 12D+1 0.00000 0.00218 0.00000 0.00000 0.00000
|
|
24 12D-1 0.00000 0.00176 0.00000 0.00000 0.00000
|
|
25 12D+2 0.00134 0.00000 0.00101 0.00279 0.00265
|
|
26 12D-2 -0.00165 0.00000 -0.00014 0.00076 -0.00344
|
|
27 13D 0 -0.00288 0.00000 0.00524 -0.00766 0.01404
|
|
28 13D+1 0.00000 0.00146 0.00000 0.00000 0.00000
|
|
29 13D-1 0.00000 0.00021 0.00000 0.00000 0.00000
|
|
30 13D+2 -0.00221 0.00000 -0.00863 -0.00786 -0.00068
|
|
31 13D-2 0.00120 0.00000 0.00514 -0.00504 0.01079
|
|
32 14D 0 0.46713 0.00000 0.07220 0.15829 0.22901
|
|
33 14D+1 0.00000 -0.56231 0.00000 0.00000 0.00000
|
|
34 14D-1 0.00000 -0.48384 0.00000 0.00000 0.00000
|
|
35 14D+2 -0.32092 0.00000 0.02573 0.08293 -0.27074
|
|
36 14D-2 0.34394 0.00000 0.05575 0.09069 0.15117
|
|
37 15D 0 1.52861 0.00000 0.43262 0.00181 1.44770
|
|
38 15D+1 0.00000 -1.43209 0.00000 0.00000 0.00000
|
|
39 15D-1 0.00000 -0.97172 0.00000 0.00000 0.00000
|
|
40 15D+2 -0.65556 0.00000 0.16979 -0.48627 -0.84789
|
|
41 15D-2 0.63264 0.00000 0.12549 0.00949 0.24941
|
|
42 16F 0 0.00000 0.00277 0.00000 0.00000 0.00000
|
|
43 16F+1 -0.00040 0.00000 0.00032 -0.00208 0.00044
|
|
44 16F-1 -0.00348 0.00000 0.00201 0.00192 -0.00165
|
|
45 16F+2 0.00000 0.00239 0.00000 0.00000 0.00000
|
|
46 16F-2 0.00000 0.00454 0.00000 0.00000 0.00000
|
|
47 16F+3 -0.00417 0.00000 -0.00086 -0.00074 -0.00290
|
|
48 16F-3 0.00177 0.00000 0.00115 0.00392 -0.00112
|
|
49 17F 0 0.00000 -0.03338 0.00000 0.00000 0.00000
|
|
50 17F+1 0.00618 0.00000 0.00309 0.00205 0.00118
|
|
51 17F-1 0.04655 0.00000 -0.00549 -0.01892 0.03117
|
|
52 17F+2 0.00000 -0.02797 0.00000 0.00000 0.00000
|
|
53 17F-2 0.00000 -0.06452 0.00000 0.00000 0.00000
|
|
54 17F+3 0.05003 0.00000 0.01249 0.01029 0.04065
|
|
55 17F-3 -0.02480 0.00000 -0.00990 -0.04002 0.00036
|
|
56 18F 0 0.00000 -0.07118 0.00000 0.00000 0.00000
|
|
57 18F+1 0.02284 0.00000 0.02169 -0.03322 -0.02058
|
|
58 18F-1 0.05889 0.00000 -0.02530 0.04288 0.04049
|
|
59 18F+2 0.00000 -0.02577 0.00000 0.00000 0.00000
|
|
60 18F-2 0.00000 -0.15435 0.00000 0.00000 0.00000
|
|
61 18F+3 0.08609 0.00000 0.05233 -0.00398 0.08329
|
|
62 18F-3 -0.08348 0.00000 -0.00241 0.02610 -0.01210
|
|
63 19G 0 -0.00085 0.00000 -0.00121 0.00023 -0.00176
|
|
64 19G+1 0.00000 -0.00144 0.00000 0.00000 0.00000
|
|
65 19G-1 0.00000 -0.00031 0.00000 0.00000 0.00000
|
|
66 19G+2 0.00096 0.00000 0.00065 0.00044 0.00265
|
|
67 19G-2 0.00065 0.00000 0.00061 -0.00321 0.00150
|
|
68 19G+3 0.00000 0.00086 0.00000 0.00000 0.00000
|
|
69 19G-3 0.00000 -0.00016 0.00000 0.00000 0.00000
|
|
70 19G+4 0.00000 0.00000 -0.00144 -0.00030 -0.00104
|
|
71 19G-4 0.00023 0.00000 0.00129 0.00088 0.00134
|
|
72 20G 0 -0.03261 0.00000 -0.00413 0.00252 -0.02449
|
|
73 20G+1 0.00000 -0.06328 0.00000 0.00000 0.00000
|
|
74 20G-1 0.00000 -0.04624 0.00000 0.00000 0.00000
|
|
75 20G+2 0.04575 0.00000 0.01136 0.01480 0.02282
|
|
76 20G-2 0.02035 0.00000 -0.00117 -0.00255 0.01222
|
|
77 20G+3 0.00000 0.00877 0.00000 0.00000 0.00000
|
|
78 20G-3 0.00000 -0.03062 0.00000 0.00000 0.00000
|
|
79 20G+4 -0.03284 0.00000 0.00238 0.01449 -0.02631
|
|
80 20G-4 0.03906 0.00000 -0.00086 0.01397 0.01427
|
|
81 21H 0 0.00000 0.00175 0.00000 0.00000 0.00000
|
|
82 21H+1 0.00298 0.00000 -0.00080 0.00179 -0.00121
|
|
83 21H-1 -0.00102 0.00000 -0.00082 0.00057 -0.00219
|
|
84 21H+2 0.00000 -0.00162 0.00000 0.00000 0.00000
|
|
85 21H-2 0.00000 -0.00759 0.00000 0.00000 0.00000
|
|
86 21H+3 -0.00171 0.00000 0.00096 0.00273 -0.00146
|
|
87 21H-3 0.00577 0.00000 0.00094 0.00189 0.00271
|
|
88 21H+4 0.00000 0.00011 0.00000 0.00000 0.00000
|
|
89 21H-4 0.00000 0.00016 0.00000 0.00000 0.00000
|
|
90 21H+5 0.00227 0.00000 -0.00058 -0.00241 0.00281
|
|
91 21H-5 -0.00304 0.00000 0.00012 -0.00079 -0.00082
|
|
92 2 S 1S 0.00888 0.00000 0.00784 -0.00673 -0.00304
|
|
93 2S -0.01010 0.00000 -0.00976 0.00826 0.00348
|
|
94 3S 0.04957 0.00000 0.04165 -0.03566 -0.01687
|
|
95 4S 0.02014 0.00000 0.00144 -0.01099 -0.00929
|
|
96 5S -0.08728 0.00000 0.03469 0.26707 0.13749
|
|
97 6S 0.23319 0.00000 -0.23969 -1.18130 -0.23458
|
|
98 7S 2.04266 0.00000 1.84657 -2.86285 -1.86669
|
|
99 8PX 0.00114 0.00000 0.02610 -0.00632 -0.00777
|
|
100 8PY -0.00273 0.00000 -0.01585 0.00763 0.00921
|
|
101 8PZ 0.00000 -0.00562 0.00000 0.00000 0.00000
|
|
102 9PX -0.00437 0.00000 -0.05555 0.01665 0.01935
|
|
103 9PY 0.00330 0.00000 0.03442 -0.01225 -0.02052
|
|
104 9PZ 0.00000 0.01652 0.00000 0.00000 0.00000
|
|
105 10PX -0.00808 0.00000 -0.03164 0.02692 0.02861
|
|
106 10PY -0.00717 0.00000 0.02758 0.01484 -0.02038
|
|
107 10PZ 0.00000 0.02570 0.00000 0.00000 0.00000
|
|
108 11PX 0.01631 0.00000 -0.09648 0.04701 0.00854
|
|
109 11PY 0.02122 0.00000 -0.03332 -0.18464 0.02774
|
|
110 11PZ 0.00000 -0.04866 0.00000 0.00000 0.00000
|
|
111 12PX -0.01749 0.00000 -0.53529 -1.50719 -1.07559
|
|
112 12PY 0.40372 0.00000 0.83345 0.15118 -0.04132
|
|
113 12PZ 0.00000 0.32088 0.00000 0.00000 0.00000
|
|
114 13PX 0.29400 0.00000 -1.13145 -0.68014 -1.23997
|
|
115 13PY 0.69535 0.00000 2.11888 -0.44953 -1.13828
|
|
116 13PZ 0.00000 -0.12085 0.00000 0.00000 0.00000
|
|
117 14D 0 -0.28253 0.00000 -0.19677 0.26831 0.24984
|
|
118 14D+1 0.00000 0.05630 0.00000 0.00000 0.00000
|
|
119 14D-1 0.00000 0.18044 0.00000 0.00000 0.00000
|
|
120 14D+2 0.03323 0.00000 -0.61494 -0.88420 -0.10760
|
|
121 14D-2 -0.27591 0.00000 0.10811 0.04044 -0.24567
|
|
122 15D 0 0.03827 0.00000 0.02413 0.06927 -0.02262
|
|
123 15D+1 0.00000 -0.01177 0.00000 0.00000 0.00000
|
|
124 15D-1 0.00000 0.00744 0.00000 0.00000 0.00000
|
|
125 15D+2 -0.04248 0.00000 0.11295 0.04377 -0.13424
|
|
126 15D-2 0.00752 0.00000 -0.00072 0.03375 0.08703
|
|
127 16D 0 -0.00198 0.00000 -0.00823 -0.00430 -0.01367
|
|
128 16D+1 0.00000 -0.00194 0.00000 0.00000 0.00000
|
|
129 16D-1 0.00000 0.00264 0.00000 0.00000 0.00000
|
|
130 16D+2 0.00447 0.00000 0.01888 0.01894 0.00399
|
|
131 16D-2 -0.00454 0.00000 -0.00084 -0.00379 -0.00198
|
|
132 17D 0 0.00370 0.00000 0.00009 0.00092 -0.00719
|
|
133 17D+1 0.00000 -0.00155 0.00000 0.00000 0.00000
|
|
134 17D-1 0.00000 0.00265 0.00000 0.00000 0.00000
|
|
135 17D+2 -0.00209 0.00000 0.01317 0.00731 -0.00550
|
|
136 17D-2 -0.00191 0.00000 0.00017 0.00123 0.00701
|
|
137 18F 0 0.00000 -0.03082 0.00000 0.00000 0.00000
|
|
138 18F+1 -0.03663 0.00000 0.04561 0.18208 0.09382
|
|
139 18F-1 -0.05590 0.00000 -0.12258 -0.15849 0.02520
|
|
140 18F+2 0.00000 -0.06005 0.00000 0.00000 0.00000
|
|
141 18F-2 0.00000 0.04852 0.00000 0.00000 0.00000
|
|
142 18F+3 0.14905 0.00000 -0.08875 -0.14800 0.01260
|
|
143 18F-3 -0.00449 0.00000 -0.05203 -0.10962 0.18501
|
|
144 19F 0 0.00000 -0.01487 0.00000 0.00000 0.00000
|
|
145 19F+1 0.01868 0.00000 -0.00274 -0.00064 0.01246
|
|
146 19F-1 0.00201 0.00000 0.00435 0.02458 -0.00969
|
|
147 19F+2 0.00000 0.00046 0.00000 0.00000 0.00000
|
|
148 19F-2 0.00000 -0.01865 0.00000 0.00000 0.00000
|
|
149 19F+3 -0.00758 0.00000 0.00110 -0.01286 -0.02313
|
|
150 19F-3 -0.00459 0.00000 -0.00707 0.03934 -0.01638
|
|
151 20F 0 0.00000 0.00328 0.00000 0.00000 0.00000
|
|
152 20F+1 -0.00337 0.00000 -0.00002 0.00518 0.00247
|
|
153 20F-1 -0.00070 0.00000 0.00146 -0.00218 -0.00114
|
|
154 20F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
155 20F-2 0.00000 0.00403 0.00000 0.00000 0.00000
|
|
156 20F+3 -0.00035 0.00000 0.00238 -0.00182 -0.00461
|
|
157 20F-3 0.00044 0.00000 0.00608 -0.00042 0.00291
|
|
158 21G 0 0.00617 0.00000 0.00901 0.00255 -0.01086
|
|
159 21G+1 0.00000 -0.00618 0.00000 0.00000 0.00000
|
|
160 21G-1 0.00000 -0.01215 0.00000 0.00000 0.00000
|
|
161 21G+2 0.00173 0.00000 0.02797 0.05483 0.00316
|
|
162 21G-2 0.00462 0.00000 -0.00835 0.00224 0.00056
|
|
163 21G+3 0.00000 -0.00100 0.00000 0.00000 0.00000
|
|
164 21G-3 0.00000 -0.01655 0.00000 0.00000 0.00000
|
|
165 21G+4 0.00380 0.00000 0.00279 0.00127 -0.04489
|
|
166 21G-4 0.02498 0.00000 -0.00352 0.01471 0.02523
|
|
167 22G 0 -0.00152 0.00000 -0.00150 -0.00316 0.00020
|
|
168 22G+1 0.00000 0.00068 0.00000 0.00000 0.00000
|
|
169 22G-1 0.00000 0.00108 0.00000 0.00000 0.00000
|
|
170 22G+2 0.00047 0.00000 -0.00538 -0.00743 0.00291
|
|
171 22G-2 -0.00050 0.00000 0.00178 -0.00197 0.00009
|
|
172 22G+3 0.00000 0.00155 0.00000 0.00000 0.00000
|
|
173 22G-3 0.00000 0.00153 0.00000 0.00000 0.00000
|
|
174 22G+4 -0.00037 0.00000 -0.00051 -0.00460 0.00392
|
|
175 22G-4 -0.00243 0.00000 0.00022 0.00146 -0.00297
|
|
176 23H 0 0.00000 0.00248 0.00000 0.00000 0.00000
|
|
177 23H+1 -0.00024 0.00000 -0.00028 -0.00286 -0.00175
|
|
178 23H-1 0.00035 0.00000 0.00213 0.00326 -0.00120
|
|
179 23H+2 0.00000 0.00096 0.00000 0.00000 0.00000
|
|
180 23H-2 0.00000 0.00062 0.00000 0.00000 0.00000
|
|
181 23H+3 -0.00155 0.00000 0.00151 0.00187 0.00038
|
|
182 23H-3 -0.00007 0.00000 0.00206 0.00231 -0.00156
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183 23H+4 0.00000 0.00270 0.00000 0.00000 0.00000
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184 23H-4 0.00000 -0.00098 0.00000 0.00000 0.00000
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185 23H+5 -0.00283 0.00000 -0.00086 -0.00334 -0.00465
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186 23H-5 0.00115 0.00000 0.00183 0.00464 -0.00242
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187 3 H 1S -0.00322 0.00000 0.01427 0.00936 -0.00082
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188 2S -0.00535 0.00000 0.01486 -0.00544 -0.01191
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189 3S -0.06199 0.00000 0.24971 0.32796 0.07473
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190 4S -0.67949 0.00000 0.72316 3.16434 2.00969
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191 5S -0.03542 0.00000 1.33026 -1.58011 -0.83150
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192 6PX 0.00000 0.00000 0.00071 -0.00362 -0.00247
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193 6PY -0.00025 0.00000 0.00142 0.00192 0.00071
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194 6PZ 0.00000 -0.00099 0.00000 0.00000 0.00000
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195 7PX 0.00012 0.00000 0.00051 0.02003 0.01425
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196 7PY 0.00127 0.00000 -0.00437 -0.00777 -0.00172
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197 7PZ 0.00000 0.00419 0.00000 0.00000 0.00000
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198 8PX -0.00936 0.00000 -0.00876 -0.14365 -0.10077
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199 8PY -0.01055 0.00000 0.03317 0.05031 0.01439
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200 8PZ 0.00000 -0.02166 0.00000 0.00000 0.00000
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|
201 9PX 0.14801 0.00000 -0.23535 -0.83409 -0.59466
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202 9PY -0.02581 0.00000 -0.06814 0.10554 0.08655
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203 9PZ 0.00000 0.02625 0.00000 0.00000 0.00000
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204 10D 0 -0.00001 0.00000 0.00064 0.00126 -0.00060
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205 10D+1 0.00000 -0.00042 0.00000 0.00000 0.00000
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206 10D-1 0.00000 0.00088 0.00000 0.00000 0.00000
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207 10D+2 -0.00065 0.00000 0.00103 0.00185 0.00022
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|
208 10D-2 -0.00039 0.00000 0.00023 -0.00065 -0.00062
|
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209 11D 0 -0.00033 0.00000 -0.00330 -0.00608 0.00227
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210 11D+1 0.00000 0.00181 0.00000 0.00000 0.00000
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|
211 11D-1 0.00000 -0.00384 0.00000 0.00000 0.00000
|
|
212 11D+2 0.00399 0.00000 -0.00428 -0.00674 -0.00100
|
|
213 11D-2 0.00171 0.00000 -0.00217 0.00250 0.00287
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|
214 12D 0 -0.00452 0.00000 0.00681 -0.03573 -0.05450
|
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215 12D+1 0.00000 0.00694 0.00000 0.00000 0.00000
|
|
216 12D-1 0.00000 0.01040 0.00000 0.00000 0.00000
|
|
217 12D+2 0.00326 0.00000 0.02052 0.09409 0.08207
|
|
218 12D-2 0.00468 0.00000 0.00229 -0.02308 -0.03270
|
|
219 13F 0 0.00000 0.00010 0.00000 0.00000 0.00000
|
|
220 13F+1 0.00004 0.00000 0.00041 0.00004 -0.00054
|
|
221 13F-1 -0.00010 0.00000 -0.00031 -0.00086 0.00043
|
|
222 13F+2 0.00000 0.00041 0.00000 0.00000 0.00000
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|
223 13F-2 0.00000 0.00004 0.00000 0.00000 0.00000
|
|
224 13F+3 0.00012 0.00000 -0.00006 -0.00021 0.00025
|
|
225 13F-3 0.00004 0.00000 0.00009 0.00028 -0.00036
|
|
226 14F 0 0.00000 0.00077 0.00000 0.00000 0.00000
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|
227 14F+1 0.00093 0.00000 -0.00125 0.00585 0.00727
|
|
228 14F-1 0.00033 0.00000 0.00139 0.00357 -0.00324
|
|
229 14F+2 0.00000 -0.00373 0.00000 0.00000 0.00000
|
|
230 14F-2 0.00000 -0.00084 0.00000 0.00000 0.00000
|
|
231 14F+3 -0.00315 0.00000 0.00021 -0.00586 -0.00842
|
|
232 14F-3 -0.00021 0.00000 0.00038 -0.00091 0.00665
|
|
233 15G 0 -0.00002 0.00000 0.00013 0.00027 0.00019
|
|
234 15G+1 0.00000 -0.00011 0.00000 0.00000 0.00000
|
|
235 15G-1 0.00000 -0.00007 0.00000 0.00000 0.00000
|
|
236 15G+2 -0.00004 0.00000 -0.00021 -0.00054 -0.00025
|
|
237 15G-2 0.00009 0.00000 0.00000 0.00009 0.00021
|
|
238 15G+3 0.00000 0.00014 0.00000 0.00000 0.00000
|
|
239 15G-3 0.00000 0.00017 0.00000 0.00000 0.00000
|
|
240 15G+4 0.00016 0.00000 0.00008 0.00068 0.00056
|
|
241 15G-4 -0.00015 0.00000 -0.00009 -0.00007 -0.00061
|
|
242 4 H 1S 0.00280 0.00000 -0.00005 0.00443 0.01289
|
|
243 2S -0.06427 0.00000 -0.01202 -0.01542 -0.05602
|
|
244 3S 1.32002 0.00000 0.15374 0.33877 0.99421
|
|
245 4S 7.53364 0.00000 0.97016 2.01423 6.39763
|
|
246 5S -4.15080 0.00000 0.12437 -0.47478 1.76904
|
|
247 6PX 0.00105 0.00000 0.00191 0.00061 -0.00116
|
|
248 6PY -0.00054 0.00000 -0.00031 -0.00310 -0.00038
|
|
249 6PZ 0.00000 0.00037 0.00000 0.00000 0.00000
|
|
250 7PX -0.00667 0.00000 -0.01199 -0.00695 -0.00389
|
|
251 7PY 0.00460 0.00000 0.00433 0.01108 0.00620
|
|
252 7PZ 0.00000 -0.00049 0.00000 0.00000 0.00000
|
|
253 8PX 0.49709 0.00000 0.11190 0.14077 0.29268
|
|
254 8PY -0.17048 0.00000 -0.03316 -0.05260 -0.14080
|
|
255 8PZ 0.00000 0.02555 0.00000 0.00000 0.00000
|
|
256 9PX 1.91034 0.00000 0.17874 0.51226 1.53874
|
|
257 9PY -0.78570 0.00000 -0.15595 -0.04959 -0.96262
|
|
258 9PZ 0.00000 0.12368 0.00000 0.00000 0.00000
|
|
259 10D 0 -0.00021 0.00000 0.00057 0.00176 -0.00053
|
|
260 10D+1 0.00000 0.00051 0.00000 0.00000 0.00000
|
|
261 10D-1 0.00000 0.00187 0.00000 0.00000 0.00000
|
|
262 10D+2 -0.00200 0.00000 -0.00073 -0.00070 -0.00319
|
|
263 10D-2 0.00122 0.00000 0.00023 -0.00209 0.00165
|
|
264 11D 0 -0.01548 0.00000 -0.00498 -0.01126 -0.00676
|
|
265 11D+1 0.00000 0.00139 0.00000 0.00000 0.00000
|
|
266 11D-1 0.00000 -0.00998 0.00000 0.00000 0.00000
|
|
267 11D+2 0.03192 0.00000 0.00698 0.01152 0.02707
|
|
268 11D-2 -0.02271 0.00000 -0.00068 0.00917 -0.01876
|
|
269 12D 0 -0.13115 0.00000 -0.02608 -0.02410 -0.13006
|
|
270 12D+1 0.00000 0.05281 0.00000 0.00000 0.00000
|
|
271 12D-1 0.00000 0.01598 0.00000 0.00000 0.00000
|
|
272 12D+2 0.13141 0.00000 0.02613 0.07549 0.04590
|
|
273 12D-2 -0.14349 0.00000 -0.03833 -0.00465 -0.17628
|
|
274 13F 0 0.00000 0.00033 0.00000 0.00000 0.00000
|
|
275 13F+1 -0.00165 0.00000 -0.00029 -0.00009 -0.00038
|
|
276 13F-1 0.00064 0.00000 0.00009 0.00082 0.00008
|
|
277 13F+2 0.00000 -0.00037 0.00000 0.00000 0.00000
|
|
278 13F-2 0.00000 -0.00038 0.00000 0.00000 0.00000
|
|
279 13F+3 0.00161 0.00000 0.00065 0.00018 0.00158
|
|
280 13F-3 -0.00170 0.00000 0.00009 -0.00107 -0.00074
|
|
281 14F 0 0.00000 -0.00735 0.00000 0.00000 0.00000
|
|
282 14F+1 -0.00889 0.00000 -0.00336 -0.00683 -0.01379
|
|
283 14F-1 0.00532 0.00000 0.00139 -0.00489 0.00935
|
|
284 14F+2 0.00000 0.00848 0.00000 0.00000 0.00000
|
|
285 14F-2 0.00000 -0.00070 0.00000 0.00000 0.00000
|
|
286 14F+3 0.00188 0.00000 0.00079 0.01515 -0.00724
|
|
287 14F-3 -0.01480 0.00000 -0.00420 0.00899 -0.02397
|
|
288 15G 0 0.00040 0.00000 0.00011 0.00011 0.00061
|
|
289 15G+1 0.00000 -0.00041 0.00000 0.00000 0.00000
|
|
290 15G-1 0.00000 0.00023 0.00000 0.00000 0.00000
|
|
291 15G+2 -0.00034 0.00000 -0.00013 -0.00036 -0.00063
|
|
292 15G-2 0.00065 0.00000 0.00019 -0.00009 0.00079
|
|
293 15G+3 0.00000 0.00039 0.00000 0.00000 0.00000
|
|
294 15G-3 0.00000 0.00005 0.00000 0.00000 0.00000
|
|
295 15G+4 -0.00016 0.00000 0.00001 0.00126 -0.00085
|
|
296 15G-4 -0.00090 0.00000 -0.00029 -0.00002 -0.00163
|
|
297 5 H 1S -0.00243 0.00254 -0.00160 0.00419 -0.00802
|
|
298 2S 0.03660 -0.06088 0.02737 -0.00595 0.02419
|
|
299 3S -0.67196 1.25732 -0.12764 0.08702 -0.45537
|
|
300 4S -3.81554 6.76461 -0.94734 -0.23697 -3.67695
|
|
301 5S 1.78678 -3.75665 -1.64205 1.33296 -0.43894
|
|
302 6PX -0.00062 -0.00090 0.00000 0.00044 0.00262
|
|
303 6PY 0.00102 -0.00078 0.00030 -0.00247 0.00109
|
|
304 6PZ 0.00003 -0.00056 -0.00209 0.00060 -0.00084
|
|
305 7PX 0.00172 0.00522 -0.00007 -0.00017 -0.01059
|
|
306 7PY -0.00460 0.00456 -0.00035 0.01019 -0.00779
|
|
307 7PZ -0.00094 0.00505 0.00406 0.00136 -0.00295
|
|
308 8PX 0.07079 -0.23997 -0.00165 -0.00710 0.09236
|
|
309 8PY 0.11751 -0.20340 0.02624 -0.02917 0.07151
|
|
310 8PZ 0.20886 -0.39265 -0.00324 -0.01169 0.13498
|
|
311 9PX 0.37489 -0.85767 0.11535 -0.01722 0.40591
|
|
312 9PY 0.47258 -0.81129 0.21094 0.16493 0.45372
|
|
313 9PZ 0.86681 -1.47627 0.31913 0.03224 0.72008
|
|
314 10D 0 0.00050 -0.00137 0.00122 -0.00086 0.00222
|
|
315 10D+1 0.00049 -0.00065 0.00003 -0.00168 0.00001
|
|
316 10D-1 0.00142 -0.00077 0.00032 0.00091 0.00093
|
|
317 10D+2 0.00060 -0.00093 0.00024 0.00115 -0.00028
|
|
318 10D-2 -0.00103 -0.00170 -0.00030 0.00021 -0.00185
|
|
319 11D 0 -0.01250 0.01930 -0.00537 0.00560 -0.01767
|
|
320 11D+1 -0.00978 0.02258 0.00092 0.00940 -0.00440
|
|
321 11D-1 -0.01666 0.02063 -0.00269 -0.00517 -0.00744
|
|
322 11D+2 -0.00182 0.00577 0.00008 -0.00346 0.00112
|
|
323 11D-2 0.00112 0.01771 0.00117 -0.00104 0.00773
|
|
324 12D 0 -0.07541 0.07072 -0.01445 0.01503 -0.04685
|
|
325 12D+1 -0.03942 0.14993 -0.00906 0.00781 -0.06127
|
|
326 12D-1 -0.06491 0.13556 -0.04706 -0.01975 -0.06313
|
|
327 12D+2 0.03584 -0.00405 0.02183 0.03485 0.00752
|
|
328 12D-2 -0.04364 0.06725 -0.01834 -0.01379 -0.04855
|
|
329 13F 0 -0.00015 -0.00050 -0.00018 0.00018 -0.00010
|
|
330 13F+1 0.00076 -0.00150 -0.00010 0.00031 0.00061
|
|
331 13F-1 0.00128 -0.00142 -0.00036 -0.00039 0.00029
|
|
332 13F+2 0.00026 -0.00026 0.00013 0.00036 0.00055
|
|
333 13F-2 0.00077 -0.00151 -0.00014 -0.00091 0.00060
|
|
334 13F+3 0.00013 0.00010 0.00025 0.00022 0.00036
|
|
335 13F-3 0.00013 -0.00051 0.00032 0.00034 0.00004
|
|
336 14F 0 0.00733 0.00524 0.00250 -0.00637 0.00824
|
|
337 14F+1 0.00320 -0.00837 0.00227 -0.01005 0.00655
|
|
338 14F-1 0.00507 -0.00920 0.00886 0.00377 0.00949
|
|
339 14F+2 -0.00663 -0.00007 -0.00566 -0.00925 -0.00449
|
|
340 14F-2 0.00362 -0.01156 0.00349 0.00594 0.00186
|
|
341 14F+3 -0.00370 0.00276 -0.00336 -0.00446 -0.00218
|
|
342 14F-3 -0.00116 -0.00146 -0.00233 -0.00184 -0.00138
|
|
343 15G 0 -0.00020 -0.00053 0.00015 0.00030 -0.00005
|
|
344 15G+1 -0.00025 0.00010 -0.00035 0.00069 -0.00059
|
|
345 15G-1 -0.00029 0.00033 -0.00053 0.00021 -0.00076
|
|
346 15G+2 0.00026 -0.00006 0.00036 0.00068 0.00023
|
|
347 15G-2 -0.00051 0.00086 -0.00032 0.00017 -0.00061
|
|
348 15G+3 0.00032 -0.00031 0.00034 0.00053 0.00010
|
|
349 15G-3 0.00006 0.00029 0.00008 0.00022 0.00008
|
|
350 15G+4 0.00009 0.00003 0.00007 0.00014 -0.00002
|
|
351 15G-4 -0.00005 -0.00011 0.00005 0.00016 -0.00002
|
|
352 6 H 1S -0.00243 -0.00254 -0.00160 0.00419 -0.00802
|
|
353 2S 0.03660 0.06088 0.02737 -0.00595 0.02419
|
|
354 3S -0.67196 -1.25732 -0.12764 0.08702 -0.45537
|
|
355 4S -3.81554 -6.76461 -0.94734 -0.23697 -3.67695
|
|
356 5S 1.78678 3.75665 -1.64205 1.33296 -0.43894
|
|
357 6PX -0.00062 0.00090 0.00000 0.00044 0.00262
|
|
358 6PY 0.00102 0.00078 0.00030 -0.00247 0.00109
|
|
359 6PZ -0.00003 -0.00056 0.00209 -0.00060 0.00084
|
|
360 7PX 0.00172 -0.00522 -0.00007 -0.00017 -0.01059
|
|
361 7PY -0.00460 -0.00456 -0.00035 0.01019 -0.00779
|
|
362 7PZ 0.00094 0.00505 -0.00406 -0.00136 0.00295
|
|
363 8PX 0.07079 0.23997 -0.00165 -0.00710 0.09236
|
|
364 8PY 0.11751 0.20340 0.02624 -0.02917 0.07151
|
|
365 8PZ -0.20886 -0.39265 0.00324 0.01169 -0.13498
|
|
366 9PX 0.37489 0.85767 0.11535 -0.01722 0.40591
|
|
367 9PY 0.47258 0.81129 0.21094 0.16493 0.45372
|
|
368 9PZ -0.86681 -1.47627 -0.31913 -0.03224 -0.72008
|
|
369 10D 0 0.00050 0.00137 0.00122 -0.00086 0.00222
|
|
370 10D+1 -0.00049 -0.00065 -0.00003 0.00168 -0.00001
|
|
371 10D-1 -0.00142 -0.00077 -0.00032 -0.00091 -0.00093
|
|
372 10D+2 0.00060 0.00093 0.00024 0.00115 -0.00028
|
|
373 10D-2 -0.00103 0.00170 -0.00030 0.00021 -0.00185
|
|
374 11D 0 -0.01250 -0.01930 -0.00537 0.00560 -0.01767
|
|
375 11D+1 0.00978 0.02258 -0.00092 -0.00940 0.00440
|
|
376 11D-1 0.01666 0.02063 0.00269 0.00517 0.00744
|
|
377 11D+2 -0.00182 -0.00577 0.00008 -0.00346 0.00112
|
|
378 11D-2 0.00112 -0.01771 0.00117 -0.00104 0.00773
|
|
379 12D 0 -0.07541 -0.07072 -0.01445 0.01503 -0.04685
|
|
380 12D+1 0.03942 0.14993 0.00906 -0.00781 0.06127
|
|
381 12D-1 0.06491 0.13556 0.04706 0.01975 0.06313
|
|
382 12D+2 0.03584 0.00405 0.02183 0.03485 0.00752
|
|
383 12D-2 -0.04364 -0.06725 -0.01834 -0.01379 -0.04855
|
|
384 13F 0 0.00015 -0.00050 0.00018 -0.00018 0.00010
|
|
385 13F+1 0.00076 0.00150 -0.00010 0.00031 0.00061
|
|
386 13F-1 0.00128 0.00142 -0.00036 -0.00039 0.00029
|
|
387 13F+2 -0.00026 -0.00026 -0.00013 -0.00036 -0.00055
|
|
388 13F-2 -0.00077 -0.00151 0.00014 0.00091 -0.00060
|
|
389 13F+3 0.00013 -0.00010 0.00025 0.00022 0.00036
|
|
390 13F-3 0.00013 0.00051 0.00032 0.00034 0.00004
|
|
391 14F 0 -0.00733 0.00524 -0.00250 0.00637 -0.00824
|
|
392 14F+1 0.00320 0.00837 0.00227 -0.01005 0.00655
|
|
393 14F-1 0.00507 0.00920 0.00886 0.00377 0.00949
|
|
394 14F+2 0.00663 -0.00007 0.00566 0.00925 0.00449
|
|
395 14F-2 -0.00362 -0.01156 -0.00349 -0.00594 -0.00186
|
|
396 14F+3 -0.00370 -0.00276 -0.00336 -0.00446 -0.00218
|
|
397 14F-3 -0.00116 0.00146 -0.00233 -0.00184 -0.00138
|
|
398 15G 0 -0.00020 0.00053 0.00015 0.00030 -0.00005
|
|
399 15G+1 0.00025 0.00010 0.00035 -0.00069 0.00059
|
|
400 15G-1 0.00029 0.00033 0.00053 -0.00021 0.00076
|
|
401 15G+2 0.00026 0.00006 0.00036 0.00068 0.00023
|
|
402 15G-2 -0.00051 -0.00086 -0.00032 0.00017 -0.00061
|
|
403 15G+3 -0.00032 -0.00031 -0.00034 -0.00053 -0.00010
|
|
404 15G-3 -0.00006 0.00029 -0.00008 -0.00022 -0.00008
|
|
405 15G+4 0.00009 -0.00003 0.00007 0.00014 -0.00002
|
|
406 15G-4 -0.00005 0.00011 0.00005 0.00016 -0.00002
|
|
21 22 23 24 25
|
|
V V V V V
|
|
Eigenvalues -- 0.22014 0.24074 0.27634 0.30343 0.35386
|
|
1 1 C 1S 0.00000 -0.00338 0.00000 0.02863 0.02997
|
|
2 2S 0.00000 0.00137 0.00000 -0.05700 -0.04694
|
|
3 3S 0.00000 -0.02407 0.00000 -0.01282 0.04564
|
|
4 4S 0.00000 -0.10806 0.00000 -0.81196 -0.79109
|
|
5 5S 0.00000 1.81165 0.00000 4.83246 2.73594
|
|
6 6S 0.00000 3.48980 0.00000 8.26227 7.75873
|
|
7 7PX 0.00000 -0.00430 0.00000 0.00097 -0.01183
|
|
8 7PY 0.00000 0.00035 0.00000 0.05278 0.01055
|
|
9 7PZ -0.00123 0.00000 0.00274 0.00000 0.00000
|
|
10 8PX 0.00000 0.03589 0.00000 -0.01475 -0.02124
|
|
11 8PY 0.00000 -0.03241 0.00000 0.06511 0.07003
|
|
12 8PZ 0.08684 0.00000 -0.00413 0.00000 0.00000
|
|
13 9PX 0.00000 -0.78813 0.00000 -0.00549 0.30129
|
|
14 9PY 0.00000 0.27592 0.00000 0.68259 0.07976
|
|
15 9PZ -1.33702 0.00000 0.44075 0.00000 0.00000
|
|
16 10PX 0.00000 -1.48373 0.00000 1.07815 -0.48721
|
|
17 10PY 0.00000 0.56345 0.00000 -0.58644 -3.94739
|
|
18 10PZ -5.34978 0.00000 -0.97689 0.00000 0.00000
|
|
19 11PX 0.00000 -2.13729 0.00000 0.49735 1.23228
|
|
20 11PY 0.00000 0.69508 0.00000 -0.73311 -2.83520
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280 13F-3 0.00000 0.00006 0.00000 0.00081 0.00137
|
|
281 14F 0 -0.00955 0.00000 0.00287 0.00000 0.00000
|
|
282 14F+1 0.00000 0.01672 0.00000 0.00611 -0.00414
|
|
283 14F-1 0.00000 -0.00051 0.00000 -0.01026 0.01001
|
|
284 14F+2 0.01090 0.00000 -0.00085 0.00000 0.00000
|
|
285 14F-2 -0.00760 0.00000 0.00009 0.00000 0.00000
|
|
286 14F+3 0.00000 -0.03051 0.00000 0.00206 -0.00557
|
|
287 14F-3 0.00000 0.00512 0.00000 0.01317 -0.01813
|
|
288 15G 0 0.00000 -0.00081 0.00000 -0.00049 0.00044
|
|
289 15G+1 -0.00078 0.00000 0.00018 0.00000 0.00000
|
|
290 15G-1 0.00046 0.00000 -0.00005 0.00000 0.00000
|
|
291 15G+2 0.00000 0.00138 0.00000 0.00046 -0.00016
|
|
292 15G-2 0.00000 -0.00008 0.00000 -0.00060 0.00067
|
|
293 15G+3 0.00007 0.00000 -0.00007 0.00000 0.00000
|
|
294 15G-3 -0.00068 0.00000 -0.00002 0.00000 0.00000
|
|
295 15G+4 0.00000 -0.00192 0.00000 0.00067 -0.00050
|
|
296 15G-4 0.00000 0.00094 0.00000 0.00080 -0.00098
|
|
297 5 H 1S 0.01337 0.00202 0.00156 -0.00324 0.00530
|
|
298 2S -0.07255 -0.00999 0.04044 0.02888 0.04387
|
|
299 3S 1.02415 0.01899 -0.18209 -1.01208 -0.31558
|
|
300 4S 6.94477 0.21730 0.51484 -2.83704 -0.48597
|
|
301 5S 2.13940 0.79169 -0.86896 -0.57257 -0.31478
|
|
302 6PX 0.00097 -0.00061 0.00081 0.00107 -0.00019
|
|
303 6PY -0.00035 0.00058 -0.00053 0.00002 0.00118
|
|
304 6PZ -0.00110 0.00052 0.00126 -0.00002 0.00148
|
|
305 7PX 0.00495 -0.00094 -0.00785 -0.00846 0.00195
|
|
306 7PY 0.01012 0.00333 -0.00096 0.00180 -0.00642
|
|
307 7PZ 0.01503 -0.00017 -0.01311 -0.00607 -0.00903
|
|
308 8PX -0.16054 0.02509 0.04603 0.17445 0.03586
|
|
309 8PY -0.18922 -0.04677 0.03148 0.11674 0.11915
|
|
310 8PZ -0.30579 -0.00710 0.09988 0.29332 0.13629
|
|
311 9PX -0.81399 0.19859 0.15251 0.41196 -0.00999
|
|
312 9PY -1.12868 -0.30247 -0.23638 0.39345 0.49563
|
|
313 9PZ -1.49886 -0.15381 0.12539 0.65566 0.28349
|
|
314 10D 0 -0.00113 -0.00103 0.00075 0.00175 0.00076
|
|
315 10D+1 -0.00195 0.00126 0.00041 0.00054 0.00023
|
|
316 10D-1 -0.00157 -0.00193 0.00212 0.00097 0.00068
|
|
317 10D+2 -0.00162 -0.00098 -0.00066 0.00072 0.00123
|
|
318 10D-2 -0.00269 -0.00050 0.00152 0.00055 0.00055
|
|
319 11D 0 0.01190 0.00424 -0.00393 -0.02081 -0.00560
|
|
320 11D+1 0.02050 -0.00771 -0.00157 -0.01587 -0.00539
|
|
321 11D-1 0.01795 0.01134 -0.01054 -0.01740 -0.00822
|
|
322 11D+2 0.00790 0.00211 0.00484 -0.00405 -0.00509
|
|
323 11D-2 0.01816 0.00263 -0.00682 -0.00945 -0.00485
|
|
324 12D 0 0.06417 0.01021 -0.05397 -0.04891 -0.01620
|
|
325 12D+1 0.13989 -0.03597 -0.06263 -0.09076 -0.00947
|
|
326 12D-1 0.20454 0.07724 -0.01968 -0.04634 -0.11785
|
|
327 12D+2 -0.06174 -0.09718 -0.03958 -0.00492 0.08407
|
|
328 12D-2 0.10029 0.01435 -0.00521 -0.01951 -0.05207
|
|
329 13F 0 -0.00098 0.00026 0.00012 0.00026 0.00003
|
|
330 13F+1 -0.00079 -0.00014 -0.00001 0.00119 0.00118
|
|
331 13F-1 -0.00072 0.00029 -0.00031 0.00118 0.00007
|
|
332 13F+2 -0.00090 -0.00078 -0.00033 0.00002 0.00032
|
|
333 13F-2 -0.00030 0.00013 -0.00057 0.00116 -0.00029
|
|
334 13F+3 -0.00033 -0.00036 -0.00004 -0.00089 0.00051
|
|
335 13F-3 -0.00038 -0.00073 0.00007 0.00026 0.00073
|
|
336 14F 0 0.01228 -0.00199 0.00174 0.00398 -0.00371
|
|
337 14F+1 -0.01217 0.00686 0.00824 0.00827 -0.00213
|
|
338 14F-1 -0.01852 -0.01369 0.00854 0.00447 0.01118
|
|
339 14F+2 0.01089 0.02136 0.00345 0.00306 -0.01217
|
|
340 14F-2 -0.02631 -0.00364 0.00844 0.00299 0.01150
|
|
341 14F+3 0.01174 0.00833 -0.00017 0.00373 -0.00928
|
|
342 14F-3 -0.00300 0.00789 0.00216 0.00142 -0.00438
|
|
343 15G 0 -0.00116 -0.00008 0.00024 0.00003 0.00076
|
|
344 15G+1 0.00030 -0.00018 -0.00049 -0.00057 -0.00020
|
|
345 15G-1 0.00057 0.00055 -0.00038 -0.00028 -0.00017
|
|
346 15G+2 -0.00055 -0.00138 -0.00023 -0.00016 0.00092
|
|
347 15G-2 0.00188 0.00016 -0.00051 -0.00032 -0.00060
|
|
348 15G+3 -0.00142 -0.00084 0.00012 -0.00003 0.00084
|
|
349 15G-3 0.00070 -0.00072 -0.00034 -0.00016 0.00035
|
|
350 15G+4 -0.00060 0.00002 0.00012 0.00022 0.00018
|
|
351 15G-4 -0.00021 -0.00033 -0.00007 -0.00005 0.00033
|
|
352 6 H 1S -0.01337 0.00202 -0.00156 -0.00324 0.00530
|
|
353 2S 0.07255 -0.00999 -0.04044 0.02888 0.04387
|
|
354 3S -1.02415 0.01899 0.18209 -1.01208 -0.31558
|
|
355 4S -6.94477 0.21730 -0.51484 -2.83704 -0.48597
|
|
356 5S -2.13940 0.79169 0.86896 -0.57257 -0.31478
|
|
357 6PX -0.00097 -0.00061 -0.00081 0.00107 -0.00019
|
|
358 6PY 0.00035 0.00058 0.00053 0.00002 0.00118
|
|
359 6PZ -0.00110 -0.00052 0.00126 0.00002 -0.00148
|
|
360 7PX -0.00495 -0.00094 0.00785 -0.00846 0.00195
|
|
361 7PY -0.01012 0.00333 0.00096 0.00180 -0.00642
|
|
362 7PZ 0.01503 0.00017 -0.01311 0.00607 0.00903
|
|
363 8PX 0.16054 0.02509 -0.04603 0.17445 0.03586
|
|
364 8PY 0.18922 -0.04677 -0.03148 0.11674 0.11915
|
|
365 8PZ -0.30579 0.00710 0.09988 -0.29332 -0.13629
|
|
366 9PX 0.81399 0.19859 -0.15251 0.41196 -0.00999
|
|
367 9PY 1.12868 -0.30247 0.23638 0.39345 0.49563
|
|
368 9PZ -1.49886 0.15381 0.12539 -0.65566 -0.28349
|
|
369 10D 0 0.00113 -0.00103 -0.00075 0.00175 0.00076
|
|
370 10D+1 -0.00195 -0.00126 0.00041 -0.00054 -0.00023
|
|
371 10D-1 -0.00157 0.00193 0.00212 -0.00097 -0.00068
|
|
372 10D+2 0.00162 -0.00098 0.00066 0.00072 0.00123
|
|
373 10D-2 0.00269 -0.00050 -0.00152 0.00055 0.00055
|
|
374 11D 0 -0.01190 0.00424 0.00393 -0.02081 -0.00560
|
|
375 11D+1 0.02050 0.00771 -0.00157 0.01587 0.00539
|
|
376 11D-1 0.01795 -0.01134 -0.01054 0.01740 0.00822
|
|
377 11D+2 -0.00790 0.00211 -0.00484 -0.00405 -0.00509
|
|
378 11D-2 -0.01816 0.00263 0.00682 -0.00945 -0.00485
|
|
379 12D 0 -0.06417 0.01021 0.05397 -0.04891 -0.01620
|
|
380 12D+1 0.13989 0.03597 -0.06263 0.09076 0.00947
|
|
381 12D-1 0.20454 -0.07724 -0.01968 0.04634 0.11785
|
|
382 12D+2 0.06174 -0.09718 0.03958 -0.00492 0.08407
|
|
383 12D-2 -0.10029 0.01435 0.00521 -0.01951 -0.05207
|
|
384 13F 0 -0.00098 -0.00026 0.00012 -0.00026 -0.00003
|
|
385 13F+1 0.00079 -0.00014 0.00001 0.00119 0.00118
|
|
386 13F-1 0.00072 0.00029 0.00031 0.00118 0.00007
|
|
387 13F+2 -0.00090 0.00078 -0.00033 -0.00002 -0.00032
|
|
388 13F-2 -0.00030 -0.00013 -0.00057 -0.00116 0.00029
|
|
389 13F+3 0.00033 -0.00036 0.00004 -0.00089 0.00051
|
|
390 13F-3 0.00038 -0.00073 -0.00007 0.00026 0.00073
|
|
391 14F 0 0.01228 0.00199 0.00174 -0.00398 0.00371
|
|
392 14F+1 0.01217 0.00686 -0.00824 0.00827 -0.00213
|
|
393 14F-1 0.01852 -0.01369 -0.00854 0.00447 0.01118
|
|
394 14F+2 0.01089 -0.02136 0.00345 -0.00306 0.01217
|
|
395 14F-2 -0.02631 0.00364 0.00844 -0.00299 -0.01150
|
|
396 14F+3 -0.01174 0.00833 0.00017 0.00373 -0.00928
|
|
397 14F-3 0.00300 0.00789 -0.00216 0.00142 -0.00438
|
|
398 15G 0 0.00116 -0.00008 -0.00024 0.00003 0.00076
|
|
399 15G+1 0.00030 0.00018 -0.00049 0.00057 0.00020
|
|
400 15G-1 0.00057 -0.00055 -0.00038 0.00028 0.00017
|
|
401 15G+2 0.00055 -0.00138 0.00023 -0.00016 0.00092
|
|
402 15G-2 -0.00188 0.00016 0.00051 -0.00032 -0.00060
|
|
403 15G+3 -0.00142 0.00084 0.00012 0.00003 -0.00084
|
|
404 15G-3 0.00070 0.00072 -0.00034 0.00016 -0.00035
|
|
405 15G+4 0.00060 0.00002 -0.00012 0.00022 0.00018
|
|
406 15G-4 0.00021 -0.00033 0.00007 -0.00005 0.00033
|
|
26 27 28 29 30
|
|
V V V V V
|
|
Eigenvalues -- 0.37612 0.39463 0.40447 0.41604 0.43009
|
|
1 1 C 1S -0.00227 0.00000 -0.01090 0.00000 0.03901
|
|
2 2S -0.03253 0.00000 0.01567 0.00000 -0.08642
|
|
3 3S -0.17436 0.00000 -0.02942 0.00000 -0.05406
|
|
4 4S -0.09555 0.00000 0.39755 0.00000 -1.05113
|
|
5 5S 8.33348 0.00000 -0.66476 0.00000 7.92704
|
|
6 6S 8.77627 0.00000 -2.78360 0.00000 15.86663
|
|
7 7PX 0.00099 0.00000 -0.03503 0.00000 -0.03540
|
|
8 7PY -0.02263 0.00000 0.00587 0.00000 -0.03910
|
|
9 7PZ 0.00000 -0.01287 0.00000 0.06789 0.00000
|
|
10 8PX 0.01294 0.00000 -0.08311 0.00000 0.04444
|
|
11 8PY -0.15637 0.00000 0.01537 0.00000 -0.11580
|
|
12 8PZ 0.00000 0.03079 0.00000 0.00634 0.00000
|
|
13 9PX -0.12384 0.00000 0.04348 0.00000 -1.01098
|
|
14 9PY 0.92784 0.00000 -0.13532 0.00000 0.74696
|
|
15 9PZ 0.00000 -0.49261 0.00000 1.23852 0.00000
|
|
16 10PX -0.18562 0.00000 -1.48857 0.00000 -5.54638
|
|
17 10PY 8.20640 0.00000 1.66228 0.00000 -0.51437
|
|
18 10PZ 0.00000 -1.34480 0.00000 6.47871 0.00000
|
|
19 11PX 0.61580 0.00000 2.77120 0.00000 0.45778
|
|
20 11PY 2.41158 0.00000 0.85267 0.00000 0.19275
|
|
21 11PZ 0.00000 -0.76295 0.00000 -3.26081 0.00000
|
|
22 12D 0 0.00098 0.00000 0.00040 0.00000 -0.00250
|
|
23 12D+1 0.00000 0.00078 0.00000 -0.00041 0.00000
|
|
24 12D-1 0.00000 0.00056 0.00000 -0.00032 0.00000
|
|
25 12D+2 0.00286 0.00000 0.00324 0.00000 -0.00720
|
|
26 12D-2 -0.00079 0.00000 0.00023 0.00000 0.00161
|
|
27 13D 0 -0.00410 0.00000 -0.00466 0.00000 0.03938
|
|
28 13D+1 0.00000 -0.00573 0.00000 -0.02188 0.00000
|
|
29 13D-1 0.00000 0.03263 0.00000 -0.03425 0.00000
|
|
30 13D+2 -0.01792 0.00000 -0.02592 0.00000 0.02663
|
|
31 13D-2 0.00752 0.00000 0.02809 0.00000 -0.00517
|
|
32 14D 0 0.26659 0.00000 0.28327 0.00000 -0.31845
|
|
33 14D+1 0.00000 -0.08867 0.00000 0.34705 0.00000
|
|
34 14D-1 0.00000 -0.56798 0.00000 0.53740 0.00000
|
|
35 14D+2 0.65215 0.00000 0.03121 0.00000 0.56442
|
|
36 14D-2 -0.01839 0.00000 -0.22274 0.00000 -0.14024
|
|
37 15D 0 1.44539 0.00000 0.84528 0.00000 -1.16816
|
|
38 15D+1 0.00000 -0.45892 0.00000 0.63845 0.00000
|
|
39 15D-1 0.00000 -0.85924 0.00000 0.74980 0.00000
|
|
40 15D+2 2.30561 0.00000 0.18266 0.00000 0.87333
|
|
41 15D-2 0.10123 0.00000 0.04206 0.00000 -0.45666
|
|
42 16F 0 0.00000 -0.00397 0.00000 -0.00232 0.00000
|
|
43 16F+1 -0.00280 0.00000 -0.00002 0.00000 -0.00580
|
|
44 16F-1 0.00163 0.00000 0.00434 0.00000 0.00004
|
|
45 16F+2 0.00000 -0.00658 0.00000 -0.00201 0.00000
|
|
46 16F-2 0.00000 0.00415 0.00000 -0.00648 0.00000
|
|
47 16F+3 0.00138 0.00000 -0.00173 0.00000 0.00680
|
|
48 16F-3 0.00115 0.00000 0.00195 0.00000 -0.00556
|
|
49 17F 0 0.00000 0.03686 0.00000 0.01617 0.00000
|
|
50 17F+1 0.11701 0.00000 0.00282 0.00000 0.11901
|
|
51 17F-1 0.03364 0.00000 -0.02356 0.00000 0.02132
|
|
52 17F+2 0.00000 0.06324 0.00000 0.01294 0.00000
|
|
53 17F-2 0.00000 -0.05670 0.00000 0.05926 0.00000
|
|
54 17F+3 -0.04245 0.00000 0.03661 0.00000 -0.09817
|
|
55 17F-3 0.04483 0.00000 -0.01434 0.00000 0.08011
|
|
56 18F 0 0.00000 0.11412 0.00000 0.00483 0.00000
|
|
57 18F+1 0.30713 0.00000 -0.02825 0.00000 0.43699
|
|
58 18F-1 0.01132 0.00000 -0.07711 0.00000 0.20875
|
|
59 18F+2 0.00000 0.15516 0.00000 -0.02390 0.00000
|
|
60 18F-2 0.00000 -0.34099 0.00000 0.05489 0.00000
|
|
61 18F+3 -0.13954 0.00000 0.29091 0.00000 -0.25150
|
|
62 18F-3 0.08877 0.00000 -0.10687 0.00000 0.39119
|
|
63 19G 0 -0.00014 0.00000 0.00147 0.00000 -0.00284
|
|
64 19G+1 0.00000 -0.00148 0.00000 -0.00154 0.00000
|
|
65 19G-1 0.00000 -0.00023 0.00000 -0.00193 0.00000
|
|
66 19G+2 -0.00070 0.00000 0.00353 0.00000 -0.00382
|
|
67 19G-2 0.00345 0.00000 0.00224 0.00000 0.00208
|
|
68 19G+3 0.00000 0.00329 0.00000 -0.00180 0.00000
|
|
69 19G-3 0.00000 0.00067 0.00000 -0.00177 0.00000
|
|
70 19G+4 0.00014 0.00000 -0.00130 0.00000 -0.00348
|
|
71 19G-4 -0.00191 0.00000 0.00333 0.00000 -0.00077
|
|
72 20G 0 -0.00572 0.00000 0.01509 0.00000 0.03119
|
|
73 20G+1 0.00000 0.02742 0.00000 0.06880 0.00000
|
|
74 20G-1 0.00000 -0.03027 0.00000 0.05750 0.00000
|
|
75 20G+2 -0.01589 0.00000 0.01500 0.00000 -0.03861
|
|
76 20G-2 0.06263 0.00000 -0.03583 0.00000 0.06149
|
|
77 20G+3 0.00000 0.05865 0.00000 -0.01701 0.00000
|
|
78 20G-3 0.00000 -0.01381 0.00000 0.04082 0.00000
|
|
79 20G+4 -0.01236 0.00000 -0.01305 0.00000 0.06854
|
|
80 20G-4 -0.02432 0.00000 -0.01319 0.00000 -0.06318
|
|
81 21H 0 0.00000 0.00199 0.00000 -0.00223 0.00000
|
|
82 21H+1 -0.00049 0.00000 0.00635 0.00000 -0.00812
|
|
83 21H-1 0.00219 0.00000 0.00472 0.00000 -0.00149
|
|
84 21H+2 0.00000 0.01251 0.00000 -0.00131 0.00000
|
|
85 21H-2 0.00000 -0.00508 0.00000 0.01040 0.00000
|
|
86 21H+3 0.00100 0.00000 0.00391 0.00000 -0.00049
|
|
87 21H-3 0.00302 0.00000 -0.00205 0.00000 -0.00371
|
|
88 21H+4 0.00000 0.00469 0.00000 -0.00073 0.00000
|
|
89 21H-4 0.00000 0.00370 0.00000 -0.00210 0.00000
|
|
90 21H+5 0.00007 0.00000 0.00366 0.00000 -0.00495
|
|
91 21H-5 0.00520 0.00000 0.00197 0.00000 0.00318
|
|
92 2 S 1S -0.03158 0.00000 -0.00176 0.00000 0.00626
|
|
93 2S 0.05093 0.00000 0.00452 0.00000 -0.01325
|
|
94 3S -0.13065 0.00000 -0.00032 0.00000 0.01466
|
|
95 4S 0.25975 0.00000 0.08949 0.00000 -0.13659
|
|
96 5S -1.39413 0.00000 -0.69469 0.00000 0.78845
|
|
97 6S 1.02967 0.00000 1.14932 0.00000 -0.83189
|
|
98 7S 11.71862 0.00000 4.54642 0.00000 -7.18074
|
|
99 8PX 0.01671 0.00000 -0.02557 0.00000 -0.01451
|
|
100 8PY 0.01136 0.00000 -0.00465 0.00000 0.01769
|
|
101 8PZ 0.00000 -0.01336 0.00000 0.00643 0.00000
|
|
102 9PX -0.04699 0.00000 0.05414 0.00000 0.03917
|
|
103 9PY -0.01094 0.00000 0.01586 0.00000 -0.04241
|
|
104 9PZ 0.00000 0.03097 0.00000 -0.01869 0.00000
|
|
105 10PX -0.08362 0.00000 0.01324 0.00000 0.05185
|
|
106 10PY 0.06438 0.00000 0.03859 0.00000 -0.04277
|
|
107 10PZ 0.00000 0.02262 0.00000 -0.02996 0.00000
|
|
108 11PX -0.01141 0.00000 0.06352 0.00000 0.05925
|
|
109 11PY -0.68180 0.00000 -0.22518 0.00000 0.13520
|
|
110 11PZ 0.00000 0.05830 0.00000 0.05634 0.00000
|
|
111 12PX 2.43580 0.00000 2.27924 0.00000 -1.02903
|
|
112 12PY 4.18766 0.00000 1.79245 0.00000 -2.54153
|
|
113 12PZ 0.00000 0.24455 0.00000 -0.38761 0.00000
|
|
114 13PX 1.73864 0.00000 -0.52836 0.00000 -1.43870
|
|
115 13PY 1.54877 0.00000 1.19980 0.00000 -0.67353
|
|
116 13PZ 0.00000 0.16436 0.00000 0.66841 0.00000
|
|
117 14D 0 -1.84331 0.00000 -0.63291 0.00000 1.00978
|
|
118 14D+1 0.00000 -0.30431 0.00000 -0.22332 0.00000
|
|
119 14D-1 0.00000 -0.40747 0.00000 0.09336 0.00000
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371 10D-1 -0.00149 0.00112 -0.00136 -0.00117 0.00130
|
|
372 10D+2 -0.00200 0.00139 -0.00104 -0.00045 0.00092
|
|
373 10D-2 0.00086 0.00023 0.00228 -0.00033 -0.00001
|
|
374 11D 0 -0.01481 -0.01894 0.00315 0.01617 -0.02489
|
|
375 11D+1 0.02255 0.02443 -0.00331 -0.01462 0.01701
|
|
376 11D-1 0.01857 -0.00425 0.00770 -0.00918 -0.00271
|
|
377 11D+2 0.00897 -0.01275 0.00708 0.00370 -0.00674
|
|
378 11D-2 -0.00971 -0.00281 -0.01159 0.00959 -0.00133
|
|
379 12D 0 -0.18805 -0.13907 0.14253 0.04314 -0.07645
|
|
380 12D+1 0.15823 0.10896 0.01759 -0.16351 0.09738
|
|
381 12D-1 0.12881 -0.13953 0.08691 -0.07466 0.07931
|
|
382 12D+2 -0.05366 -0.12922 -0.00081 0.05586 -0.00751
|
|
383 12D-2 -0.06474 0.06915 -0.03627 0.04192 -0.02439
|
|
384 13F 0 0.00045 0.00025 -0.00110 0.00014 -0.00007
|
|
385 13F+1 0.00072 -0.00009 0.00016 -0.00141 0.00034
|
|
386 13F-1 0.00072 0.00076 -0.00164 -0.00160 -0.00002
|
|
387 13F+2 0.00039 0.00128 -0.00028 -0.00044 0.00011
|
|
388 13F-2 -0.00064 -0.00136 -0.00028 0.00169 0.00002
|
|
389 13F+3 -0.00040 0.00053 0.00033 0.00094 -0.00027
|
|
390 13F-3 -0.00011 -0.00066 -0.00018 -0.00088 0.00076
|
|
391 14F 0 -0.01307 -0.02194 0.02971 -0.00262 -0.01219
|
|
392 14F+1 0.02285 0.02498 -0.00800 -0.00583 0.02179
|
|
393 14F-1 0.02067 -0.01600 0.01548 0.00186 0.01156
|
|
394 14F+2 -0.00539 -0.04112 0.00994 0.01277 -0.00807
|
|
395 14F-2 -0.01687 0.01748 -0.01187 0.00042 -0.00505
|
|
396 14F+3 -0.00043 0.01433 -0.00723 -0.00867 0.00232
|
|
397 14F-3 0.00627 0.01022 0.00307 0.00132 -0.00136
|
|
398 15G 0 0.00019 -0.00108 0.00176 -0.00007 0.00010
|
|
399 15G+1 0.00159 0.00140 -0.00098 0.00015 0.00200
|
|
400 15G-1 0.00166 0.00003 -0.00003 0.00000 0.00117
|
|
401 15G+2 -0.00037 -0.00257 0.00092 0.00060 -0.00051
|
|
402 15G-2 -0.00186 0.00101 -0.00081 0.00009 -0.00047
|
|
403 15G+3 -0.00026 0.00229 -0.00076 -0.00075 0.00001
|
|
404 15G-3 0.00095 0.00093 -0.00001 -0.00006 0.00037
|
|
405 15G+4 0.00024 -0.00040 0.00003 0.00058 0.00037
|
|
406 15G-4 -0.00030 -0.00095 0.00008 0.00006 0.00004
|
|
31 32 33 34 35
|
|
V V V V V
|
|
Eigenvalues -- 0.43127 0.45622 0.50774 0.57480 0.59561
|
|
1 1 C 1S 0.02258 0.00000 -0.02456 -0.00019 0.00000
|
|
2 2S -0.04736 0.00000 0.02664 0.00057 0.00000
|
|
3 3S -0.02100 0.00000 -0.08087 0.00606 0.00000
|
|
4 4S -0.44098 0.00000 -0.94207 -0.08899 0.00000
|
|
5 5S 3.28052 0.00000 10.62595 0.26278 0.00000
|
|
6 6S 5.95710 0.00000 18.66794 0.83840 0.00000
|
|
7 7PX 0.06745 0.00000 0.00668 0.02861 0.00000
|
|
8 7PY -0.01523 0.00000 0.02227 -0.00603 0.00000
|
|
9 7PZ 0.00000 -0.05260 0.00000 0.00000 -0.02250
|
|
10 8PX -0.10699 0.00000 0.00389 -0.24430 0.00000
|
|
11 8PY -0.05162 0.00000 0.00271 0.01892 0.00000
|
|
12 8PZ 0.00000 0.15143 0.00000 0.00000 0.30562
|
|
13 9PX 2.15791 0.00000 0.21780 3.03810 0.00000
|
|
14 9PY 0.38057 0.00000 0.78941 -0.13979 0.00000
|
|
15 9PZ 0.00000 -2.28140 0.00000 0.00000 -3.86064
|
|
16 10PX 9.66753 0.00000 0.00312 12.62925 0.00000
|
|
17 10PY 0.40555 0.00000 3.99773 0.07444 0.00000
|
|
18 10PZ 0.00000 -9.70687 0.00000 0.00000 -16.74388
|
|
19 11PX -1.43045 0.00000 -0.47249 2.17203 0.00000
|
|
20 11PY 0.32605 0.00000 -2.33930 -0.52127 0.00000
|
|
21 11PZ 0.00000 0.37949 0.00000 0.00000 -2.97362
|
|
22 12D 0 -0.00379 0.00000 -0.00095 -0.00504 0.00000
|
|
23 12D+1 0.00000 0.00292 0.00000 0.00000 0.00813
|
|
24 12D-1 0.00000 0.00291 0.00000 0.00000 0.00757
|
|
25 12D+2 -0.00112 0.00000 -0.00105 0.00313 0.00000
|
|
26 12D-2 -0.00166 0.00000 0.00075 -0.00350 0.00000
|
|
27 13D 0 -0.02601 0.00000 -0.01241 0.03062 0.00000
|
|
28 13D+1 0.00000 0.04435 0.00000 0.00000 -0.06822
|
|
29 13D-1 0.00000 -0.01890 0.00000 0.00000 -0.01175
|
|
30 13D+2 0.03602 0.00000 -0.01095 -0.01485 0.00000
|
|
31 13D-2 0.00503 0.00000 -0.00370 -0.01775 0.00000
|
|
32 14D 0 1.20659 0.00000 0.47945 1.07369 0.00000
|
|
33 14D+1 0.00000 -1.53810 0.00000 0.00000 -1.11285
|
|
34 14D-1 0.00000 -0.54959 0.00000 0.00000 -1.51614
|
|
35 14D+2 -0.58321 0.00000 0.50339 -0.71151 0.00000
|
|
36 14D-2 0.43507 0.00000 0.15163 1.27709 0.00000
|
|
37 15D 0 2.51164 0.00000 0.61694 3.70787 0.00000
|
|
38 15D+1 0.00000 -3.12324 0.00000 0.00000 -4.43412
|
|
39 15D-1 0.00000 -1.86414 0.00000 0.00000 -3.23104
|
|
40 15D+2 -1.50600 0.00000 1.15274 -2.07664 0.00000
|
|
41 15D-2 1.21533 0.00000 0.53732 2.47299 0.00000
|
|
42 16F 0 0.00000 0.00692 0.00000 0.00000 0.00022
|
|
43 16F+1 -0.00514 0.00000 -0.01146 -0.00046 0.00000
|
|
44 16F-1 -0.00818 0.00000 -0.00538 -0.00850 0.00000
|
|
45 16F+2 0.00000 0.00676 0.00000 0.00000 0.00340
|
|
46 16F-2 0.00000 0.00956 0.00000 0.00000 0.00668
|
|
47 16F+3 -0.00944 0.00000 0.00317 0.00074 0.00000
|
|
48 16F-3 0.00306 0.00000 -0.00460 0.00445 0.00000
|
|
49 17F 0 0.00000 -0.08557 0.00000 0.00000 -0.03072
|
|
50 17F+1 0.07891 0.00000 0.16443 0.01146 0.00000
|
|
51 17F-1 0.10869 0.00000 0.07604 0.13723 0.00000
|
|
52 17F+2 0.00000 -0.08350 0.00000 0.00000 -0.05430
|
|
53 17F-2 0.00000 -0.13046 0.00000 0.00000 -0.16071
|
|
54 17F+3 0.10030 0.00000 -0.04536 0.03782 0.00000
|
|
55 17F-3 -0.02635 0.00000 0.05649 -0.09533 0.00000
|
|
56 18F 0 0.00000 -0.30389 0.00000 0.00000 0.02578
|
|
57 18F+1 0.28194 0.00000 0.56748 0.08278 0.00000
|
|
58 18F-1 0.32619 0.00000 0.19586 0.50322 0.00000
|
|
59 18F+2 0.00000 -0.26549 0.00000 0.00000 -0.02929
|
|
60 18F-2 0.00000 -0.48440 0.00000 0.00000 -0.54831
|
|
61 18F+3 0.34848 0.00000 -0.10801 0.10360 0.00000
|
|
62 18F-3 0.03241 0.00000 0.18917 -0.46813 0.00000
|
|
63 19G 0 0.00025 0.00000 0.00135 -0.00715 0.00000
|
|
64 19G+1 0.00000 -0.00197 0.00000 0.00000 -0.01156
|
|
65 19G-1 0.00000 -0.00199 0.00000 0.00000 -0.00514
|
|
66 19G+2 -0.00072 0.00000 0.00117 0.00686 0.00000
|
|
67 19G-2 0.00218 0.00000 0.00027 0.00195 0.00000
|
|
68 19G+3 0.00000 -0.00271 0.00000 0.00000 0.00540
|
|
69 19G-3 0.00000 -0.00260 0.00000 0.00000 -0.00251
|
|
70 19G+4 -0.00293 0.00000 -0.00015 -0.00170 0.00000
|
|
71 19G-4 0.00096 0.00000 0.00095 0.00427 0.00000
|
|
72 20G 0 -0.03270 0.00000 0.01044 -0.09202 0.00000
|
|
73 20G+1 0.00000 -0.11758 0.00000 0.00000 -0.14104
|
|
74 20G-1 0.00000 -0.06818 0.00000 0.00000 -0.10162
|
|
75 20G+2 0.11340 0.00000 0.01001 0.06073 0.00000
|
|
76 20G-2 0.06859 0.00000 0.07348 0.03805 0.00000
|
|
77 20G+3 0.00000 -0.02933 0.00000 0.00000 0.09007
|
|
78 20G-3 0.00000 -0.05203 0.00000 0.00000 -0.08815
|
|
79 20G+4 -0.06416 0.00000 0.03308 0.01143 0.00000
|
|
80 20G-4 0.04836 0.00000 -0.02539 0.12266 0.00000
|
|
81 21H 0 0.00000 0.00921 0.00000 0.00000 -0.00165
|
|
82 21H+1 0.01493 0.00000 0.00378 -0.00184 0.00000
|
|
83 21H-1 0.00461 0.00000 0.00359 -0.00632 0.00000
|
|
84 21H+2 0.00000 -0.01981 0.00000 0.00000 0.01316
|
|
85 21H-2 0.00000 -0.01110 0.00000 0.00000 -0.02117
|
|
86 21H+3 -0.00521 0.00000 0.00314 -0.00314 0.00000
|
|
87 21H-3 0.00817 0.00000 0.00262 0.01689 0.00000
|
|
88 21H+4 0.00000 0.00089 0.00000 0.00000 0.00077
|
|
89 21H-4 0.00000 -0.00996 0.00000 0.00000 0.00942
|
|
90 21H+5 0.01042 0.00000 -0.00317 -0.00958 0.00000
|
|
91 21H-5 -0.00585 0.00000 0.00093 -0.01193 0.00000
|
|
92 2 S 1S 0.00207 0.00000 0.01074 -0.00260 0.00000
|
|
93 2S -0.00329 0.00000 -0.01048 0.00007 0.00000
|
|
94 3S 0.00956 0.00000 0.06256 -0.02591 0.00000
|
|
95 4S -0.00068 0.00000 -0.00084 -0.10743 0.00000
|
|
96 5S -0.01462 0.00000 0.24154 0.79267 0.00000
|
|
97 6S 0.15596 0.00000 0.74112 -1.40645 0.00000
|
|
98 7S -1.03310 0.00000 -8.88276 -4.41445 0.00000
|
|
99 8PX -0.01540 0.00000 0.00416 0.01444 0.00000
|
|
100 8PY 0.00379 0.00000 0.00740 -0.00512 0.00000
|
|
101 8PZ 0.00000 0.00470 0.00000 0.00000 0.00912
|
|
102 9PX 0.03176 0.00000 -0.00943 -0.01910 0.00000
|
|
103 9PY -0.01246 0.00000 -0.02047 0.00927 0.00000
|
|
104 9PZ 0.00000 -0.00954 0.00000 0.00000 -0.01526
|
|
105 10PX 0.01343 0.00000 -0.01423 0.04459 0.00000
|
|
106 10PY -0.02454 0.00000 -0.02608 -0.01024 0.00000
|
|
107 10PZ 0.00000 -0.00256 0.00000 0.00000 0.00834
|
|
108 11PX 0.01448 0.00000 0.22006 -0.04266 0.00000
|
|
109 11PY 0.10943 0.00000 0.00128 0.10245 0.00000
|
|
110 11PZ 0.00000 -0.04582 0.00000 0.00000 -0.13163
|
|
111 12PX 0.79333 0.00000 -2.79424 -3.29815 0.00000
|
|
112 12PY -1.05819 0.00000 -0.05131 0.42132 0.00000
|
|
113 12PZ 0.00000 0.00304 0.00000 0.00000 0.07315
|
|
114 13PX -0.30832 0.00000 -0.11485 -1.42869 0.00000
|
|
115 13PY 0.07474 0.00000 -1.96152 -0.80214 0.00000
|
|
116 13PZ 0.00000 0.20839 0.00000 0.00000 0.80506
|
|
117 14D 0 -0.15336 0.00000 0.71158 1.18871 0.00000
|
|
118 14D+1 0.00000 -0.04995 0.00000 0.00000 -0.01272
|
|
119 14D-1 0.00000 0.40266 0.00000 0.00000 0.67765
|
|
120 14D+2 0.79726 0.00000 -1.49877 -1.17221 0.00000
|
|
121 14D-2 -0.26510 0.00000 0.54081 0.33330 0.00000
|
|
122 15D 0 0.02481 0.00000 0.04916 0.15624 0.00000
|
|
123 15D+1 0.00000 -0.04456 0.00000 0.00000 -0.06151
|
|
124 15D-1 0.00000 -0.00933 0.00000 0.00000 -0.00207
|
|
125 15D+2 0.06514 0.00000 -0.04648 -0.25317 0.00000
|
|
126 15D-2 0.00511 0.00000 -0.07100 0.09459 0.00000
|
|
127 16D 0 -0.00419 0.00000 -0.02096 0.01650 0.00000
|
|
128 16D+1 0.00000 -0.03328 0.00000 0.00000 0.02325
|
|
129 16D-1 0.00000 0.06191 0.00000 0.00000 0.03098
|
|
130 16D+2 -0.02064 0.00000 -0.00095 0.02320 0.00000
|
|
131 16D-2 -0.02970 0.00000 -0.00479 -0.03000 0.00000
|
|
132 17D 0 0.00103 0.00000 0.00217 0.01598 0.00000
|
|
133 17D+1 0.00000 -0.01021 0.00000 0.00000 -0.00130
|
|
134 17D-1 0.00000 0.01107 0.00000 0.00000 0.00758
|
|
135 17D+2 0.00432 0.00000 -0.00900 -0.01121 0.00000
|
|
136 17D-2 -0.00733 0.00000 -0.00610 0.00061 0.00000
|
|
137 18F 0 0.00000 0.03642 0.00000 0.00000 -0.03881
|
|
138 18F+1 -0.09017 0.00000 0.23930 0.24584 0.00000
|
|
139 18F-1 -0.06118 0.00000 -0.10922 -0.05811 0.00000
|
|
140 18F+2 0.00000 0.10889 0.00000 0.00000 -0.20547
|
|
141 18F-2 0.00000 0.14111 0.00000 0.00000 0.02482
|
|
142 18F+3 0.09357 0.00000 -0.56725 -0.21643 0.00000
|
|
143 18F-3 0.21473 0.00000 0.10787 0.29570 0.00000
|
|
144 19F 0 0.00000 -0.01099 0.00000 0.00000 0.01260
|
|
145 19F+1 -0.02200 0.00000 0.04005 0.10811 0.00000
|
|
146 19F-1 0.04977 0.00000 0.04176 0.01874 0.00000
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|
147 19F+2 0.00000 -0.04373 0.00000 0.00000 -0.03096
|
|
148 19F-2 0.00000 -0.05144 0.00000 0.00000 0.00517
|
|
149 19F+3 0.04474 0.00000 -0.01673 -0.12897 0.00000
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|
150 19F-3 -0.01634 0.00000 0.01140 0.06234 0.00000
|
|
151 20F 0 0.00000 0.00676 0.00000 0.00000 -0.00016
|
|
152 20F+1 0.00197 0.00000 -0.00928 -0.01162 0.00000
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|
153 20F-1 -0.01064 0.00000 -0.00798 -0.00489 0.00000
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154 20F+2 0.00000 0.01408 0.00000 0.00000 0.00567
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|
155 20F-2 0.00000 0.01471 0.00000 0.00000 -0.00645
|
|
156 20F+3 -0.01525 0.00000 0.00214 0.01268 0.00000
|
|
157 20F-3 0.00623 0.00000 -0.00263 -0.01133 0.00000
|
|
158 21G 0 0.01631 0.00000 -0.04098 -0.06539 0.00000
|
|
159 21G+1 0.00000 -0.00261 0.00000 0.00000 0.02618
|
|
160 21G-1 0.00000 0.00380 0.00000 0.00000 -0.03520
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161 21G+2 -0.02811 0.00000 0.06709 0.05801 0.00000
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162 21G-2 -0.00489 0.00000 -0.01799 -0.03190 0.00000
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163 21G+3 0.00000 0.00148 0.00000 0.00000 -0.02693
|
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164 21G-3 0.00000 -0.00113 0.00000 0.00000 -0.01743
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165 21G+4 0.00986 0.00000 -0.10480 -0.09300 0.00000
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166 21G-4 0.00610 0.00000 -0.00903 0.09003 0.00000
|
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167 22G 0 -0.00177 0.00000 0.00399 -0.00218 0.00000
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168 22G+1 0.00000 0.00258 0.00000 0.00000 0.00156
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169 22G-1 0.00000 -0.00128 0.00000 0.00000 0.00370
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170 22G+2 -0.00142 0.00000 -0.00616 0.00126 0.00000
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171 22G-2 0.00167 0.00000 0.00276 0.00024 0.00000
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172 22G+3 0.00000 0.00085 0.00000 0.00000 0.00359
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173 22G-3 0.00000 0.00036 0.00000 0.00000 0.00279
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174 22G+4 0.00155 0.00000 0.00980 0.00138 0.00000
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175 22G-4 -0.00363 0.00000 0.00167 -0.00086 0.00000
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176 23H 0 0.00000 0.00071 0.00000 0.00000 0.00063
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177 23H+1 0.00419 0.00000 -0.00522 -0.01132 0.00000
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178 23H-1 -0.00186 0.00000 0.00039 -0.00181 0.00000
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179 23H+2 0.00000 0.00325 0.00000 0.00000 0.00838
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180 23H-2 0.00000 0.00147 0.00000 0.00000 -0.00014
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181 23H+3 -0.00433 0.00000 0.01137 0.00999 0.00000
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182 23H-3 -0.00029 0.00000 0.00022 -0.01006 0.00000
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183 23H+4 0.00000 0.00178 0.00000 0.00000 -0.00003
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184 23H-4 0.00000 0.00200 0.00000 0.00000 0.00187
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185 23H+5 0.00221 0.00000 -0.01101 -0.01409 0.00000
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186 23H-5 -0.00307 0.00000 -0.00043 0.01126 0.00000
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187 3 H 1S -0.00376 0.00000 0.00098 0.00496 0.00000
|
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188 2S 0.00454 0.00000 -0.07976 -0.06221 0.00000
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189 3S -0.29401 0.00000 0.89071 0.90302 0.00000
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190 4S -1.21956 0.00000 4.33180 5.68555 0.00000
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191 5S 0.86629 0.00000 -0.76341 -0.80964 0.00000
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192 6PX 0.00173 0.00000 0.00042 -0.00530 0.00000
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193 6PY 0.00206 0.00000 0.00188 0.00176 0.00000
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194 6PZ 0.00000 0.00314 0.00000 0.00000 -0.00375
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195 7PX -0.01780 0.00000 0.00405 0.05065 0.00000
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196 7PY -0.01355 0.00000 -0.01261 -0.01623 0.00000
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197 7PZ 0.00000 -0.02234 0.00000 0.00000 0.02046
|
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198 8PX 0.13289 0.00000 -0.18444 -0.45863 0.00000
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199 8PY 0.01406 0.00000 0.08986 0.07337 0.00000
|
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200 8PZ 0.00000 0.04875 0.00000 0.00000 -0.05355
|
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201 9PX 0.08220 0.00000 -1.35976 -1.43570 0.00000
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202 9PY -0.38554 0.00000 0.07140 -0.30574 0.00000
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203 9PZ 0.00000 -0.25747 0.00000 0.00000 0.57950
|
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204 10D 0 -0.00148 0.00000 0.00156 0.00208 0.00000
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205 10D+1 0.00000 0.00004 0.00000 0.00000 -0.00100
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206 10D-1 0.00000 0.00276 0.00000 0.00000 0.00086
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207 10D+2 0.00166 0.00000 0.00201 -0.00270 0.00000
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208 10D-2 0.00021 0.00000 0.00173 0.00198 0.00000
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209 11D 0 0.00980 0.00000 -0.01349 -0.01767 0.00000
|
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210 11D+1 0.00000 0.00038 0.00000 0.00000 0.00809
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211 11D-1 0.00000 -0.01086 0.00000 0.00000 -0.00456
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212 11D+2 -0.01354 0.00000 -0.00044 0.02618 0.00000
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213 11D-2 -0.00049 0.00000 -0.00881 -0.01543 0.00000
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214 12D 0 -0.00384 0.00000 0.00415 -0.08966 0.00000
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215 12D+1 0.00000 0.00591 0.00000 0.00000 -0.10806
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216 12D-1 0.00000 0.03082 0.00000 0.00000 0.02724
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217 12D+2 0.01775 0.00000 0.05832 0.17922 0.00000
|
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218 12D-2 0.04438 0.00000 -0.05126 0.05582 0.00000
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219 13F 0 0.00000 0.00040 0.00000 0.00000 0.00230
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|
220 13F+1 -0.00142 0.00000 0.00292 0.00241 0.00000
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|
221 13F-1 -0.00007 0.00000 -0.00020 -0.00133 0.00000
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222 13F+2 0.00000 0.00146 0.00000 0.00000 -0.00198
|
|
223 13F-2 0.00000 -0.00078 0.00000 0.00000 0.00081
|
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224 13F+3 0.00256 0.00000 -0.00304 -0.00169 0.00000
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|
225 13F-3 0.00023 0.00000 -0.00049 0.00308 0.00000
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226 14F 0 0.00000 -0.00188 0.00000 0.00000 -0.01784
|
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227 14F+1 0.00346 0.00000 -0.01110 0.00521 0.00000
|
|
228 14F-1 0.00144 0.00000 -0.00117 0.00623 0.00000
|
|
229 14F+2 0.00000 -0.00768 0.00000 0.00000 0.01773
|
|
230 14F-2 0.00000 0.00152 0.00000 0.00000 -0.00703
|
|
231 14F+3 -0.01055 0.00000 0.01395 -0.01716 0.00000
|
|
232 14F-3 -0.00506 0.00000 0.01173 -0.01384 0.00000
|
|
233 15G 0 0.00001 0.00000 0.00016 0.00031 0.00000
|
|
234 15G+1 0.00000 -0.00018 0.00000 0.00000 0.00110
|
|
235 15G-1 0.00000 -0.00024 0.00000 0.00000 -0.00019
|
|
236 15G+2 -0.00003 0.00000 -0.00015 -0.00084 0.00000
|
|
237 15G-2 -0.00016 0.00000 0.00011 -0.00030 0.00000
|
|
238 15G+3 0.00000 0.00036 0.00000 0.00000 -0.00086
|
|
239 15G-3 0.00000 0.00045 0.00000 0.00000 0.00049
|
|
240 15G+4 0.00033 0.00000 -0.00027 0.00167 0.00000
|
|
241 15G-4 0.00037 0.00000 -0.00046 -0.00001 0.00000
|
|
242 4 H 1S 0.00612 0.00000 -0.00686 -0.00627 0.00000
|
|
243 2S -0.04549 0.00000 -0.00344 -0.24060 0.00000
|
|
244 3S 2.13034 0.00000 -1.15709 3.57597 0.00000
|
|
245 4S 10.18990 0.00000 -7.97360 16.62549 0.00000
|
|
246 5S -4.35445 0.00000 -0.40911 -0.66446 0.00000
|
|
247 6PX -0.00231 0.00000 -0.00368 -0.00081 0.00000
|
|
248 6PY 0.00004 0.00000 0.00096 0.00084 0.00000
|
|
249 6PZ 0.00000 -0.00077 0.00000 0.00000 -0.00587
|
|
250 7PX -0.00845 0.00000 0.03180 -0.03198 0.00000
|
|
251 7PY 0.00759 0.00000 -0.00916 0.00076 0.00000
|
|
252 7PZ 0.00000 0.00415 0.00000 0.00000 0.03184
|
|
253 8PX 0.70641 0.00000 -0.48126 1.32056 0.00000
|
|
254 8PY -0.36520 0.00000 0.17947 -0.15369 0.00000
|
|
255 8PZ 0.00000 -0.11480 0.00000 0.00000 0.07442
|
|
256 9PX 2.03231 0.00000 -1.64018 4.60506 0.00000
|
|
257 9PY -1.28440 0.00000 0.76370 -0.45545 0.00000
|
|
258 9PZ 0.00000 -0.63148 0.00000 0.00000 1.14536
|
|
259 10D 0 0.00127 0.00000 -0.00126 0.00309 0.00000
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260 10D+1 0.00000 0.00360 0.00000 0.00000 -0.00622
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261 10D-1 0.00000 0.00127 0.00000 0.00000 0.00615
|
|
262 10D+2 -0.00130 0.00000 0.00005 -0.01123 0.00000
|
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263 10D-2 0.00488 0.00000 -0.00156 0.00147 0.00000
|
|
264 11D 0 -0.03416 0.00000 0.01889 -0.05129 0.00000
|
|
265 11D+1 0.00000 -0.02162 0.00000 0.00000 0.04649
|
|
266 11D-1 0.00000 -0.00381 0.00000 0.00000 -0.03517
|
|
267 11D+2 0.04064 0.00000 -0.01803 0.11504 0.00000
|
|
268 11D-2 -0.05655 0.00000 0.02261 -0.03073 0.00000
|
|
269 12D 0 -0.12048 0.00000 0.11430 -0.27144 0.00000
|
|
270 12D+1 0.00000 -0.16008 0.00000 0.00000 0.27345
|
|
271 12D-1 0.00000 0.03904 0.00000 0.00000 -0.02956
|
|
272 12D+2 0.05485 0.00000 -0.12911 0.52377 0.00000
|
|
273 12D-2 -0.28745 0.00000 0.15605 0.01456 0.00000
|
|
274 13F 0 0.00000 -0.00079 0.00000 0.00000 0.00304
|
|
275 13F+1 -0.00347 0.00000 0.00077 -0.00294 0.00000
|
|
276 13F-1 0.00158 0.00000 -0.00084 0.00334 0.00000
|
|
277 13F+2 0.00000 0.00049 0.00000 0.00000 -0.00186
|
|
278 13F-2 0.00000 0.00048 0.00000 0.00000 0.00072
|
|
279 13F+3 0.00376 0.00000 -0.00168 0.00259 0.00000
|
|
280 13F-3 -0.00191 0.00000 0.00106 -0.00443 0.00000
|
|
281 14F 0 0.00000 0.02527 0.00000 0.00000 -0.06097
|
|
282 14F+1 -0.00012 0.00000 0.01291 -0.03145 0.00000
|
|
283 14F-1 0.01098 0.00000 -0.00367 -0.01782 0.00000
|
|
284 14F+2 0.00000 -0.02789 0.00000 0.00000 0.05821
|
|
285 14F-2 0.00000 0.01170 0.00000 0.00000 -0.03760
|
|
286 14F+3 -0.03430 0.00000 0.00218 0.07457 0.00000
|
|
287 14F-3 -0.03706 0.00000 0.02385 0.01270 0.00000
|
|
288 15G 0 0.00018 0.00000 -0.00025 0.00076 0.00000
|
|
289 15G+1 0.00000 0.00207 0.00000 0.00000 -0.00416
|
|
290 15G-1 0.00000 -0.00016 0.00000 0.00000 0.00157
|
|
291 15G+2 0.00077 0.00000 0.00060 -0.00203 0.00000
|
|
292 15G-2 0.00147 0.00000 -0.00042 -0.00099 0.00000
|
|
293 15G+3 0.00000 -0.00137 0.00000 0.00000 0.00267
|
|
294 15G-3 0.00000 0.00176 0.00000 0.00000 -0.00286
|
|
295 15G+4 -0.00278 0.00000 0.00067 0.00482 0.00000
|
|
296 15G-4 -0.00088 0.00000 0.00161 -0.00069 0.00000
|
|
297 5 H 1S -0.00109 0.00035 -0.00821 0.00443 -0.01100
|
|
298 2S 0.10315 -0.11744 0.00712 0.12709 -0.28020
|
|
299 3S -1.94167 2.66294 -1.40821 -1.85104 3.36650
|
|
300 4S -7.51921 10.44964 -9.14057 -8.25811 18.52522
|
|
301 5S 0.90988 -1.99995 0.56719 0.67968 -0.47553
|
|
302 6PX -0.00230 0.00123 0.00168 0.00382 0.00292
|
|
303 6PY 0.00044 0.00113 0.00187 0.00092 0.00020
|
|
304 6PZ -0.00169 0.00234 0.00474 -0.00360 -0.00069
|
|
305 7PX 0.01019 0.00251 -0.01630 -0.02925 -0.00116
|
|
306 7PY -0.01021 0.00492 -0.01613 -0.01133 0.01057
|
|
307 7PZ -0.00127 0.00465 -0.04061 0.00620 0.03431
|
|
308 8PX 0.25715 -0.33411 0.28010 0.32321 -0.57228
|
|
309 8PY 0.33618 -0.46435 0.28974 0.21704 -0.37941
|
|
310 8PZ 0.50516 -0.72873 0.54552 0.51663 -1.07350
|
|
311 9PX 1.12494 -0.76538 0.89181 0.66691 -2.67327
|
|
312 9PY 1.24469 -1.63121 1.05545 0.84283 -1.86563
|
|
313 9PZ 1.63262 -2.20305 1.74812 2.03510 -4.31948
|
|
314 10D 0 0.00036 -0.00302 -0.00050 0.00566 -0.00510
|
|
315 10D+1 0.00261 -0.00121 0.00141 0.00154 -0.00708
|
|
316 10D-1 0.00315 -0.00578 0.00166 0.00403 -0.00138
|
|
317 10D+2 0.00191 0.00103 -0.00012 0.00126 -0.00487
|
|
318 10D-2 0.00093 -0.00374 0.00040 -0.00345 -0.00622
|
|
319 11D 0 -0.02194 0.04263 -0.01269 -0.05377 0.05716
|
|
320 11D+1 -0.03905 0.04028 -0.02747 -0.02758 0.08150
|
|
321 11D-1 -0.04023 0.06619 -0.02664 -0.03773 0.03747
|
|
322 11D+2 -0.00915 -0.00712 -0.00067 -0.00783 0.03222
|
|
323 11D-2 -0.01867 0.03640 -0.01221 0.01058 0.04958
|
|
324 12D 0 -0.04473 0.10493 -0.13033 -0.16909 0.28646
|
|
325 12D+1 -0.12848 0.07803 -0.16753 -0.13073 0.44658
|
|
326 12D-1 -0.21727 0.30600 -0.22264 -0.11640 0.27004
|
|
327 12D+2 0.06734 -0.13512 0.03621 0.04272 0.05121
|
|
328 12D-2 -0.12966 0.12897 -0.12728 -0.06735 0.11786
|
|
329 13F 0 0.00106 -0.00107 0.00102 0.00009 -0.00203
|
|
330 13F+1 0.00285 -0.00416 0.00191 0.00122 -0.00267
|
|
331 13F-1 0.00173 -0.00229 0.00147 0.00157 -0.00356
|
|
332 13F+2 0.00011 -0.00203 0.00103 0.00257 -0.00059
|
|
333 13F-2 0.00186 -0.00280 0.00099 0.00287 -0.00372
|
|
334 13F+3 0.00023 -0.00056 0.00065 -0.00018 -0.00019
|
|
335 13F-3 0.00056 0.00023 0.00078 0.00071 -0.00077
|
|
336 14F 0 -0.01807 0.00816 -0.00926 0.02875 0.00244
|
|
337 14F+1 0.00330 0.01029 0.00919 0.01799 -0.04958
|
|
338 14F-1 0.01464 -0.03467 0.01895 0.02251 -0.01299
|
|
339 14F+2 -0.00836 0.04446 -0.01089 -0.01693 -0.02846
|
|
340 14F-2 0.02312 -0.02192 0.02229 -0.00846 -0.02850
|
|
341 14F+3 -0.01243 0.02365 -0.01232 0.00048 0.00019
|
|
342 14F-3 0.00391 0.00107 0.00221 -0.00687 -0.01480
|
|
343 15G 0 0.00155 -0.00089 0.00101 -0.00136 -0.00097
|
|
344 15G+1 0.00010 -0.00046 0.00002 -0.00134 0.00179
|
|
345 15G-1 0.00053 0.00091 -0.00060 -0.00199 0.00099
|
|
346 15G+2 0.00042 -0.00284 0.00078 0.00046 0.00199
|
|
347 15G-2 -0.00152 0.00126 -0.00120 -0.00027 0.00247
|
|
348 15G+3 0.00127 -0.00243 0.00109 0.00030 0.00009
|
|
349 15G-3 -0.00035 -0.00094 -0.00048 0.00051 0.00233
|
|
350 15G+4 0.00064 -0.00028 0.00057 0.00017 -0.00029
|
|
351 15G-4 -0.00011 -0.00110 0.00010 -0.00008 0.00064
|
|
352 6 H 1S -0.00109 -0.00035 -0.00821 0.00443 0.01100
|
|
353 2S 0.10315 0.11744 0.00712 0.12709 0.28020
|
|
354 3S -1.94167 -2.66294 -1.40821 -1.85104 -3.36650
|
|
355 4S -7.51921 -10.44964 -9.14057 -8.25811 -18.52522
|
|
356 5S 0.90988 1.99995 0.56719 0.67968 0.47553
|
|
357 6PX -0.00230 -0.00123 0.00168 0.00382 -0.00292
|
|
358 6PY 0.00044 -0.00113 0.00187 0.00092 -0.00020
|
|
359 6PZ 0.00169 0.00234 -0.00474 0.00360 -0.00069
|
|
360 7PX 0.01019 -0.00251 -0.01630 -0.02925 0.00116
|
|
361 7PY -0.01021 -0.00492 -0.01613 -0.01133 -0.01057
|
|
362 7PZ 0.00127 0.00465 0.04061 -0.00620 0.03431
|
|
363 8PX 0.25715 0.33411 0.28010 0.32321 0.57228
|
|
364 8PY 0.33618 0.46435 0.28974 0.21704 0.37941
|
|
365 8PZ -0.50516 -0.72873 -0.54552 -0.51663 -1.07350
|
|
366 9PX 1.12494 0.76538 0.89181 0.66691 2.67327
|
|
367 9PY 1.24469 1.63121 1.05545 0.84283 1.86563
|
|
368 9PZ -1.63262 -2.20305 -1.74812 -2.03510 -4.31948
|
|
369 10D 0 0.00036 0.00302 -0.00050 0.00566 0.00510
|
|
370 10D+1 -0.00261 -0.00121 -0.00141 -0.00154 -0.00708
|
|
371 10D-1 -0.00315 -0.00578 -0.00166 -0.00403 -0.00138
|
|
372 10D+2 0.00191 -0.00103 -0.00012 0.00126 0.00487
|
|
373 10D-2 0.00093 0.00374 0.00040 -0.00345 0.00622
|
|
374 11D 0 -0.02194 -0.04263 -0.01269 -0.05377 -0.05716
|
|
375 11D+1 0.03905 0.04028 0.02747 0.02758 0.08150
|
|
376 11D-1 0.04023 0.06619 0.02664 0.03773 0.03747
|
|
377 11D+2 -0.00915 0.00712 -0.00067 -0.00783 -0.03222
|
|
378 11D-2 -0.01867 -0.03640 -0.01221 0.01058 -0.04958
|
|
379 12D 0 -0.04473 -0.10493 -0.13033 -0.16909 -0.28646
|
|
380 12D+1 0.12848 0.07803 0.16753 0.13073 0.44658
|
|
381 12D-1 0.21727 0.30600 0.22264 0.11640 0.27004
|
|
382 12D+2 0.06734 0.13512 0.03621 0.04272 -0.05121
|
|
383 12D-2 -0.12966 -0.12897 -0.12728 -0.06735 -0.11786
|
|
384 13F 0 -0.00106 -0.00107 -0.00102 -0.00009 -0.00203
|
|
385 13F+1 0.00285 0.00416 0.00191 0.00122 0.00267
|
|
386 13F-1 0.00173 0.00229 0.00147 0.00157 0.00356
|
|
387 13F+2 -0.00011 -0.00203 -0.00103 -0.00257 -0.00059
|
|
388 13F-2 -0.00186 -0.00280 -0.00099 -0.00287 -0.00372
|
|
389 13F+3 0.00023 0.00056 0.00065 -0.00018 0.00019
|
|
390 13F-3 0.00056 -0.00023 0.00078 0.00071 0.00077
|
|
391 14F 0 0.01807 0.00816 0.00926 -0.02875 0.00244
|
|
392 14F+1 0.00330 -0.01029 0.00919 0.01799 0.04958
|
|
393 14F-1 0.01464 0.03467 0.01895 0.02251 0.01299
|
|
394 14F+2 0.00836 0.04446 0.01089 0.01693 -0.02846
|
|
395 14F-2 -0.02312 -0.02192 -0.02229 0.00846 -0.02850
|
|
396 14F+3 -0.01243 -0.02365 -0.01232 0.00048 -0.00019
|
|
397 14F-3 0.00391 -0.00107 0.00221 -0.00687 0.01480
|
|
398 15G 0 0.00155 0.00089 0.00101 -0.00136 0.00097
|
|
399 15G+1 -0.00010 -0.00046 -0.00002 0.00134 0.00179
|
|
400 15G-1 -0.00053 0.00091 0.00060 0.00199 0.00099
|
|
401 15G+2 0.00042 0.00284 0.00078 0.00046 -0.00199
|
|
402 15G-2 -0.00152 -0.00126 -0.00120 -0.00027 -0.00247
|
|
403 15G+3 -0.00127 -0.00243 -0.00109 -0.00030 0.00009
|
|
404 15G-3 0.00035 -0.00094 0.00048 -0.00051 0.00233
|
|
405 15G+4 0.00064 0.00028 0.00057 0.00017 0.00029
|
|
406 15G-4 -0.00011 0.00110 0.00010 -0.00008 -0.00064
|
|
36 37 38 39 40
|
|
V V V V V
|
|
Eigenvalues -- 0.60400 0.62885 0.63882 0.66111 0.68317
|
|
1 1 C 1S -0.00873 0.00000 -0.00836 0.00142 0.00000
|
|
2 2S 0.01836 0.00000 0.02210 -0.00189 0.00000
|
|
3 3S 0.01155 0.00000 0.05828 0.00048 0.00000
|
|
4 4S -0.48687 0.00000 -1.06052 0.18733 0.00000
|
|
5 5S 3.28981 0.00000 4.69671 -1.72338 0.00000
|
|
6 6S 3.03396 0.00000 0.32778 -2.37794 0.00000
|
|
7 7PX 0.00404 0.00000 -0.00528 -0.00448 0.00000
|
|
8 7PY 0.00109 0.00000 0.01883 -0.00113 0.00000
|
|
9 7PZ 0.00000 0.00233 0.00000 0.00000 0.00943
|
|
10 8PX -0.17289 0.00000 -0.00459 -0.15370 0.00000
|
|
11 8PY -0.02997 0.00000 0.10288 -0.01749 0.00000
|
|
12 8PZ 0.00000 -0.01382 0.00000 0.00000 0.19288
|
|
13 9PX 2.12898 0.00000 -0.29786 0.79536 0.00000
|
|
14 9PY 0.43370 0.00000 -0.52049 0.07862 0.00000
|
|
15 9PZ 0.00000 0.08638 0.00000 0.00000 -1.12284
|
|
16 10PX 10.13339 0.00000 -0.62721 6.09942 0.00000
|
|
17 10PY 0.10917 0.00000 0.38076 -0.66829 0.00000
|
|
18 10PZ 0.00000 2.28170 0.00000 0.00000 -5.31188
|
|
19 11PX 2.02467 0.00000 -0.51219 0.26821 0.00000
|
|
20 11PY 0.49008 0.00000 1.74226 -0.31168 0.00000
|
|
21 11PZ 0.00000 0.53326 0.00000 0.00000 -0.56589
|
|
22 12D 0 -0.00634 0.00000 0.00117 0.00028 0.00000
|
|
23 12D+1 0.00000 -0.00013 0.00000 0.00000 0.00034
|
|
24 12D-1 0.00000 -0.00019 0.00000 0.00000 0.00007
|
|
25 12D+2 0.00226 0.00000 0.00081 -0.00100 0.00000
|
|
26 12D-2 -0.00469 0.00000 -0.00021 0.00054 0.00000
|
|
27 13D 0 0.06003 0.00000 0.00882 -0.02071 0.00000
|
|
28 13D+1 0.00000 0.00897 0.00000 0.00000 0.01533
|
|
29 13D-1 0.00000 0.00090 0.00000 0.00000 -0.01618
|
|
30 13D+2 -0.02153 0.00000 0.03670 0.00655 0.00000
|
|
31 13D-2 0.01287 0.00000 0.01224 0.02119 0.00000
|
|
32 14D 0 0.34724 0.00000 -0.05587 0.58608 0.00000
|
|
33 14D+1 0.00000 -0.09329 0.00000 0.00000 -0.75085
|
|
34 14D-1 0.00000 0.02188 0.00000 0.00000 0.35628
|
|
35 14D+2 -0.28480 0.00000 -0.14790 -0.35171 0.00000
|
|
36 14D-2 0.66639 0.00000 -0.26366 -0.43836 0.00000
|
|
37 15D 0 2.17852 0.00000 1.56405 2.04946 0.00000
|
|
38 15D+1 0.00000 0.68784 0.00000 0.00000 -2.60855
|
|
39 15D-1 0.00000 0.15431 0.00000 0.00000 -0.97646
|
|
40 15D+2 -1.94148 0.00000 2.23761 -1.99711 0.00000
|
|
41 15D-2 1.19593 0.00000 0.04287 0.16491 0.00000
|
|
42 16F 0 0.00000 -0.02437 0.00000 0.00000 0.00611
|
|
43 16F+1 -0.00466 0.00000 -0.00060 -0.00350 0.00000
|
|
44 16F-1 -0.00362 0.00000 -0.01234 0.00578 0.00000
|
|
45 16F+2 0.00000 0.01838 0.00000 0.00000 0.01444
|
|
46 16F-2 0.00000 0.00261 0.00000 0.00000 -0.00557
|
|
47 16F+3 -0.00159 0.00000 0.00026 -0.01444 0.00000
|
|
48 16F-3 -0.00200 0.00000 -0.01836 -0.00415 0.00000
|
|
49 17F 0 0.00000 0.25235 0.00000 0.00000 -0.07084
|
|
50 17F+1 0.05319 0.00000 0.02724 0.02913 0.00000
|
|
51 17F-1 0.07491 0.00000 0.07078 -0.04998 0.00000
|
|
52 17F+2 0.00000 -0.18581 0.00000 0.00000 -0.15359
|
|
53 17F-2 0.00000 -0.03047 0.00000 0.00000 0.03592
|
|
54 17F+3 0.04222 0.00000 -0.00093 0.14981 0.00000
|
|
55 17F-3 0.00034 0.00000 0.13101 0.04370 0.00000
|
|
56 18F 0 0.00000 1.17159 0.00000 0.00000 -0.58872
|
|
57 18F+1 0.12459 0.00000 0.55912 0.11117 0.00000
|
|
58 18F-1 0.11150 0.00000 -0.15859 -0.08591 0.00000
|
|
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317 10D+2 0.00054 0.00378 -0.00316 -0.00110 0.00441
|
|
318 10D-2 -0.00267 -0.00328 -0.00125 0.00005 -0.00322
|
|
319 11D 0 -0.05176 0.03756 -0.01001 -0.00402 0.00842
|
|
320 11D+1 -0.00982 -0.02870 -0.02778 -0.00402 0.02547
|
|
321 11D-1 -0.02903 -0.00853 0.00299 -0.02489 0.04462
|
|
322 11D+2 -0.00036 -0.02744 0.01093 0.00958 -0.02722
|
|
323 11D-2 0.01072 0.01115 0.00126 -0.00695 0.02682
|
|
324 12D 0 -0.30970 0.47797 0.13711 0.15693 -0.19890
|
|
325 12D+1 -0.06048 -0.33007 0.06714 0.10784 -0.23195
|
|
326 12D-1 -0.11270 0.11998 -0.02665 -0.21825 0.46144
|
|
327 12D+2 0.08585 -0.19932 0.03959 0.13412 -0.25961
|
|
328 12D-2 -0.01608 -0.33806 -0.02678 -0.09149 0.21901
|
|
329 13F 0 -0.00197 0.00186 0.00138 0.00138 -0.00237
|
|
330 13F+1 0.00195 0.00100 0.00013 0.00331 -0.00491
|
|
331 13F-1 0.00188 0.00291 0.00240 -0.00212 -0.00030
|
|
332 13F+2 0.00059 -0.00289 0.00069 -0.00029 -0.00485
|
|
333 13F-2 0.00187 -0.00195 0.00307 0.00092 0.00051
|
|
334 13F+3 -0.00011 0.00297 0.00105 0.00301 0.00035
|
|
335 13F-3 0.00049 -0.00089 0.00059 0.00146 0.00228
|
|
336 14F 0 0.05983 -0.09918 -0.01610 -0.03109 0.04847
|
|
337 14F+1 0.01434 0.00526 0.00027 -0.03307 0.05106
|
|
338 14F-1 0.02386 -0.04688 -0.01864 0.02867 -0.04182
|
|
339 14F+2 -0.01744 0.06671 -0.00321 -0.03401 0.09003
|
|
340 14F-2 -0.01098 0.04419 -0.01227 0.01699 -0.04522
|
|
341 14F+3 0.00022 -0.00421 -0.00762 -0.03159 0.03608
|
|
342 14F-3 -0.01378 0.03300 -0.00288 -0.00972 -0.00450
|
|
343 15G 0 -0.00235 0.00563 0.00009 0.00149 -0.00268
|
|
344 15G+1 -0.00240 0.00270 0.00082 0.00126 -0.00246
|
|
345 15G-1 -0.00248 0.00391 0.00067 0.00063 0.00018
|
|
346 15G+2 0.00096 -0.00349 0.00005 0.00282 -0.00482
|
|
347 15G-2 -0.00060 -0.00129 0.00025 -0.00116 0.00187
|
|
348 15G+3 0.00007 -0.00138 -0.00028 0.00233 -0.00441
|
|
349 15G-3 0.00127 -0.00325 -0.00028 0.00068 -0.00123
|
|
350 15G+4 -0.00031 0.00038 0.00023 0.00050 -0.00104
|
|
351 15G-4 0.00023 -0.00149 -0.00018 0.00050 -0.00178
|
|
352 6 H 1S 0.00462 -0.00206 0.00807 0.00300 0.00467
|
|
353 2S 0.10514 -0.02198 0.02102 0.03612 0.08037
|
|
354 3S -1.24449 0.09788 -0.69135 -0.48421 -1.32451
|
|
355 4S -7.80730 2.26490 -0.65466 -2.00759 -5.51756
|
|
356 5S -0.40095 0.01308 0.00766 0.40221 0.06189
|
|
357 6PX 0.00181 -0.00264 -0.00181 -0.00010 -0.00219
|
|
358 6PY 0.00149 -0.00120 0.00704 -0.00096 0.00059
|
|
359 6PZ -0.00007 -0.00298 0.00194 0.00274 0.00286
|
|
360 7PX -0.01550 0.02511 0.00900 -0.00153 0.01470
|
|
361 7PY -0.01328 0.00707 -0.04284 0.00206 -0.01409
|
|
362 7PZ 0.01361 0.02158 -0.01084 -0.01727 -0.01242
|
|
363 8PX 0.12857 -0.44490 0.04370 -0.00260 0.04055
|
|
364 8PY 0.17972 -0.06248 0.23863 0.19417 0.49893
|
|
365 8PZ -0.50007 -0.26747 -0.07505 -0.02351 -0.18369
|
|
366 9PX 0.30312 -1.87743 0.02439 0.06887 -0.05747
|
|
367 9PY 0.77948 -0.47785 0.22437 1.23461 2.28445
|
|
368 9PZ -2.26000 -0.55448 0.43117 -0.00510 -0.60020
|
|
369 10D 0 0.00598 0.00491 0.00014 -0.00015 -0.00001
|
|
370 10D+1 0.00046 0.00340 -0.00340 -0.00014 -0.00255
|
|
371 10D-1 -0.00291 0.00187 0.00183 -0.00290 -0.00408
|
|
372 10D+2 0.00054 -0.00378 -0.00316 -0.00110 -0.00441
|
|
373 10D-2 -0.00267 0.00328 -0.00125 0.00005 0.00322
|
|
374 11D 0 -0.05176 -0.03756 -0.01001 -0.00402 -0.00842
|
|
375 11D+1 0.00982 -0.02870 0.02778 0.00402 0.02547
|
|
376 11D-1 0.02903 -0.00853 -0.00299 0.02489 0.04462
|
|
377 11D+2 -0.00036 0.02744 0.01093 0.00958 0.02722
|
|
378 11D-2 0.01072 -0.01115 0.00126 -0.00695 -0.02682
|
|
379 12D 0 -0.30970 -0.47797 0.13711 0.15693 0.19890
|
|
380 12D+1 0.06048 -0.33007 -0.06714 -0.10784 -0.23195
|
|
381 12D-1 0.11270 0.11998 0.02665 0.21825 0.46144
|
|
382 12D+2 0.08585 0.19932 0.03959 0.13412 0.25961
|
|
383 12D-2 -0.01608 0.33806 -0.02678 -0.09149 -0.21901
|
|
384 13F 0 0.00197 0.00186 -0.00138 -0.00138 -0.00237
|
|
385 13F+1 0.00195 -0.00100 0.00013 0.00331 0.00491
|
|
386 13F-1 0.00188 -0.00291 0.00240 -0.00212 0.00030
|
|
387 13F+2 -0.00059 -0.00289 -0.00069 0.00029 -0.00485
|
|
388 13F-2 -0.00187 -0.00195 -0.00307 -0.00092 0.00051
|
|
389 13F+3 -0.00011 -0.00297 0.00105 0.00301 -0.00035
|
|
390 13F-3 0.00049 0.00089 0.00059 0.00146 -0.00228
|
|
391 14F 0 -0.05983 -0.09918 0.01610 0.03109 0.04847
|
|
392 14F+1 0.01434 -0.00526 0.00027 -0.03307 -0.05106
|
|
393 14F-1 0.02386 0.04688 -0.01864 0.02867 0.04182
|
|
394 14F+2 0.01744 0.06671 0.00321 0.03401 0.09003
|
|
395 14F-2 0.01098 0.04419 0.01227 -0.01699 -0.04522
|
|
396 14F+3 0.00022 0.00421 -0.00762 -0.03159 -0.03608
|
|
397 14F-3 -0.01378 -0.03300 -0.00288 -0.00972 0.00450
|
|
398 15G 0 -0.00235 -0.00563 0.00009 0.00149 0.00268
|
|
399 15G+1 0.00240 0.00270 -0.00082 -0.00126 -0.00246
|
|
400 15G-1 0.00248 0.00391 -0.00067 -0.00063 0.00018
|
|
401 15G+2 0.00096 0.00349 0.00005 0.00282 0.00482
|
|
402 15G-2 -0.00060 0.00129 0.00025 -0.00116 -0.00187
|
|
403 15G+3 -0.00007 -0.00138 0.00028 -0.00233 -0.00441
|
|
404 15G-3 -0.00127 -0.00325 0.00028 -0.00068 -0.00123
|
|
405 15G+4 -0.00031 -0.00038 0.00023 0.00050 0.00104
|
|
406 15G-4 0.00023 0.00149 -0.00018 0.00050 0.00178
|
|
41 42 43 44 45
|
|
V V V V V
|
|
Eigenvalues -- 0.70318 0.73571 0.74015 0.76086 0.77154
|
|
1 1 C 1S 0.01236 0.00000 0.00562 0.03004 0.00000
|
|
2 2S -0.02522 0.00000 -0.01164 -0.06416 0.00000
|
|
3 3S -0.02760 0.00000 -0.03719 -0.01941 0.00000
|
|
4 4S 0.59493 0.00000 0.40184 0.49441 0.00000
|
|
5 5S -1.94921 0.00000 1.25849 -2.37316 0.00000
|
|
6 6S -3.57260 0.00000 5.15981 -6.35020 0.00000
|
|
7 7PX 0.01036 0.00000 -0.00835 -0.00435 0.00000
|
|
8 7PY 0.04607 0.00000 0.04798 0.04311 0.00000
|
|
9 7PZ 0.00000 0.00682 0.00000 0.00000 -0.01980
|
|
10 8PX 0.22339 0.00000 -0.15015 -0.06187 0.00000
|
|
11 8PY 0.00088 0.00000 -0.04000 0.15156 0.00000
|
|
12 8PZ 0.00000 0.12004 0.00000 0.00000 -0.31957
|
|
13 9PX -1.55726 0.00000 0.67104 0.77928 0.00000
|
|
14 9PY 0.56219 0.00000 1.17402 -1.15549 0.00000
|
|
15 9PZ 0.00000 -0.74746 0.00000 0.00000 1.65620
|
|
16 10PX 0.71257 0.00000 -0.17968 1.31981 0.00000
|
|
17 10PY 3.85122 0.00000 3.75284 8.58037 0.00000
|
|
18 10PZ 0.00000 0.19559 0.00000 0.00000 1.39956
|
|
19 11PX 0.27015 0.00000 -0.14878 0.97607 0.00000
|
|
20 11PY 1.05522 0.00000 0.03957 1.77912 0.00000
|
|
21 11PZ 0.00000 0.84710 0.00000 0.00000 -1.53882
|
|
22 12D 0 0.00083 0.00000 -0.00142 0.00421 0.00000
|
|
23 12D+1 0.00000 0.00020 0.00000 0.00000 0.00078
|
|
24 12D-1 0.00000 0.00189 0.00000 0.00000 0.00031
|
|
25 12D+2 -0.00080 0.00000 -0.00367 0.01203 0.00000
|
|
26 12D-2 -0.00104 0.00000 -0.00050 -0.00071 0.00000
|
|
27 13D 0 0.04994 0.00000 -0.00248 -0.03408 0.00000
|
|
28 13D+1 0.00000 0.03335 0.00000 0.00000 -0.07337
|
|
29 13D-1 0.00000 0.00092 0.00000 0.00000 -0.04404
|
|
30 13D+2 0.00278 0.00000 0.07080 -0.10173 0.00000
|
|
31 13D-2 0.02367 0.00000 -0.00598 -0.00245 0.00000
|
|
32 14D 0 -1.41744 0.00000 0.38154 0.43947 0.00000
|
|
33 14D+1 0.00000 -0.94275 0.00000 0.00000 1.83697
|
|
34 14D-1 0.00000 -0.23204 0.00000 0.00000 1.38808
|
|
35 14D+2 0.10642 0.00000 -1.26283 0.63455 0.00000
|
|
36 14D-2 -0.67443 0.00000 0.03112 0.00131 0.00000
|
|
37 15D 0 -0.74970 0.00000 0.80290 3.06917 0.00000
|
|
38 15D+1 0.00000 -0.96728 0.00000 0.00000 2.43973
|
|
39 15D-1 0.00000 -0.96694 0.00000 0.00000 4.50065
|
|
40 15D+2 0.49556 0.00000 -2.21072 4.48104 0.00000
|
|
41 15D-2 -2.93596 0.00000 1.20886 0.56960 0.00000
|
|
42 16F 0 0.00000 0.01122 0.00000 0.00000 0.00764
|
|
43 16F+1 0.01059 0.00000 0.01379 -0.00052 0.00000
|
|
44 16F-1 0.00807 0.00000 -0.00238 0.00666 0.00000
|
|
45 16F+2 0.00000 -0.00777 0.00000 0.00000 0.00837
|
|
46 16F-2 0.00000 0.00463 0.00000 0.00000 -0.01853
|
|
47 16F+3 -0.00638 0.00000 -0.00313 -0.00239 0.00000
|
|
48 16F-3 -0.00613 0.00000 0.00408 0.00305 0.00000
|
|
49 17F 0 0.00000 -0.12808 0.00000 0.00000 -0.06290
|
|
50 17F+1 -0.10119 0.00000 -0.11370 0.00129 0.00000
|
|
51 17F-1 -0.10950 0.00000 0.07600 -0.06067 0.00000
|
|
52 17F+2 0.00000 0.07750 0.00000 0.00000 -0.07025
|
|
53 17F-2 0.00000 -0.07413 0.00000 0.00000 0.25745
|
|
54 17F+3 0.02987 0.00000 0.04290 0.04702 0.00000
|
|
55 17F-3 0.10419 0.00000 -0.01570 -0.03796 0.00000
|
|
56 18F 0 0.00000 -0.75424 0.00000 0.00000 -0.01213
|
|
57 18F+1 -0.68661 0.00000 -0.69637 0.60590 0.00000
|
|
58 18F-1 -0.62077 0.00000 0.63482 -0.67099 0.00000
|
|
59 18F+2 0.00000 0.30743 0.00000 0.00000 0.14442
|
|
60 18F-2 0.00000 -0.46345 0.00000 0.00000 1.62432
|
|
61 18F+3 -0.44871 0.00000 0.68615 0.19118 0.00000
|
|
62 18F-3 0.54007 0.00000 0.08721 -0.42096 0.00000
|
|
63 19G 0 0.00085 0.00000 -0.00063 0.00172 0.00000
|
|
64 19G+1 0.00000 -0.00204 0.00000 0.00000 0.00405
|
|
65 19G-1 0.00000 -0.00240 0.00000 0.00000 0.00684
|
|
66 19G+2 -0.00357 0.00000 -0.00091 0.00730 0.00000
|
|
67 19G-2 -0.00327 0.00000 0.00725 -0.00463 0.00000
|
|
68 19G+3 0.00000 -0.00222 0.00000 0.00000 0.00047
|
|
69 19G-3 0.00000 -0.00490 0.00000 0.00000 0.00497
|
|
70 19G+4 0.00138 0.00000 -0.00504 0.00235 0.00000
|
|
71 19G-4 -0.00941 0.00000 0.00317 0.00580 0.00000
|
|
72 20G 0 -0.03933 0.00000 -0.06557 0.01601 0.00000
|
|
73 20G+1 0.00000 0.00855 0.00000 0.00000 -0.03965
|
|
74 20G-1 0.00000 -0.09133 0.00000 0.00000 0.04356
|
|
75 20G+2 -0.07423 0.00000 -0.07684 0.08889 0.00000
|
|
76 20G-2 0.01262 0.00000 0.02615 -0.04415 0.00000
|
|
77 20G+3 0.00000 -0.02235 0.00000 0.00000 -0.07851
|
|
78 20G-3 0.00000 0.08662 0.00000 0.00000 0.06489
|
|
79 20G+4 -0.08205 0.00000 -0.12948 0.02229 0.00000
|
|
80 20G-4 -0.05963 0.00000 -0.03254 0.03009 0.00000
|
|
81 21H 0 0.00000 0.01057 0.00000 0.00000 -0.02431
|
|
82 21H+1 -0.02072 0.00000 -0.00085 0.00861 0.00000
|
|
83 21H-1 -0.01171 0.00000 0.00426 0.00305 0.00000
|
|
84 21H+2 0.00000 -0.00950 0.00000 0.00000 0.00300
|
|
85 21H-2 0.00000 -0.00102 0.00000 0.00000 0.01250
|
|
86 21H+3 -0.00688 0.00000 -0.02871 0.01963 0.00000
|
|
87 21H-3 -0.00585 0.00000 -0.00786 0.00967 0.00000
|
|
88 21H+4 0.00000 0.00321 0.00000 0.00000 -0.01840
|
|
89 21H-4 0.00000 -0.01004 0.00000 0.00000 0.01232
|
|
90 21H+5 0.01238 0.00000 0.01634 -0.00572 0.00000
|
|
91 21H-5 0.00873 0.00000 -0.00590 0.00337 0.00000
|
|
92 2 S 1S 0.00423 0.00000 0.00289 0.01117 0.00000
|
|
93 2S -0.00475 0.00000 -0.00213 -0.00297 0.00000
|
|
94 3S 0.02518 0.00000 0.02071 0.09842 0.00000
|
|
95 4S -0.00520 0.00000 0.01234 0.24990 0.00000
|
|
96 5S 0.47751 0.00000 0.55636 -1.02570 0.00000
|
|
97 6S -2.07613 0.00000 -2.52622 1.16289 0.00000
|
|
98 7S -0.85683 0.00000 -4.86798 9.52235 0.00000
|
|
99 8PX 0.00579 0.00000 0.00123 -0.01118 0.00000
|
|
100 8PY -0.00827 0.00000 -0.00207 -0.04767 0.00000
|
|
101 8PZ 0.00000 0.01162 0.00000 0.00000 -0.00723
|
|
102 9PX -0.00816 0.00000 0.00335 0.02050 0.00000
|
|
103 9PY 0.02868 0.00000 0.01421 0.09937 0.00000
|
|
104 9PZ 0.00000 -0.01697 0.00000 0.00000 0.02915
|
|
105 10PX 0.02347 0.00000 0.05891 0.02066 0.00000
|
|
106 10PY 0.06358 0.00000 0.04571 0.07441 0.00000
|
|
107 10PZ 0.00000 0.01680 0.00000 0.00000 0.08129
|
|
108 11PX 0.18185 0.00000 -0.26418 0.05097 0.00000
|
|
109 11PY -0.25501 0.00000 -0.26035 -0.30189 0.00000
|
|
110 11PZ 0.00000 0.01189 0.00000 0.00000 -0.27476
|
|
111 12PX -6.18906 0.00000 -3.27033 -2.56444 0.00000
|
|
112 12PY 2.59493 0.00000 1.34064 9.25716 0.00000
|
|
113 12PZ 0.00000 -1.57597 0.00000 0.00000 1.45656
|
|
114 13PX -1.40892 0.00000 -0.35152 0.26384 0.00000
|
|
115 13PY 0.04544 0.00000 -0.80635 2.72974 0.00000
|
|
116 13PZ 0.00000 -0.78627 0.00000 0.00000 0.45910
|
|
117 14D 0 0.76567 0.00000 0.73417 -1.82245 0.00000
|
|
118 14D+1 0.00000 -1.60907 0.00000 0.00000 -0.90049
|
|
119 14D-1 0.00000 -0.56205 0.00000 0.00000 1.93725
|
|
120 14D+2 -2.84512 0.00000 -1.20301 -4.33246 0.00000
|
|
121 14D-2 -2.22254 0.00000 2.19515 1.46795 0.00000
|
|
122 15D 0 0.17405 0.00000 0.23237 0.02078 0.00000
|
|
123 15D+1 0.00000 -0.22732 0.00000 0.00000 -0.10405
|
|
124 15D-1 0.00000 0.00865 0.00000 0.00000 -0.05437
|
|
125 15D+2 -0.31111 0.00000 -0.18352 -0.26569 0.00000
|
|
126 15D-2 0.00204 0.00000 0.12608 0.12935 0.00000
|
|
127 16D 0 0.01073 0.00000 -0.03255 -0.03854 0.00000
|
|
128 16D+1 0.00000 -0.00648 0.00000 0.00000 -0.05145
|
|
129 16D-1 0.00000 -0.02196 0.00000 0.00000 0.01342
|
|
130 16D+2 0.03403 0.00000 0.02230 0.03845 0.00000
|
|
131 16D-2 -0.04636 0.00000 0.02621 0.01394 0.00000
|
|
132 17D 0 0.01138 0.00000 0.00715 -0.01266 0.00000
|
|
133 17D+1 0.00000 -0.02153 0.00000 0.00000 -0.01761
|
|
134 17D-1 0.00000 -0.00656 0.00000 0.00000 0.00576
|
|
135 17D+2 -0.01381 0.00000 -0.00077 -0.01492 0.00000
|
|
136 17D-2 -0.01698 0.00000 0.01665 0.01418 0.00000
|
|
137 18F 0 0.00000 0.43215 0.00000 0.00000 -0.27428
|
|
138 18F+1 0.58371 0.00000 0.27190 0.12354 0.00000
|
|
139 18F-1 0.03957 0.00000 0.17493 -0.62312 0.00000
|
|
140 18F+2 0.00000 -0.18330 0.00000 0.00000 -0.64014
|
|
141 18F-2 0.00000 0.02984 0.00000 0.00000 0.36779
|
|
142 18F+3 0.03407 0.00000 -0.62161 -0.52669 0.00000
|
|
143 18F-3 -0.14776 0.00000 0.68106 -0.21476 0.00000
|
|
144 19F 0 0.00000 0.14757 0.00000 0.00000 0.05794
|
|
145 19F+1 0.08600 0.00000 0.01438 0.02052 0.00000
|
|
146 19F-1 -0.07841 0.00000 -0.08145 -0.11758 0.00000
|
|
147 19F+2 0.00000 -0.16489 0.00000 0.00000 -0.10336
|
|
148 19F-2 0.00000 0.03857 0.00000 0.00000 -0.00471
|
|
149 19F+3 -0.06528 0.00000 -0.04894 0.05077 0.00000
|
|
150 19F-3 -0.03614 0.00000 0.02348 -0.02922 0.00000
|
|
151 20F 0 0.00000 -0.02748 0.00000 0.00000 -0.00185
|
|
152 20F+1 0.00205 0.00000 0.02096 0.00786 0.00000
|
|
153 20F-1 0.01952 0.00000 0.02774 0.02583 0.00000
|
|
154 20F+2 0.00000 0.02584 0.00000 0.00000 0.02738
|
|
155 20F-2 0.00000 -0.00788 0.00000 0.00000 0.01251
|
|
156 20F+3 -0.02230 0.00000 -0.00737 -0.02560 0.00000
|
|
157 20F-3 0.01574 0.00000 0.01427 0.02041 0.00000
|
|
158 21G 0 -0.03830 0.00000 -0.04186 0.06029 0.00000
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406 15G-4 -0.00011 -0.00033 -0.00088 0.00043 0.00048
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46 47 48 49 50
|
|
V V V V V
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Eigenvalues -- 0.80542 0.88855 0.88996 0.91406 0.95094
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1 1 C 1S 0.01547 0.00868 0.00000 0.00879 -0.01176
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2 2S -0.06070 0.02508 0.00000 0.00400 -0.02124
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3 3S -0.16467 0.21914 0.00000 0.10734 -0.19779
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4 4S 0.37788 0.23156 0.00000 0.27833 -0.82806
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5 5S 3.21750 -12.60924 0.00000 -7.92836 15.13319
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6 6S -3.73606 -10.51029 0.00000 -7.95211 13.33687
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10 8PX -0.14103 -0.35769 0.00000 0.16664 -0.08302
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12 8PZ 0.00000 0.00000 0.42623 0.00000 0.00000
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15 9PZ 0.00000 0.00000 -6.15986 0.00000 0.00000
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16 10PX 2.22311 11.69233 0.00000 -9.10527 4.00548
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17 10PY 6.27055 -5.59559 0.00000 -3.76832 13.22015
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18 10PZ 0.00000 0.00000 -16.21797 0.00000 0.00000
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19 11PX -2.04946 -2.11333 0.00000 -0.38518 -0.75327
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20 11PY 2.09736 -0.69026 0.00000 0.28816 0.06243
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21 11PZ 0.00000 0.00000 1.31096 0.00000 0.00000
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36 14D-2 1.06329 1.20358 0.00000 -0.46876 0.30364
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37 15D 0 1.45353 3.24438 0.00000 -3.98708 1.93232
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38 15D+1 0.00000 0.00000 -3.85089 0.00000 0.00000
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39 15D-1 0.00000 0.00000 -2.08160 0.00000 0.00000
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40 15D+2 1.06440 -3.36955 0.00000 1.71952 2.00017
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41 15D-2 2.49576 1.77995 0.00000 2.60473 0.86269
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42 16F 0 0.00000 0.00000 0.00680 0.00000 0.00000
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43 16F+1 0.00617 0.00606 0.00000 0.00649 -0.01100
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44 16F-1 -0.00943 -0.01758 0.00000 0.01785 -0.00433
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45 16F+2 0.00000 0.00000 0.00389 0.00000 0.00000
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46 16F-2 0.00000 0.00000 0.02844 0.00000 0.00000
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47 16F+3 0.00383 -0.00911 0.00000 0.01349 0.00300
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48 16F-3 0.01050 0.01368 0.00000 -0.00906 -0.00159
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49 17F 0 0.00000 0.00000 -0.09799 0.00000 0.00000
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50 17F+1 0.02119 -0.17695 0.00000 -0.12648 0.21680
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51 17F-1 0.19515 0.17917 0.00000 -0.28653 0.11387
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52 17F+2 0.00000 0.00000 -0.04815 0.00000 0.00000
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53 17F-2 0.00000 0.00000 -0.44323 0.00000 0.00000
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54 17F+3 -0.06015 0.17144 0.00000 -0.15775 -0.07905
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55 17F-3 -0.07865 -0.26921 0.00000 0.10169 0.09943
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56 18F 0 0.00000 0.00000 0.05709 0.00000 0.00000
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57 18F+1 -0.18275 -0.14464 0.00000 -0.01034 0.39482
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58 18F-1 0.76454 0.78669 0.00000 -0.21570 0.35707
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59 18F+2 0.00000 0.00000 0.25694 0.00000 0.00000
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60 18F-2 0.00000 0.00000 -0.76633 0.00000 0.00000
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61 18F+3 -0.28359 0.16835 0.00000 -0.09689 -0.35011
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62 18F-3 -0.85823 -0.83172 0.00000 -0.12032 0.26751
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67 19G-2 0.00689 -0.00841 0.00000 -0.01015 0.00343
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68 19G+3 0.00000 0.00000 0.00373 0.00000 0.00000
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69 19G-3 0.00000 0.00000 -0.00676 0.00000 0.00000
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70 19G+4 0.00150 -0.00382 0.00000 0.00673 0.00434
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75 20G+2 -0.12046 0.03671 0.00000 -0.02190 -0.03137
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76 20G-2 0.05705 -0.01229 0.00000 -0.03825 0.16638
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78 20G-3 0.00000 0.00000 -0.07725 0.00000 0.00000
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79 20G+4 -0.01266 -0.01378 0.00000 0.03807 -0.05644
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80 20G-4 0.05688 0.12957 0.00000 -0.02013 -0.02645
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81 21H 0 0.00000 0.00000 0.01637 0.00000 0.00000
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82 21H+1 0.00252 0.02126 0.00000 -0.01939 -0.00263
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83 21H-1 0.00681 0.00967 0.00000 -0.01184 0.00092
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84 21H+2 0.00000 0.00000 -0.00859 0.00000 0.00000
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85 21H-2 0.00000 0.00000 -0.01391 0.00000 0.00000
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86 21H+3 -0.01599 -0.00969 0.00000 0.00491 -0.00726
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87 21H-3 0.00367 0.00430 0.00000 0.00412 0.00722
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88 21H+4 0.00000 0.00000 0.00821 0.00000 0.00000
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89 21H-4 0.00000 0.00000 -0.00605 0.00000 0.00000
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90 21H+5 -0.00934 -0.00165 0.00000 -0.01426 0.00024
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91 21H-5 -0.00568 -0.01372 0.00000 0.00156 0.00422
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92 2 S 1S 0.01642 -0.01893 0.00000 -0.00645 0.02716
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93 2S -0.01237 0.01624 0.00000 0.00344 -0.02157
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94 3S 0.11491 -0.12509 0.00000 -0.04651 0.19511
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95 4S 0.18323 -0.14539 0.00000 -0.04451 0.30623
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96 5S -1.46993 1.45146 0.00000 0.15413 -1.28929
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97 6S 4.34769 -5.65875 0.00000 -1.21384 2.47928
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98 7S 7.50736 -6.03514 0.00000 -0.43110 1.10815
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99 8PX -0.00705 0.00162 0.00000 0.00644 0.01059
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100 8PY -0.01984 0.01238 0.00000 0.00468 -0.00441
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101 8PZ 0.00000 0.00000 0.01791 0.00000 0.00000
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102 9PX 0.00126 0.00907 0.00000 -0.01262 -0.03459
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103 9PY 0.04960 -0.03089 0.00000 -0.00547 0.03053
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104 9PZ 0.00000 0.00000 -0.02922 0.00000 0.00000
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105 10PX -0.10286 0.12527 0.00000 0.01206 -0.07679
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106 10PY 0.08657 -0.05433 0.00000 0.01273 0.13021
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107 10PZ 0.00000 0.00000 0.01033 0.00000 0.00000
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108 11PX 0.48355 -0.50021 0.00000 -0.34880 0.01956
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109 11PY -0.36910 0.27217 0.00000 -0.00391 -0.89179
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110 11PZ 0.00000 0.00000 -0.27909 0.00000 0.00000
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111 12PX 2.72277 -5.78781 0.00000 0.58616 -1.93057
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112 12PY 3.54098 -1.59132 0.00000 -0.62906 6.20915
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113 12PZ 0.00000 0.00000 0.70887 0.00000 0.00000
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114 13PX -0.04725 -0.98012 0.00000 -0.58951 -0.18734
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115 13PY 1.71717 -0.56639 0.00000 0.22278 -0.11025
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118 14D+1 0.00000 0.00000 -0.09617 0.00000 0.00000
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120 14D+2 -1.90264 -1.03678 0.00000 -0.40635 -2.90250
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121 14D-2 -0.63661 -0.38265 0.00000 0.43242 -0.11215
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124 15D-1 0.00000 0.00000 0.03657 0.00000 0.00000
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126 15D-2 -0.31787 0.09095 0.00000 -0.20949 -0.04044
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127 16D 0 0.00427 -0.03686 0.00000 0.00316 0.04288
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128 16D+1 0.00000 0.00000 -0.01415 0.00000 0.00000
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129 16D-1 0.00000 0.00000 -0.05626 0.00000 0.00000
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130 16D+2 -0.03011 0.05421 0.00000 -0.00160 0.01132
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131 16D-2 0.01586 -0.01082 0.00000 -0.02678 0.00901
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132 17D 0 -0.01476 0.01002 0.00000 -0.00509 -0.01005
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133 17D+1 0.00000 0.00000 0.00015 0.00000 0.00000
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134 17D-1 0.00000 0.00000 -0.00537 0.00000 0.00000
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135 17D+2 -0.01188 -0.00404 0.00000 0.00389 0.00149
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136 17D-2 -0.01886 -0.00261 0.00000 -0.02263 -0.00571
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137 18F 0 0.00000 0.00000 -0.12586 0.00000 0.00000
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138 18F+1 -0.14019 0.55320 0.00000 0.25984 0.65633
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139 18F-1 0.09995 0.21401 0.00000 0.34234 -0.88980
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141 18F-2 0.00000 0.00000 0.23217 0.00000 0.00000
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142 18F+3 -0.03911 -0.16282 0.00000 -0.56560 0.32628
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143 18F-3 -0.70251 -0.07948 0.00000 -0.43719 -0.99021
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144 19F 0 0.00000 0.00000 -0.02420 0.00000 0.00000
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146 19F-1 -0.06089 0.02518 0.00000 -0.03186 0.09743
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147 19F+2 0.00000 0.00000 0.04336 0.00000 0.00000
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148 19F-2 0.00000 0.00000 -0.09554 0.00000 0.00000
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149 19F+3 0.03021 -0.20915 0.00000 -0.00548 0.06009
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150 19F-3 -0.32144 0.03796 0.00000 -0.09383 0.07936
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151 20F 0 0.00000 0.00000 0.00194 0.00000 0.00000
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153 20F-1 0.02474 -0.00817 0.00000 0.01439 -0.03420
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154 20F+2 0.00000 0.00000 -0.01587 0.00000 0.00000
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155 20F-2 0.00000 0.00000 0.03221 0.00000 0.00000
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157 20F-3 0.05466 0.00582 0.00000 0.01247 -0.02775
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162 21G-2 0.08187 0.03513 0.00000 0.02137 0.03086
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163 21G+3 0.00000 0.00000 0.01533 0.00000 0.00000
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164 21G-3 0.00000 0.00000 -0.04420 0.00000 0.00000
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165 21G+4 0.08540 -0.03147 0.00000 0.03506 0.18539
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166 21G-4 -0.17080 -0.03873 0.00000 -0.20065 0.04450
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167 22G 0 0.01734 -0.00979 0.00000 -0.00022 0.00311
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169 22G-1 0.00000 0.00000 0.00345 0.00000 0.00000
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170 22G+2 -0.00973 0.01715 0.00000 0.00137 -0.00970
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254 8PY 0.13637 -0.53692 0.00000 0.52720 0.09899
|
|
255 8PZ 0.00000 0.00000 -0.07774 0.00000 0.00000
|
|
256 9PX 0.56709 8.38787 0.00000 -4.00138 -2.63288
|
|
257 9PY 1.56136 -1.14323 0.00000 3.76115 0.08612
|
|
258 9PZ 0.00000 0.00000 -1.30566 0.00000 0.00000
|
|
259 10D 0 -0.00059 0.00729 0.00000 -0.00038 -0.00296
|
|
260 10D+1 0.00000 0.00000 0.00252 0.00000 0.00000
|
|
261 10D-1 0.00000 0.00000 -0.00021 0.00000 0.00000
|
|
262 10D+2 -0.00277 -0.01255 0.00000 0.00747 0.00481
|
|
263 10D-2 0.00414 0.00769 0.00000 -0.00142 -0.00386
|
|
264 11D 0 -0.01533 -0.09866 0.00000 0.02171 0.03303
|
|
265 11D+1 0.00000 0.00000 -0.01681 0.00000 0.00000
|
|
266 11D-1 0.00000 0.00000 0.00318 0.00000 0.00000
|
|
267 11D+2 0.04367 0.15353 0.00000 -0.07269 -0.05052
|
|
268 11D-2 -0.03300 -0.09747 0.00000 0.03052 0.02733
|
|
269 12D 0 -0.06524 -0.62556 0.00000 0.58860 0.17991
|
|
270 12D+1 0.00000 0.00000 -0.31010 0.00000 0.00000
|
|
271 12D-1 0.00000 0.00000 0.09796 0.00000 0.00000
|
|
272 12D+2 0.30688 1.10371 0.00000 -0.33275 -0.38666
|
|
273 12D-2 0.39364 -0.30627 0.00000 0.79401 0.07708
|
|
274 13F 0 0.00000 0.00000 0.00058 0.00000 0.00000
|
|
275 13F+1 -0.00032 -0.00448 0.00000 -0.00257 0.00222
|
|
276 13F-1 0.00226 0.00487 0.00000 0.00398 0.00010
|
|
277 13F+2 0.00000 0.00000 0.00212 0.00000 0.00000
|
|
278 13F-2 0.00000 0.00000 -0.00287 0.00000 0.00000
|
|
279 13F+3 -0.00056 0.00092 0.00000 -0.00241 -0.00072
|
|
280 13F-3 -0.00297 -0.00553 0.00000 0.00060 0.00063
|
|
281 14F 0 0.00000 0.00000 0.03405 0.00000 0.00000
|
|
282 14F+1 -0.00371 -0.08367 0.00000 0.07648 0.02917
|
|
283 14F-1 -0.02886 -0.00595 0.00000 -0.05136 -0.00533
|
|
284 14F+2 0.00000 0.00000 -0.05131 0.00000 0.00000
|
|
285 14F-2 0.00000 0.00000 0.03838 0.00000 0.00000
|
|
286 14F+3 0.05032 0.11948 0.00000 0.00277 -0.04499
|
|
287 14F-3 0.04467 -0.05619 0.00000 0.09122 0.02464
|
|
288 15G 0 -0.00068 0.00305 0.00000 -0.00210 -0.00133
|
|
289 15G+1 0.00000 0.00000 0.00393 0.00000 0.00000
|
|
290 15G-1 0.00000 0.00000 -0.00032 0.00000 0.00000
|
|
291 15G+2 0.00005 -0.00473 0.00000 0.00214 0.00223
|
|
292 15G-2 -0.00262 0.00123 0.00000 -0.00300 -0.00045
|
|
293 15G+3 0.00000 0.00000 -0.00296 0.00000 0.00000
|
|
294 15G-3 0.00000 0.00000 0.00209 0.00000 0.00000
|
|
295 15G+4 0.00300 0.00552 0.00000 0.00225 -0.00177
|
|
296 15G-4 0.00276 -0.00459 0.00000 0.00518 0.00227
|
|
297 5 H 1S 0.00897 -0.00023 -0.00799 -0.00082 0.01564
|
|
298 2S 0.14399 0.02854 -0.43891 -0.24551 0.14868
|
|
299 3S -1.75348 -1.40071 4.67800 2.02088 -2.10257
|
|
300 4S -3.63706 0.44982 19.53856 12.38155 -13.08042
|
|
301 5S 0.50466 2.16717 -2.46294 -0.21895 0.34879
|
|
302 6PX 0.00110 -0.00204 -0.00568 0.00023 0.00043
|
|
303 6PY -0.00043 -0.00107 -0.00273 -0.00294 -0.00157
|
|
304 6PZ 0.00056 -0.00160 -0.00488 -0.00474 0.00403
|
|
305 7PX -0.01715 0.00292 0.05033 0.02353 -0.00577
|
|
306 7PY 0.00593 0.00729 0.02791 0.03101 0.00809
|
|
307 7PZ -0.01783 0.01567 0.07238 0.04515 -0.03250
|
|
308 8PX 0.49940 0.29975 -0.98960 -0.57509 0.36459
|
|
309 8PY 0.05427 0.12334 -0.71798 -0.45382 0.20223
|
|
310 8PZ 0.56157 0.19087 -1.87394 -0.83391 0.82230
|
|
311 9PX 1.53773 1.33858 -3.09287 -4.06704 1.72164
|
|
312 9PY -1.00340 0.18878 -2.69102 -2.68718 0.44065
|
|
313 9PZ 1.44755 -1.06796 -7.09221 -2.86910 3.87223
|
|
314 10D 0 0.00087 -0.00202 -0.00862 -0.00493 -0.00038
|
|
315 10D+1 0.00738 0.00180 -0.00674 -0.00339 0.00218
|
|
316 10D-1 0.00260 0.00216 -0.00688 -0.00150 0.00427
|
|
317 10D+2 0.00016 0.00081 -0.00275 -0.00297 -0.00059
|
|
318 10D-2 0.00106 0.00010 -0.00404 -0.00424 0.00061
|
|
319 11D 0 -0.02223 0.00029 0.09356 0.04384 -0.02738
|
|
320 11D+1 -0.06529 -0.02600 0.09357 0.04551 -0.04388
|
|
321 11D-1 -0.02780 -0.02250 0.08568 0.03002 -0.04684
|
|
322 11D+2 -0.00804 -0.00894 0.01865 0.01725 0.00215
|
|
323 11D-2 -0.01516 -0.01089 0.04614 0.03873 -0.01469
|
|
324 12D 0 -0.20957 0.30519 0.86837 -0.04298 -0.46057
|
|
325 12D+1 -0.39549 -0.22619 0.86493 0.75853 -0.27256
|
|
326 12D-1 0.18217 0.06692 0.61633 0.48263 -0.02337
|
|
327 12D+2 -0.34522 -0.13526 0.03595 0.13479 -0.13243
|
|
328 12D-2 0.01390 -0.12005 0.25883 0.38328 -0.03007
|
|
329 13F 0 -0.00003 0.00295 0.00119 -0.00319 -0.00142
|
|
330 13F+1 -0.00088 -0.00051 -0.00089 -0.00054 0.00331
|
|
331 13F-1 0.00256 0.00188 -0.00199 -0.00265 0.00312
|
|
332 13F+2 -0.00133 0.00001 0.00075 0.00115 -0.00098
|
|
333 13F-2 0.00294 -0.00031 -0.00282 0.00097 0.00246
|
|
334 13F+3 -0.00273 -0.00044 0.00043 0.00144 -0.00133
|
|
335 13F-3 -0.00246 0.00009 -0.00293 0.00019 -0.00056
|
|
336 14F 0 0.01261 -0.06655 -0.06209 0.07167 0.04517
|
|
337 14F+1 0.06593 0.00318 -0.11106 -0.06421 0.03083
|
|
338 14F-1 -0.01686 -0.03361 -0.08402 -0.02431 0.01010
|
|
339 14F+2 0.07075 0.02953 -0.01986 -0.04089 0.02272
|
|
340 14F-2 -0.00123 0.01931 -0.05689 -0.08760 0.00538
|
|
341 14F+3 0.03435 0.00468 0.00480 0.00115 0.01083
|
|
342 14F-3 0.03258 0.01861 -0.00100 -0.03220 0.00953
|
|
343 15G 0 -0.00035 0.00278 0.00102 -0.00673 -0.00155
|
|
344 15G+1 -0.00265 0.00275 0.00555 0.00040 -0.00244
|
|
345 15G-1 -0.00021 0.00316 0.00463 -0.00009 -0.00129
|
|
346 15G+2 -0.00496 -0.00208 0.00106 0.00262 -0.00129
|
|
347 15G-2 -0.00094 0.00075 0.00497 0.00529 -0.00127
|
|
348 15G+3 -0.00262 -0.00091 -0.00080 -0.00023 -0.00062
|
|
349 15G-3 -0.00281 -0.00170 0.00188 0.00311 -0.00087
|
|
350 15G+4 -0.00001 0.00060 -0.00025 -0.00040 0.00018
|
|
351 15G-4 -0.00135 -0.00098 0.00012 0.00083 -0.00036
|
|
352 6 H 1S 0.00897 -0.00023 0.00799 -0.00082 0.01564
|
|
353 2S 0.14399 0.02854 0.43891 -0.24551 0.14868
|
|
354 3S -1.75348 -1.40071 -4.67800 2.02088 -2.10257
|
|
355 4S -3.63706 0.44982 -19.53856 12.38155 -13.08042
|
|
356 5S 0.50466 2.16717 2.46294 -0.21895 0.34879
|
|
357 6PX 0.00110 -0.00204 0.00568 0.00023 0.00043
|
|
358 6PY -0.00043 -0.00107 0.00273 -0.00294 -0.00157
|
|
359 6PZ -0.00056 0.00160 -0.00488 0.00474 -0.00403
|
|
360 7PX -0.01715 0.00292 -0.05033 0.02353 -0.00577
|
|
361 7PY 0.00593 0.00729 -0.02791 0.03101 0.00809
|
|
362 7PZ 0.01783 -0.01567 0.07238 -0.04515 0.03250
|
|
363 8PX 0.49940 0.29975 0.98960 -0.57509 0.36459
|
|
364 8PY 0.05427 0.12334 0.71798 -0.45382 0.20223
|
|
365 8PZ -0.56157 -0.19087 -1.87394 0.83391 -0.82230
|
|
366 9PX 1.53773 1.33858 3.09287 -4.06704 1.72164
|
|
367 9PY -1.00340 0.18878 2.69102 -2.68718 0.44065
|
|
368 9PZ -1.44755 1.06796 -7.09221 2.86910 -3.87223
|
|
369 10D 0 0.00087 -0.00202 0.00862 -0.00493 -0.00038
|
|
370 10D+1 -0.00738 -0.00180 -0.00674 0.00339 -0.00218
|
|
371 10D-1 -0.00260 -0.00216 -0.00688 0.00150 -0.00427
|
|
372 10D+2 0.00016 0.00081 0.00275 -0.00297 -0.00059
|
|
373 10D-2 0.00106 0.00010 0.00404 -0.00424 0.00061
|
|
374 11D 0 -0.02223 0.00029 -0.09356 0.04384 -0.02738
|
|
375 11D+1 0.06529 0.02600 0.09357 -0.04551 0.04388
|
|
376 11D-1 0.02780 0.02250 0.08568 -0.03002 0.04684
|
|
377 11D+2 -0.00804 -0.00894 -0.01865 0.01725 0.00215
|
|
378 11D-2 -0.01516 -0.01089 -0.04614 0.03873 -0.01469
|
|
379 12D 0 -0.20957 0.30519 -0.86837 -0.04298 -0.46057
|
|
380 12D+1 0.39549 0.22619 0.86493 -0.75853 0.27256
|
|
381 12D-1 -0.18217 -0.06692 0.61633 -0.48263 0.02337
|
|
382 12D+2 -0.34522 -0.13526 -0.03595 0.13479 -0.13243
|
|
383 12D-2 0.01390 -0.12005 -0.25883 0.38328 -0.03007
|
|
384 13F 0 0.00003 -0.00295 0.00119 0.00319 0.00142
|
|
385 13F+1 -0.00088 -0.00051 0.00089 -0.00054 0.00331
|
|
386 13F-1 0.00256 0.00188 0.00199 -0.00265 0.00312
|
|
387 13F+2 0.00133 -0.00001 0.00075 -0.00115 0.00098
|
|
388 13F-2 -0.00294 0.00031 -0.00282 -0.00097 -0.00246
|
|
389 13F+3 -0.00273 -0.00044 -0.00043 0.00144 -0.00133
|
|
390 13F-3 -0.00246 0.00009 0.00293 0.00019 -0.00056
|
|
391 14F 0 -0.01261 0.06655 -0.06209 -0.07167 -0.04517
|
|
392 14F+1 0.06593 0.00318 0.11106 -0.06421 0.03083
|
|
393 14F-1 -0.01686 -0.03361 0.08402 -0.02431 0.01010
|
|
394 14F+2 -0.07075 -0.02953 -0.01986 0.04089 -0.02272
|
|
395 14F-2 0.00123 -0.01931 -0.05689 0.08760 -0.00538
|
|
396 14F+3 0.03435 0.00468 -0.00480 0.00115 0.01083
|
|
397 14F-3 0.03258 0.01861 0.00100 -0.03220 0.00953
|
|
398 15G 0 -0.00035 0.00278 -0.00102 -0.00673 -0.00155
|
|
399 15G+1 0.00265 -0.00275 0.00555 -0.00040 0.00244
|
|
400 15G-1 0.00021 -0.00316 0.00463 0.00009 0.00129
|
|
401 15G+2 -0.00496 -0.00208 -0.00106 0.00262 -0.00129
|
|
402 15G-2 -0.00094 0.00075 -0.00497 0.00529 -0.00127
|
|
403 15G+3 0.00262 0.00091 -0.00080 0.00023 0.00062
|
|
404 15G-3 0.00281 0.00170 0.00188 -0.00311 0.00087
|
|
405 15G+4 -0.00001 0.00060 0.00025 -0.00040 0.00018
|
|
406 15G-4 -0.00135 -0.00098 -0.00012 0.00083 -0.00036
|
|
51 52 53 54 55
|
|
V V V V V
|
|
Eigenvalues -- 0.95271 0.98443 1.01408 1.02465 1.03002
|
|
1 1 C 1S 0.00000 -0.02019 -0.03127 0.01654 0.00000
|
|
2 2S 0.00000 -0.01437 0.01421 -0.01667 0.00000
|
|
3 3S 0.00000 -0.26284 -0.24457 0.06643 0.00000
|
|
4 4S 0.00000 -0.77956 -0.31621 0.62867 0.00000
|
|
5 5S 0.00000 16.34236 13.43801 -7.23699 0.00000
|
|
6 6S 0.00000 9.03774 11.89160 -5.85609 0.00000
|
|
7 7PX 0.00000 0.01026 -0.05769 0.00814 0.00000
|
|
8 7PY 0.00000 -0.00611 0.00957 -0.00245 0.00000
|
|
9 7PZ -0.01717 0.00000 0.00000 0.00000 0.02032
|
|
10 8PX 0.00000 0.16979 -0.44957 0.19479 0.00000
|
|
11 8PY 0.00000 -0.11973 -0.06242 0.02280 0.00000
|
|
12 8PZ -0.12057 0.00000 0.00000 0.00000 -0.05800
|
|
13 9PX 0.00000 -2.84514 2.46532 -1.71687 0.00000
|
|
14 9PY 0.00000 1.51141 1.84480 -0.57823 0.00000
|
|
15 9PZ -0.26113 0.00000 0.00000 0.00000 2.31293
|
|
16 10PX 0.00000 -6.89918 11.64328 -3.79918 0.00000
|
|
17 10PY 0.00000 3.53352 1.18500 1.29675 0.00000
|
|
18 10PZ 2.80285 0.00000 0.00000 0.00000 0.40860
|
|
19 11PX 0.00000 -0.48312 -0.53032 -0.38587 0.00000
|
|
20 11PY 0.00000 0.13882 -0.83263 0.19126 0.00000
|
|
21 11PZ -0.57100 0.00000 0.00000 0.00000 0.91006
|
|
22 12D 0 0.00000 0.00543 -0.00649 0.00583 0.00000
|
|
23 12D+1 0.00332 0.00000 0.00000 0.00000 -0.01223
|
|
24 12D-1 0.00816 0.00000 0.00000 0.00000 -0.01168
|
|
25 12D+2 0.00000 -0.01000 -0.01098 0.00052 0.00000
|
|
26 12D-2 0.00000 0.00253 -0.00037 0.00586 0.00000
|
|
27 13D 0 0.00000 -0.06251 0.02031 -0.00221 0.00000
|
|
28 13D+1 0.01579 0.00000 0.00000 0.00000 0.07903
|
|
29 13D-1 -0.05086 0.00000 0.00000 0.00000 0.03462
|
|
30 13D+2 0.00000 0.05305 0.07116 -0.01526 0.00000
|
|
31 13D-2 0.00000 -0.00649 -0.04680 0.00875 0.00000
|
|
32 14D 0 0.00000 1.07764 0.61639 -1.13394 0.00000
|
|
33 14D+1 -1.99391 0.00000 0.00000 0.00000 -0.07115
|
|
34 14D-1 0.99106 0.00000 0.00000 0.00000 0.67254
|
|
35 14D+2 0.00000 0.76659 0.03500 0.24927 0.00000
|
|
36 14D-2 0.00000 -1.27662 1.53693 -0.47668 0.00000
|
|
37 15D 0 0.00000 4.10299 -0.91090 -1.57181 0.00000
|
|
38 15D+1 -5.24362 0.00000 0.00000 0.00000 -2.33921
|
|
39 15D-1 5.50247 0.00000 0.00000 0.00000 4.46549
|
|
40 15D+2 0.00000 -0.24580 -0.80666 0.49896 0.00000
|
|
41 15D-2 0.00000 -4.13159 5.63506 -1.34259 0.00000
|
|
42 16F 0 0.00661 0.00000 0.00000 0.00000 0.00374
|
|
43 16F+1 0.00000 -0.01208 -0.00645 0.00741 0.00000
|
|
44 16F-1 0.00000 -0.00388 -0.00766 0.00960 0.00000
|
|
45 16F+2 0.01054 0.00000 0.00000 0.00000 0.00245
|
|
46 16F-2 0.00906 0.00000 0.00000 0.00000 0.00410
|
|
47 16F+3 0.00000 -0.00076 -0.00163 0.00415 0.00000
|
|
48 16F-3 0.00000 -0.00280 0.00069 0.00021 0.00000
|
|
49 17F 0 -0.08673 0.00000 0.00000 0.00000 -0.02062
|
|
50 17F+1 0.00000 0.28949 0.21668 -0.13457 0.00000
|
|
51 17F-1 0.00000 0.08182 0.16571 -0.13928 0.00000
|
|
52 17F+2 -0.12903 0.00000 0.00000 0.00000 -0.01073
|
|
53 17F-2 -0.11039 0.00000 0.00000 0.00000 0.03808
|
|
54 17F+3 0.00000 -0.06742 -0.03981 -0.03805 0.00000
|
|
55 17F-3 0.00000 0.13995 0.04176 -0.00287 0.00000
|
|
56 18F 0 -0.26387 0.00000 0.00000 0.00000 0.01310
|
|
57 18F+1 0.00000 0.56321 0.20904 -0.47192 0.00000
|
|
58 18F-1 0.00000 0.60651 0.32960 -0.38914 0.00000
|
|
59 18F+2 -0.36053 0.00000 0.00000 0.00000 0.19128
|
|
60 18F-2 -0.41164 0.00000 0.00000 0.00000 -0.07423
|
|
61 18F+3 0.00000 0.24690 0.12457 -0.25083 0.00000
|
|
62 18F-3 0.00000 -0.07394 0.16369 0.14989 0.00000
|
|
63 19G 0 0.00000 0.00957 -0.00690 0.00162 0.00000
|
|
64 19G+1 -0.00128 0.00000 0.00000 0.00000 0.01189
|
|
65 19G-1 -0.00259 0.00000 0.00000 0.00000 0.00929
|
|
66 19G+2 0.00000 -0.00547 -0.00383 -0.00258 0.00000
|
|
67 19G-2 0.00000 0.00936 0.01463 -0.00411 0.00000
|
|
68 19G+3 -0.00886 0.00000 0.00000 0.00000 -0.00609
|
|
69 19G-3 -0.00201 0.00000 0.00000 0.00000 0.00442
|
|
70 19G+4 0.00000 0.00157 -0.00149 0.00219 0.00000
|
|
71 19G-4 0.00000 -0.00929 -0.00374 -0.00257 0.00000
|
|
72 20G 0 0.00000 0.12934 -0.12871 0.01907 0.00000
|
|
73 20G+1 0.04658 0.00000 0.00000 0.00000 0.00208
|
|
74 20G-1 0.07174 0.00000 0.00000 0.00000 -0.01062
|
|
75 20G+2 0.00000 -0.05052 0.13848 -0.06685 0.00000
|
|
76 20G-2 0.00000 0.05493 0.11009 -0.07823 0.00000
|
|
77 20G+3 -0.12474 0.00000 0.00000 0.00000 -0.01164
|
|
78 20G-3 -0.00166 0.00000 0.00000 0.00000 0.01955
|
|
79 20G+4 0.00000 0.00227 -0.02793 0.02379 0.00000
|
|
80 20G-4 0.00000 -0.09971 0.11173 -0.02989 0.00000
|
|
81 21H 0 0.00753 0.00000 0.00000 0.00000 0.00383
|
|
82 21H+1 0.00000 0.02222 -0.00326 -0.01086 0.00000
|
|
83 21H-1 0.00000 0.02312 -0.01049 -0.00421 0.00000
|
|
84 21H+2 -0.04067 0.00000 0.00000 0.00000 -0.00777
|
|
85 21H-2 0.01449 0.00000 0.00000 0.00000 0.00146
|
|
86 21H+3 0.00000 0.00162 -0.00788 0.00375 0.00000
|
|
87 21H-3 0.00000 -0.01079 0.02387 -0.00852 0.00000
|
|
88 21H+4 -0.00205 0.00000 0.00000 0.00000 -0.00138
|
|
89 21H-4 -0.02179 0.00000 0.00000 0.00000 -0.00285
|
|
90 21H+5 0.00000 0.00929 -0.00637 -0.00422 0.00000
|
|
91 21H-5 0.00000 0.01078 -0.01366 0.00398 0.00000
|
|
92 2 S 1S 0.00000 0.00028 -0.01253 -0.01256 0.00000
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348 15G+3 -0.00683 0.00133 0.00163 -0.00129 -0.00063
|
|
349 15G-3 -0.00244 -0.00347 0.00040 0.00074 -0.00258
|
|
350 15G+4 -0.00195 0.00140 0.00019 -0.00085 0.00025
|
|
351 15G-4 -0.00248 -0.00056 0.00036 0.00017 -0.00096
|
|
352 6 H 1S -0.00827 0.00308 -0.00276 0.00394 0.01491
|
|
353 2S 0.05356 0.11715 0.22225 -0.11001 -0.13545
|
|
354 3S -0.73712 -1.96823 -2.75994 2.22374 0.96587
|
|
355 4S 0.39705 -3.25429 -12.06890 5.23212 2.60920
|
|
356 5S -0.57814 -0.43341 0.61495 0.24069 0.97229
|
|
357 6PX -0.00220 0.00534 -0.00346 0.00103 -0.00213
|
|
358 6PY 0.00218 -0.00074 -0.00105 0.00010 0.00270
|
|
359 6PZ -0.00082 0.00181 -0.00365 -0.00129 0.00217
|
|
360 7PX 0.02189 -0.05022 0.01150 0.00473 0.02559
|
|
361 7PY -0.03619 -0.01181 -0.00089 0.01003 -0.00585
|
|
362 7PZ 0.01775 -0.00664 0.04912 -0.00356 -0.03413
|
|
363 8PX -0.16735 0.60735 0.28131 -0.35517 -0.22978
|
|
364 8PY 0.34130 0.34124 0.37791 -0.35107 -0.08890
|
|
365 8PZ -0.27929 -0.33194 -1.13385 0.61440 0.38017
|
|
366 9PX -2.79404 3.33098 -0.30031 -0.93099 -1.98785
|
|
367 9PY 3.12062 2.03521 0.53630 -1.35569 0.96237
|
|
368 9PZ -0.69743 1.23438 -5.55359 1.35089 1.38115
|
|
369 10D 0 0.00312 0.00315 0.00137 -0.00329 -0.00274
|
|
370 10D+1 -0.00154 -0.00369 -0.00787 0.00455 0.00330
|
|
371 10D-1 -0.00224 -0.00193 -0.00632 0.00245 0.00681
|
|
372 10D+2 0.00371 -0.00085 0.00190 -0.00002 0.00303
|
|
373 10D-2 -0.00181 0.00260 -0.00080 -0.00239 -0.00398
|
|
374 11D 0 -0.02076 -0.03209 -0.04373 0.04215 0.01988
|
|
375 11D+1 0.00283 0.04336 0.07532 -0.05125 -0.01920
|
|
376 11D-1 0.02261 0.02948 0.07127 -0.03741 -0.03509
|
|
377 11D+2 -0.01870 -0.00063 -0.00756 0.00278 -0.01986
|
|
378 11D-2 0.00988 -0.03389 -0.00809 0.02529 0.02130
|
|
379 12D 0 -0.23583 0.67481 -0.94781 0.02854 0.19662
|
|
380 12D+1 -0.37816 0.48656 0.05350 -0.18005 -0.36857
|
|
381 12D-1 0.62471 0.28669 0.26076 -0.28357 -0.03726
|
|
382 12D+2 0.70619 -0.20290 0.14021 -0.03457 0.30624
|
|
383 12D-2 -0.19786 -0.32032 -0.04062 0.12874 0.04259
|
|
384 13F 0 0.00126 -0.00812 0.00479 0.00213 0.00145
|
|
385 13F+1 -0.00062 0.00199 0.00481 -0.00219 -0.00062
|
|
386 13F-1 -0.00122 -0.00001 0.00285 -0.00099 0.00107
|
|
387 13F+2 -0.00623 0.00121 -0.00080 0.00097 -0.00181
|
|
388 13F-2 0.00241 -0.00199 -0.00299 0.00183 -0.00109
|
|
389 13F+3 0.00406 -0.00003 0.00128 -0.00084 0.00178
|
|
390 13F-3 0.00147 0.00037 0.00044 -0.00027 0.00015
|
|
391 14F 0 -0.03135 0.14222 -0.12003 -0.01878 0.00125
|
|
392 14F+1 -0.02135 0.01505 0.03869 -0.01867 -0.04034
|
|
393 14F-1 0.08021 0.01194 0.05830 -0.02902 -0.02710
|
|
394 14F+2 0.13942 -0.03333 0.02285 -0.00884 0.04079
|
|
395 14F-2 -0.03973 -0.06517 -0.00803 0.02769 0.03255
|
|
396 14F+3 -0.07226 -0.01089 -0.01548 0.01475 -0.01730
|
|
397 14F-3 -0.02748 0.03326 -0.00877 -0.00833 -0.01837
|
|
398 15G 0 -0.00071 0.00728 -0.00460 -0.00166 -0.00071
|
|
399 15G+1 0.00013 -0.00242 0.00539 -0.00052 -0.00187
|
|
400 15G-1 0.00287 -0.00225 0.00431 -0.00072 -0.00135
|
|
401 15G+2 0.00795 -0.00128 0.00042 -0.00042 0.00233
|
|
402 15G-2 -0.00219 -0.00381 -0.00283 0.00199 0.00247
|
|
403 15G+3 -0.00683 -0.00133 -0.00163 0.00129 -0.00063
|
|
404 15G-3 -0.00244 0.00347 -0.00040 -0.00074 -0.00258
|
|
405 15G+4 0.00195 0.00140 0.00019 -0.00085 -0.00025
|
|
406 15G-4 0.00248 -0.00056 0.00036 0.00017 0.00096
|
|
56 57 58 59 60
|
|
V V V V V
|
|
Eigenvalues -- 1.05601 1.06040 1.08058 1.10806 1.14975
|
|
1 1 C 1S 0.00000 -0.04437 0.00000 -0.02345 -0.03604
|
|
2 2S 0.00000 0.03872 0.00000 0.02394 0.06658
|
|
3 3S 0.00000 -0.22139 0.00000 -0.09567 0.03326
|
|
4 4S 0.00000 -1.33557 0.00000 -0.76391 -0.36953
|
|
5 5S 0.00000 20.10359 0.00000 9.91296 -1.20904
|
|
6 6S 0.00000 17.09988 0.00000 5.80433 -2.33514
|
|
7 7PX 0.00000 0.06050 0.00000 -0.05600 0.00097
|
|
8 7PY 0.00000 0.02391 0.00000 0.04092 0.06554
|
|
9 7PZ -0.06713 0.00000 -0.07478 0.00000 0.00000
|
|
10 8PX 0.00000 0.37900 0.00000 -0.11469 0.06667
|
|
11 8PY 0.00000 0.02434 0.00000 0.10451 0.07012
|
|
12 8PZ -0.51770 0.00000 -0.31369 0.00000 0.00000
|
|
13 9PX 0.00000 0.15049 0.00000 -1.82270 -1.12889
|
|
14 9PY 0.00000 1.67426 0.00000 0.41458 0.45081
|
|
15 9PZ 1.44271 0.00000 -0.36945 0.00000 0.00000
|
|
16 10PX 0.00000 -8.30681 0.00000 4.84124 -4.44328
|
|
17 10PY 0.00000 -0.20900 0.00000 -2.68867 -0.38751
|
|
18 10PZ 11.56978 0.00000 9.79927 0.00000 0.00000
|
|
19 11PX 0.00000 0.53951 0.00000 -0.34129 -0.54533
|
|
20 11PY 0.00000 -0.76398 0.00000 0.64189 1.47317
|
|
21 11PZ -0.02544 0.00000 -1.31948 0.00000 0.00000
|
|
22 12D 0 0.00000 -0.01989 0.00000 0.00600 -0.00288
|
|
23 12D+1 0.00740 0.00000 0.01156 0.00000 0.00000
|
|
24 12D-1 0.00110 0.00000 0.00995 0.00000 0.00000
|
|
25 12D+2 0.00000 -0.00615 0.00000 -0.01738 -0.01277
|
|
26 12D-2 0.00000 -0.00540 0.00000 0.00696 0.00153
|
|
27 13D 0 0.00000 0.14698 0.00000 -0.04283 -0.01017
|
|
28 13D+1 -0.09982 0.00000 -0.06999 0.00000 0.00000
|
|
29 13D-1 -0.08147 0.00000 -0.07013 0.00000 0.00000
|
|
30 13D+2 0.00000 -0.01345 0.00000 0.07520 0.04322
|
|
31 13D-2 0.00000 0.07094 0.00000 -0.02895 -0.00790
|
|
32 14D 0 0.00000 -0.42739 0.00000 -0.42684 -0.05666
|
|
33 14D+1 1.49849 0.00000 -0.34155 0.00000 0.00000
|
|
34 14D-1 0.75762 0.00000 0.25147 0.00000 0.00000
|
|
35 14D+2 0.00000 1.12010 0.00000 0.72802 -0.45421
|
|
36 14D-2 0.00000 0.02392 0.00000 -0.33626 -0.51408
|
|
37 15D 0 0.00000 -2.49137 0.00000 0.29199 1.23346
|
|
38 15D+1 3.76693 0.00000 -0.46696 0.00000 0.00000
|
|
39 15D-1 1.76061 0.00000 0.57580 0.00000 0.00000
|
|
40 15D+2 0.00000 1.88755 0.00000 0.82635 -0.37357
|
|
41 15D-2 0.00000 0.84208 0.00000 -3.10756 -0.87604
|
|
42 16F 0 -0.00903 0.00000 -0.00478 0.00000 0.00000
|
|
43 16F+1 0.00000 -0.01030 0.00000 -0.00987 -0.00394
|
|
44 16F-1 0.00000 0.00050 0.00000 -0.00291 -0.00493
|
|
45 16F+2 -0.00695 0.00000 -0.00998 0.00000 0.00000
|
|
46 16F-2 -0.01444 0.00000 -0.00372 0.00000 0.00000
|
|
47 16F+3 0.00000 0.01786 0.00000 -0.00512 0.00188
|
|
48 16F-3 0.00000 -0.01051 0.00000 -0.00555 -0.00824
|
|
49 17F 0 0.09564 0.00000 0.02342 0.00000 0.00000
|
|
50 17F+1 0.00000 0.27010 0.00000 0.17883 -0.01010
|
|
51 17F-1 0.00000 0.11530 0.00000 -0.03391 0.02154
|
|
52 17F+2 0.08077 0.00000 0.09236 0.00000 0.00000
|
|
53 17F-2 0.12472 0.00000 -0.06111 0.00000 0.00000
|
|
54 17F+3 0.00000 -0.21916 0.00000 -0.01005 -0.01049
|
|
55 17F-3 0.00000 0.12567 0.00000 0.14172 0.06138
|
|
56 18F 0 0.45584 0.00000 0.00463 0.00000 0.00000
|
|
57 18F+1 0.00000 0.59139 0.00000 0.53938 0.21920
|
|
58 18F-1 0.00000 0.01948 0.00000 -0.41419 0.38548
|
|
59 18F+2 0.43344 0.00000 0.19102 0.00000 0.00000
|
|
60 18F-2 0.55928 0.00000 -0.42115 0.00000 0.00000
|
|
61 18F+3 0.00000 -0.65883 0.00000 -0.39507 0.21656
|
|
62 18F-3 0.00000 0.51931 0.00000 0.41218 -0.02756
|
|
63 19G 0 0.00000 -0.00823 0.00000 0.00577 -0.00158
|
|
64 19G+1 -0.00263 0.00000 -0.00997 0.00000 0.00000
|
|
65 19G-1 -0.00527 0.00000 -0.00803 0.00000 0.00000
|
|
66 19G+2 0.00000 0.00069 0.00000 -0.01217 -0.00627
|
|
67 19G-2 0.00000 0.01722 0.00000 -0.00010 0.00242
|
|
68 19G+3 0.00179 0.00000 0.00009 0.00000 0.00000
|
|
69 19G-3 -0.00177 0.00000 -0.00974 0.00000 0.00000
|
|
70 19G+4 0.00000 -0.00556 0.00000 0.00604 -0.00347
|
|
71 19G-4 0.00000 0.00428 0.00000 -0.01713 -0.00197
|
|
72 20G 0 0.00000 0.09448 0.00000 -0.03580 0.06753
|
|
73 20G+1 0.21377 0.00000 0.21162 0.00000 0.00000
|
|
74 20G-1 0.16176 0.00000 0.07287 0.00000 0.00000
|
|
75 20G+2 0.00000 -0.12418 0.00000 0.15263 -0.04115
|
|
76 20G-2 0.00000 0.02662 0.00000 0.07572 0.04913
|
|
77 20G+3 0.00908 0.00000 -0.01534 0.00000 0.00000
|
|
78 20G-3 0.09983 0.00000 0.11324 0.00000 0.00000
|
|
79 20G+4 0.00000 0.16803 0.00000 -0.02220 -0.00776
|
|
80 20G-4 0.00000 -0.13620 0.00000 0.05702 -0.07153
|
|
81 21H 0 -0.01156 0.00000 0.00524 0.00000 0.00000
|
|
82 21H+1 0.00000 -0.01873 0.00000 0.00058 0.00389
|
|
83 21H-1 0.00000 -0.00082 0.00000 -0.00643 0.00608
|
|
84 21H+2 0.01767 0.00000 0.00148 0.00000 0.00000
|
|
85 21H-2 0.02862 0.00000 0.02218 0.00000 0.00000
|
|
86 21H+3 0.00000 0.00650 0.00000 0.00724 -0.01027
|
|
87 21H-3 0.00000 -0.01279 0.00000 0.01337 -0.01136
|
|
88 21H+4 0.00031 0.00000 0.00337 0.00000 0.00000
|
|
89 21H-4 0.00676 0.00000 -0.00655 0.00000 0.00000
|
|
90 21H+5 0.00000 -0.01685 0.00000 0.00843 0.00655
|
|
91 21H-5 0.00000 0.01197 0.00000 0.00312 0.00177
|
|
92 2 S 1S 0.00000 -0.01287 0.00000 -0.00016 0.00496
|
|
93 2S 0.00000 0.00890 0.00000 -0.00327 -0.00787
|
|
94 3S 0.00000 -0.09862 0.00000 -0.00936 0.02356
|
|
95 4S 0.00000 -0.22103 0.00000 -0.02449 -0.02050
|
|
96 5S 0.00000 1.87032 0.00000 -0.47605 -0.07774
|
|
97 6S 0.00000 -5.16850 0.00000 2.66837 0.55639
|
|
98 7S 0.00000 -7.13930 0.00000 2.95713 2.10306
|
|
99 8PX 0.00000 -0.02856 0.00000 0.01470 0.00724
|
|
100 8PY 0.00000 -0.00754 0.00000 0.00561 -0.01385
|
|
101 8PZ 0.01584 0.00000 0.01791 0.00000 0.00000
|
|
102 9PX 0.00000 0.07960 0.00000 -0.03499 -0.01737
|
|
103 9PY 0.00000 0.00884 0.00000 -0.03033 0.03205
|
|
104 9PZ -0.03073 0.00000 -0.03094 0.00000 0.00000
|
|
105 10PX 0.00000 0.18895 0.00000 -0.06512 -0.02351
|
|
106 10PY 0.00000 -0.03959 0.00000 -0.11163 0.03086
|
|
107 10PZ -0.01613 0.00000 -0.00530 0.00000 0.00000
|
|
108 11PX 0.00000 -0.21568 0.00000 -0.06256 -0.18432
|
|
109 11PY 0.00000 0.49625 0.00000 0.54179 0.22877
|
|
110 11PZ -0.10957 0.00000 -0.15360 0.00000 0.00000
|
|
111 12PX 0.00000 -3.14054 0.00000 4.26538 1.58344
|
|
112 12PY 0.00000 -2.94289 0.00000 -3.10928 -0.85452
|
|
113 12PZ -0.24048 0.00000 -0.03324 0.00000 0.00000
|
|
114 13PX 0.00000 0.19004 0.00000 0.18013 -0.27383
|
|
115 13PY 0.00000 -1.23831 0.00000 0.21270 0.55806
|
|
116 13PZ -0.31560 0.00000 -0.01474 0.00000 0.00000
|
|
117 14D 0 0.00000 1.59760 0.00000 -0.69378 -0.36596
|
|
118 14D+1 -0.48106 0.00000 0.54277 0.00000 0.00000
|
|
119 14D-1 -0.37109 0.00000 -1.00856 0.00000 0.00000
|
|
120 14D+2 0.00000 0.00046 0.00000 3.90452 0.57241
|
|
121 14D-2 0.00000 1.72076 0.00000 -2.33139 -0.43953
|
|
122 15D 0 0.00000 0.42688 0.00000 -0.17699 -0.14708
|
|
123 15D+1 -0.18118 0.00000 0.39906 0.00000 0.00000
|
|
124 15D-1 0.28195 0.00000 0.03280 0.00000 0.00000
|
|
125 15D+2 0.00000 -0.39872 0.00000 -0.00034 0.07943
|
|
126 15D-2 0.00000 -0.10236 0.00000 0.10704 -0.11808
|
|
127 16D 0 0.00000 -0.07181 0.00000 0.02273 -0.02148
|
|
128 16D+1 -0.02958 0.00000 0.01372 0.00000 0.00000
|
|
129 16D-1 -0.01113 0.00000 -0.00826 0.00000 0.00000
|
|
130 16D+2 0.00000 0.03554 0.00000 -0.08483 -0.05655
|
|
131 16D-2 0.00000 0.00784 0.00000 -0.03040 -0.00498
|
|
132 17D 0 0.00000 0.01850 0.00000 -0.00459 -0.01862
|
|
133 17D+1 -0.02881 0.00000 0.04860 0.00000 0.00000
|
|
134 17D-1 0.02714 0.00000 -0.00447 0.00000 0.00000
|
|
135 17D+2 0.00000 -0.00427 0.00000 -0.01628 -0.00429
|
|
136 17D-2 0.00000 -0.00978 0.00000 -0.00820 -0.01056
|
|
137 18F 0 0.03667 0.00000 -0.51753 0.00000 0.00000
|
|
138 18F+1 0.00000 0.44419 0.00000 0.11883 -0.25938
|
|
139 18F-1 0.00000 0.46688 0.00000 0.79026 -0.63834
|
|
140 18F+2 -0.93627 0.00000 1.06075 0.00000 0.00000
|
|
141 18F-2 -0.55927 0.00000 0.29368 0.00000 0.00000
|
|
142 18F+3 0.00000 -0.37450 0.00000 2.13609 -0.02615
|
|
143 18F-3 0.00000 0.48448 0.00000 0.34827 -0.48941
|
|
144 19F 0 -0.00094 0.00000 0.17296 0.00000 0.00000
|
|
145 19F+1 0.00000 0.07256 0.00000 -0.19449 -0.02741
|
|
146 19F-1 0.00000 -0.04595 0.00000 -0.18845 0.31687
|
|
147 19F+2 0.28911 0.00000 -0.13795 0.00000 0.00000
|
|
148 19F-2 0.17643 0.00000 -0.13812 0.00000 0.00000
|
|
149 19F+3 0.00000 -0.28533 0.00000 -0.01554 0.00869
|
|
150 19F-3 0.00000 0.15853 0.00000 0.13400 0.05561
|
|
151 20F 0 -0.00626 0.00000 -0.06514 0.00000 0.00000
|
|
152 20F+1 0.00000 0.03299 0.00000 0.03796 -0.00254
|
|
153 20F-1 0.00000 0.01111 0.00000 0.05543 -0.08716
|
|
154 20F+2 -0.09891 0.00000 0.04717 0.00000 0.00000
|
|
155 20F-2 -0.05130 0.00000 0.04457 0.00000 0.00000
|
|
156 20F+3 0.00000 0.04005 0.00000 0.01957 0.00193
|
|
157 20F-3 0.00000 -0.02281 0.00000 -0.03641 -0.02576
|
|
158 21G 0 0.00000 -0.07781 0.00000 0.03962 0.00162
|
|
159 21G+1 0.01151 0.00000 -0.05680 0.00000 0.00000
|
|
160 21G-1 0.02391 0.00000 0.09054 0.00000 0.00000
|
|
161 21G+2 0.00000 0.01429 0.00000 -0.12109 -0.05715
|
|
162 21G-2 0.00000 -0.05998 0.00000 0.05178 -0.00127
|
|
163 21G+3 -0.01101 0.00000 0.07168 0.00000 0.00000
|
|
164 21G-3 0.00557 0.00000 0.06325 0.00000 0.00000
|
|
165 21G+4 0.00000 -0.15873 0.00000 0.09030 0.02501
|
|
166 21G-4 0.00000 -0.00706 0.00000 0.27381 -0.13283
|
|
167 22G 0 0.00000 -0.00745 0.00000 -0.00028 0.00017
|
|
168 22G+1 -0.00583 0.00000 0.00371 0.00000 0.00000
|
|
169 22G-1 -0.00314 0.00000 -0.01193 0.00000 0.00000
|
|
170 22G+2 0.00000 0.02064 0.00000 0.00677 -0.00388
|
|
171 22G-2 0.00000 0.00327 0.00000 -0.01258 0.00702
|
|
172 22G+3 0.00159 0.00000 -0.00851 0.00000 0.00000
|
|
173 22G-3 -0.00087 0.00000 -0.01002 0.00000 0.00000
|
|
174 22G+4 0.00000 -0.01262 0.00000 0.00330 -0.00755
|
|
175 22G-4 0.00000 0.01398 0.00000 -0.03039 0.00346
|
|
176 23H 0 -0.00046 0.00000 -0.00188 0.00000 0.00000
|
|
177 23H+1 0.00000 -0.00952 0.00000 0.00297 0.00657
|
|
178 23H-1 0.00000 -0.00174 0.00000 -0.00181 -0.00641
|
|
179 23H+2 -0.00589 0.00000 -0.01390 0.00000 0.00000
|
|
180 23H-2 0.00174 0.00000 0.00149 0.00000 0.00000
|
|
181 23H+3 0.00000 0.01798 0.00000 -0.02001 0.00110
|
|
182 23H-3 0.00000 -0.01069 0.00000 -0.01411 0.00383
|
|
183 23H+4 -0.00307 0.00000 -0.00418 0.00000 0.00000
|
|
184 23H-4 -0.00593 0.00000 0.00037 0.00000 0.00000
|
|
185 23H+5 0.00000 -0.00974 0.00000 0.00446 0.00975
|
|
186 23H-5 0.00000 0.00222 0.00000 0.00533 -0.01789
|
|
187 3 H 1S 0.00000 -0.00196 0.00000 0.00221 -0.00191
|
|
188 2S 0.00000 -0.18120 0.00000 0.13542 0.07442
|
|
189 3S 0.00000 1.09307 0.00000 -1.13904 -0.76391
|
|
190 4S 0.00000 5.48648 0.00000 -9.52829 -1.21865
|
|
191 5S 0.00000 -0.55186 0.00000 0.79650 0.69024
|
|
192 6PX 0.00000 -0.01161 0.00000 0.00701 0.00105
|
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193 6PY 0.00000 -0.00336 0.00000 0.00025 -0.00048
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194 6PZ -0.00668 0.00000 0.00808 0.00000 0.00000
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195 7PX 0.00000 0.08306 0.00000 -0.04156 -0.01371
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196 7PY 0.00000 0.01223 0.00000 -0.00035 0.00119
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197 7PZ 0.02589 0.00000 -0.02874 0.00000 0.00000
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198 8PX 0.00000 -0.68292 0.00000 0.35568 0.22389
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199 8PY 0.00000 0.02942 0.00000 -0.11817 -0.04038
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200 8PZ -0.12345 0.00000 0.12301 0.00000 0.00000
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|
201 9PX 0.00000 -2.45116 0.00000 3.41356 0.58682
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202 9PY 0.00000 -0.02288 0.00000 -1.49490 0.85053
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203 9PZ 0.61347 0.00000 -1.24251 0.00000 0.00000
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204 10D 0 0.00000 0.00894 0.00000 -0.00525 -0.00385
|
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205 10D+1 -0.00280 0.00000 0.00444 0.00000 0.00000
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206 10D-1 -0.00035 0.00000 0.00323 0.00000 0.00000
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|
207 10D+2 0.00000 -0.00033 0.00000 -0.00546 -0.00023
|
|
208 10D-2 0.00000 0.00424 0.00000 -0.00105 -0.00424
|
|
209 11D 0 0.00000 -0.04541 0.00000 0.02776 0.02355
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|
210 11D+1 0.01860 0.00000 -0.03151 0.00000 0.00000
|
|
211 11D-1 -0.00280 0.00000 -0.01089 0.00000 0.00000
|
|
212 11D+2 0.00000 0.01175 0.00000 0.02359 -0.00445
|
|
213 11D-2 0.00000 -0.02365 0.00000 0.00277 0.02813
|
|
214 12D 0 0.00000 -0.13022 0.00000 0.02129 -0.02514
|
|
215 12D+1 -0.03396 0.00000 0.20767 0.00000 0.00000
|
|
216 12D-1 0.02821 0.00000 0.01443 0.00000 0.00000
|
|
217 12D+2 0.00000 0.48078 0.00000 -0.24257 -0.13558
|
|
218 12D-2 0.00000 -0.05662 0.00000 0.36205 -0.21096
|
|
219 13F 0 0.00021 0.00000 -0.00237 0.00000 0.00000
|
|
220 13F+1 0.00000 0.00030 0.00000 -0.00313 -0.00237
|
|
221 13F-1 0.00000 0.00086 0.00000 -0.00033 0.00107
|
|
222 13F+2 -0.00004 0.00000 0.00351 0.00000 0.00000
|
|
223 13F-2 0.00276 0.00000 -0.00261 0.00000 0.00000
|
|
224 13F+3 0.00000 -0.00095 0.00000 0.00272 -0.00156
|
|
225 13F-3 0.00000 -0.00195 0.00000 0.00615 -0.00261
|
|
226 14F 0 0.00599 0.00000 0.01314 0.00000 0.00000
|
|
227 14F+1 0.00000 0.03278 0.00000 -0.00170 0.00428
|
|
228 14F-1 0.00000 -0.00789 0.00000 0.01194 -0.00858
|
|
229 14F+2 -0.00861 0.00000 -0.02091 0.00000 0.00000
|
|
230 14F-2 -0.00856 0.00000 0.01246 0.00000 0.00000
|
|
231 14F+3 0.00000 -0.04283 0.00000 -0.01476 0.02630
|
|
232 14F-3 0.00000 0.03385 0.00000 -0.07422 0.02370
|
|
233 15G 0 0.00000 0.00094 0.00000 -0.00175 -0.00014
|
|
234 15G+1 -0.00073 0.00000 -0.00042 0.00000 0.00000
|
|
235 15G-1 0.00063 0.00000 -0.00030 0.00000 0.00000
|
|
236 15G+2 0.00000 -0.00168 0.00000 0.00175 0.00051
|
|
237 15G-2 0.00000 0.00016 0.00000 -0.00102 0.00048
|
|
238 15G+3 0.00014 0.00000 0.00061 0.00000 0.00000
|
|
239 15G-3 -0.00146 0.00000 0.00045 0.00000 0.00000
|
|
240 15G+4 0.00000 0.00256 0.00000 0.00160 -0.00162
|
|
241 15G-4 0.00000 -0.00219 0.00000 0.00306 -0.00083
|
|
242 4 H 1S 0.00000 0.00293 0.00000 -0.03305 -0.03758
|
|
243 2S 0.00000 0.13052 0.00000 0.27888 0.07525
|
|
244 3S 0.00000 -4.85460 0.00000 -3.00020 -1.36525
|
|
245 4S 0.00000 -13.77913 0.00000 -2.01152 -2.11340
|
|
246 5S 0.00000 0.89532 0.00000 -1.57258 -0.84447
|
|
247 6PX 0.00000 0.00865 0.00000 0.00086 0.01504
|
|
248 6PY 0.00000 -0.00047 0.00000 -0.00094 0.00272
|
|
249 6PZ -0.00288 0.00000 -0.00711 0.00000 0.00000
|
|
250 7PX 0.00000 -0.05055 0.00000 0.06189 -0.06420
|
|
251 7PY 0.00000 -0.01056 0.00000 -0.01018 -0.00467
|
|
252 7PZ 0.00511 0.00000 0.05071 0.00000 0.00000
|
|
253 8PX 0.00000 -1.32033 0.00000 -0.92242 -0.02734
|
|
254 8PY 0.00000 0.62533 0.00000 0.18702 0.00320
|
|
255 8PZ -0.03850 0.00000 -0.44857 0.00000 0.00000
|
|
256 9PX 0.00000 -3.19186 0.00000 -2.34966 -1.99310
|
|
257 9PY 0.00000 2.84463 0.00000 -0.06655 -0.44068
|
|
258 9PZ 0.14265 0.00000 -2.27536 0.00000 0.00000
|
|
259 10D 0 0.00000 -0.00302 0.00000 -0.01135 0.00141
|
|
260 10D+1 -0.00448 0.00000 -0.00113 0.00000 0.00000
|
|
261 10D-1 -0.00054 0.00000 -0.00249 0.00000 0.00000
|
|
262 10D+2 0.00000 0.00550 0.00000 0.01202 0.00751
|
|
263 10D-2 0.00000 -0.00168 0.00000 -0.00572 0.00200
|
|
264 11D 0 0.00000 0.07543 0.00000 0.06429 0.00608
|
|
265 11D+1 0.01402 0.00000 -0.01466 0.00000 0.00000
|
|
266 11D-1 0.00398 0.00000 0.01878 0.00000 0.00000
|
|
267 11D+2 0.00000 -0.11558 0.00000 -0.07996 -0.05371
|
|
268 11D-2 0.00000 0.07873 0.00000 0.03216 -0.00543
|
|
269 12D 0 0.00000 0.14093 0.00000 0.26535 0.12635
|
|
270 12D+1 -0.05332 0.00000 -0.71742 0.00000 0.00000
|
|
271 12D-1 0.01271 0.00000 0.06521 0.00000 0.00000
|
|
272 12D+2 0.00000 0.13215 0.00000 -0.51314 -0.14498
|
|
273 12D-2 0.00000 0.54249 0.00000 0.22918 -0.16174
|
|
274 13F 0 0.00131 0.00000 -0.00038 0.00000 0.00000
|
|
275 13F+1 0.00000 0.00697 0.00000 -0.00124 0.00096
|
|
276 13F-1 0.00000 -0.00305 0.00000 0.00020 0.00095
|
|
277 13F+2 0.00027 0.00000 0.00328 0.00000 0.00000
|
|
278 13F-2 -0.00075 0.00000 0.00116 0.00000 0.00000
|
|
279 13F+3 0.00000 -0.00954 0.00000 -0.00095 0.00150
|
|
280 13F-3 0.00000 0.00670 0.00000 -0.00156 0.00460
|
|
281 14F 0 -0.00718 0.00000 0.06402 0.00000 0.00000
|
|
282 14F+1 0.00000 -0.00178 0.00000 0.07582 0.01874
|
|
283 14F-1 0.00000 -0.01647 0.00000 -0.00598 -0.00003
|
|
284 14F+2 -0.00267 0.00000 -0.09348 0.00000 0.00000
|
|
285 14F-2 0.00060 0.00000 0.01887 0.00000 0.00000
|
|
286 14F+3 0.00000 0.07363 0.00000 -0.06968 -0.05807
|
|
287 14F-3 0.00000 0.05145 0.00000 0.06118 -0.04460
|
|
288 15G 0 0.00000 -0.00083 0.00000 -0.00302 -0.00098
|
|
289 15G+1 -0.00066 0.00000 0.00462 0.00000 0.00000
|
|
290 15G-1 -0.00036 0.00000 -0.00047 0.00000 0.00000
|
|
291 15G+2 0.00000 -0.00072 0.00000 0.00471 0.00191
|
|
292 15G-2 0.00000 -0.00248 0.00000 -0.00017 0.00061
|
|
293 15G+3 -0.00076 0.00000 -0.00464 0.00000 0.00000
|
|
294 15G-3 -0.00134 0.00000 0.00080 0.00000 0.00000
|
|
295 15G+4 0.00000 0.00509 0.00000 -0.00325 -0.00392
|
|
296 15G-4 0.00000 0.00184 0.00000 0.00478 -0.00074
|
|
297 5 H 1S 0.01020 -0.01894 0.01514 -0.00532 -0.03468
|
|
298 2S 0.04537 0.22524 -0.08434 0.01005 0.00196
|
|
299 3S -3.35595 -1.33932 -0.19179 -0.76844 -1.38178
|
|
300 4S -9.54781 -5.70007 -5.73263 -2.88510 5.07459
|
|
301 5S 1.24483 -1.34219 2.06961 -0.31719 -0.82469
|
|
302 6PX -0.00231 0.00251 0.00273 -0.00638 -0.00696
|
|
303 6PY -0.00190 0.00211 0.00111 0.00270 0.00145
|
|
304 6PZ -0.00585 0.00196 -0.00493 -0.00255 -0.01572
|
|
305 7PX 0.02711 -0.03245 -0.00114 0.04327 0.02641
|
|
306 7PY 0.00572 -0.02366 0.00245 -0.01579 -0.00746
|
|
307 7PZ 0.04763 -0.05953 0.05969 0.01345 0.08160
|
|
308 8PX 0.43107 0.32307 0.13502 -0.22452 0.00721
|
|
309 8PY 0.52040 0.21085 0.17354 0.24117 0.02348
|
|
310 8PZ 0.74832 0.54122 -0.09468 0.17440 -0.31852
|
|
311 9PX 0.72158 1.24020 1.13678 -0.43889 0.74311
|
|
312 9PY 1.49900 1.12214 0.71246 2.09359 -0.89210
|
|
313 9PZ 1.47728 3.13711 0.28832 0.68247 -1.77717
|
|
314 10D 0 0.00244 0.00718 -0.00216 0.00016 0.00432
|
|
315 10D+1 0.00160 0.00471 -0.00685 -0.00115 0.00359
|
|
316 10D-1 0.00218 0.00300 -0.00302 -0.00269 -0.00136
|
|
317 10D+2 -0.00076 0.00003 -0.00183 0.00165 0.00406
|
|
318 10D-2 0.00222 0.00051 -0.00356 -0.00014 0.00015
|
|
319 11D 0 -0.05358 -0.03243 -0.00045 -0.02147 -0.02361
|
|
320 11D+1 -0.06910 -0.03309 0.01206 0.00260 -0.02704
|
|
321 11D-1 -0.06771 -0.01414 -0.00907 -0.00583 0.00266
|
|
322 11D+2 -0.00078 -0.00640 0.01193 -0.00210 -0.02121
|
|
323 11D-2 -0.04230 -0.00398 0.00053 -0.00464 -0.00788
|
|
324 12D 0 0.15163 -0.39070 0.36442 -0.07061 0.42438
|
|
325 12D+1 0.08692 -0.46419 0.00540 0.22958 -0.00196
|
|
326 12D-1 -0.20623 -0.31666 -0.00115 -0.30665 0.20162
|
|
327 12D+2 0.10054 -0.04787 -0.04254 0.37188 -0.08244
|
|
328 12D-2 -0.09781 -0.21918 -0.09569 -0.01592 0.03013
|
|
329 13F 0 0.00206 -0.00148 0.00149 0.00133 0.00113
|
|
330 13F+1 0.00751 -0.00102 0.00384 0.00050 0.00012
|
|
331 13F-1 0.00500 -0.00017 0.00301 0.00317 0.00105
|
|
332 13F+2 0.00249 0.00089 -0.00043 0.00233 -0.00321
|
|
333 13F-2 0.00511 -0.00189 0.00315 0.00095 0.00226
|
|
334 13F+3 -0.00072 0.00019 -0.00176 -0.00082 -0.00104
|
|
335 13F-3 0.00003 0.00048 0.00158 0.00114 0.00060
|
|
336 14F 0 -0.03467 0.03109 -0.04736 0.01054 -0.03527
|
|
337 14F+1 -0.04685 0.08188 -0.05268 -0.01676 0.00578
|
|
338 14F-1 0.00215 0.05157 -0.03227 0.01696 -0.03740
|
|
339 14F+2 -0.03685 0.01602 -0.00363 -0.06507 0.04538
|
|
340 14F-2 0.00066 0.05310 -0.00911 0.00320 -0.01318
|
|
341 14F+3 -0.00698 -0.00391 0.00466 -0.01528 0.01122
|
|
342 14F-3 -0.00140 0.01199 -0.00998 -0.02093 0.00769
|
|
343 15G 0 0.00139 0.00137 0.00074 -0.00062 0.00137
|
|
344 15G+1 0.00282 -0.00536 0.00384 0.00003 -0.00018
|
|
345 15G-1 0.00067 -0.00418 0.00243 -0.00073 0.00230
|
|
346 15G+2 0.00276 -0.00134 0.00054 0.00312 -0.00228
|
|
347 15G-2 0.00074 -0.00435 0.00096 -0.00110 0.00126
|
|
348 15G+3 0.00082 0.00019 0.00007 0.00211 -0.00093
|
|
349 15G-3 0.00152 -0.00216 0.00065 0.00149 -0.00100
|
|
350 15G+4 -0.00093 0.00027 -0.00087 0.00023 0.00076
|
|
351 15G-4 0.00079 -0.00002 0.00084 0.00058 -0.00045
|
|
352 6 H 1S -0.01020 -0.01894 -0.01514 -0.00532 -0.03468
|
|
353 2S -0.04537 0.22524 0.08434 0.01005 0.00196
|
|
354 3S 3.35595 -1.33932 0.19179 -0.76844 -1.38178
|
|
355 4S 9.54781 -5.70007 5.73263 -2.88510 5.07459
|
|
356 5S -1.24483 -1.34219 -2.06961 -0.31719 -0.82469
|
|
357 6PX 0.00231 0.00251 -0.00273 -0.00638 -0.00696
|
|
358 6PY 0.00190 0.00211 -0.00111 0.00270 0.00145
|
|
359 6PZ -0.00585 -0.00196 -0.00493 0.00255 0.01572
|
|
360 7PX -0.02711 -0.03245 0.00114 0.04327 0.02641
|
|
361 7PY -0.00572 -0.02366 -0.00245 -0.01579 -0.00746
|
|
362 7PZ 0.04763 0.05953 0.05969 -0.01345 -0.08160
|
|
363 8PX -0.43107 0.32307 -0.13502 -0.22452 0.00721
|
|
364 8PY -0.52040 0.21085 -0.17354 0.24117 0.02348
|
|
365 8PZ 0.74832 -0.54122 -0.09468 -0.17440 0.31852
|
|
366 9PX -0.72158 1.24020 -1.13678 -0.43889 0.74311
|
|
367 9PY -1.49900 1.12214 -0.71246 2.09359 -0.89210
|
|
368 9PZ 1.47728 -3.13711 0.28832 -0.68247 1.77717
|
|
369 10D 0 -0.00244 0.00718 0.00216 0.00016 0.00432
|
|
370 10D+1 0.00160 -0.00471 -0.00685 0.00115 -0.00359
|
|
371 10D-1 0.00218 -0.00300 -0.00302 0.00269 0.00136
|
|
372 10D+2 0.00076 0.00003 0.00183 0.00165 0.00406
|
|
373 10D-2 -0.00222 0.00051 0.00356 -0.00014 0.00015
|
|
374 11D 0 0.05358 -0.03243 0.00045 -0.02147 -0.02361
|
|
375 11D+1 -0.06910 0.03309 0.01206 -0.00260 0.02704
|
|
376 11D-1 -0.06771 0.01414 -0.00907 0.00583 -0.00266
|
|
377 11D+2 0.00078 -0.00640 -0.01193 -0.00210 -0.02121
|
|
378 11D-2 0.04230 -0.00398 -0.00053 -0.00464 -0.00788
|
|
379 12D 0 -0.15163 -0.39070 -0.36442 -0.07061 0.42438
|
|
380 12D+1 0.08692 0.46419 0.00540 -0.22958 0.00196
|
|
381 12D-1 -0.20623 0.31666 -0.00115 0.30665 -0.20162
|
|
382 12D+2 -0.10054 -0.04787 0.04254 0.37188 -0.08244
|
|
383 12D-2 0.09781 -0.21918 0.09569 -0.01592 0.03013
|
|
384 13F 0 0.00206 0.00148 0.00149 -0.00133 -0.00113
|
|
385 13F+1 -0.00751 -0.00102 -0.00384 0.00050 0.00012
|
|
386 13F-1 -0.00500 -0.00017 -0.00301 0.00317 0.00105
|
|
387 13F+2 0.00249 -0.00089 -0.00043 -0.00233 0.00321
|
|
388 13F-2 0.00511 0.00189 0.00315 -0.00095 -0.00226
|
|
389 13F+3 0.00072 0.00019 0.00176 -0.00082 -0.00104
|
|
390 13F-3 -0.00003 0.00048 -0.00158 0.00114 0.00060
|
|
391 14F 0 -0.03467 -0.03109 -0.04736 -0.01054 0.03527
|
|
392 14F+1 0.04685 0.08188 0.05268 -0.01676 0.00578
|
|
393 14F-1 -0.00215 0.05157 0.03227 0.01696 -0.03740
|
|
394 14F+2 -0.03685 -0.01602 -0.00363 0.06507 -0.04538
|
|
395 14F-2 0.00066 -0.05310 -0.00911 -0.00320 0.01318
|
|
396 14F+3 0.00698 -0.00391 -0.00466 -0.01528 0.01122
|
|
397 14F-3 0.00140 0.01199 0.00998 -0.02093 0.00769
|
|
398 15G 0 -0.00139 0.00137 -0.00074 -0.00062 0.00137
|
|
399 15G+1 0.00282 0.00536 0.00384 -0.00003 0.00018
|
|
400 15G-1 0.00067 0.00418 0.00243 0.00073 -0.00230
|
|
401 15G+2 -0.00276 -0.00134 -0.00054 0.00312 -0.00228
|
|
402 15G-2 -0.00074 -0.00435 -0.00096 -0.00110 0.00126
|
|
403 15G+3 0.00082 -0.00019 0.00007 -0.00211 0.00093
|
|
404 15G-3 0.00152 0.00216 0.00065 -0.00149 0.00100
|
|
405 15G+4 0.00093 0.00027 0.00087 0.00023 0.00076
|
|
406 15G-4 -0.00079 -0.00002 -0.00084 0.00058 -0.00045
|
|
61 62 63 64 65
|
|
V V V V V
|
|
Eigenvalues -- 1.15501 1.18125 1.22727 1.24122 1.24523
|
|
1 1 C 1S 0.00000 0.01201 -0.01276 0.00981 0.00000
|
|
2 2S 0.00000 -0.00913 0.03422 -0.01886 0.00000
|
|
3 3S 0.00000 0.07664 0.04278 0.02314 0.00000
|
|
4 4S 0.00000 0.30132 0.34504 -0.43631 0.00000
|
|
5 5S 0.00000 -6.93172 -4.00796 -0.32048 0.00000
|
|
6 6S 0.00000 -8.03104 0.17931 -7.21112 0.00000
|
|
7 7PX 0.00000 -0.02384 -0.00165 0.03198 0.00000
|
|
8 7PY 0.00000 -0.01624 -0.00817 0.00867 0.00000
|
|
9 7PZ -0.00767 0.00000 0.00000 0.00000 -0.04781
|
|
10 8PX 0.00000 0.30765 -0.27431 -0.18666 0.00000
|
|
11 8PY 0.00000 -0.01021 -0.07918 -0.08777 0.00000
|
|
12 8PZ -0.21525 0.00000 0.00000 0.00000 0.48193
|
|
13 9PX 0.00000 -3.53189 3.72427 4.28200 0.00000
|
|
14 9PY 0.00000 -0.63252 0.52061 0.45143 0.00000
|
|
15 9PZ 3.12035 0.00000 0.00000 0.00000 -6.51890
|
|
16 10PX 0.00000 -8.57257 9.18997 10.63516 0.00000
|
|
17 10PY 0.00000 0.05977 -0.17328 3.39219 0.00000
|
|
18 10PZ 9.83114 0.00000 0.00000 0.00000 -19.59892
|
|
19 11PX 0.00000 -1.05211 -0.66525 0.63113 0.00000
|
|
20 11PY 0.00000 0.04543 -0.13490 1.38761 0.00000
|
|
21 11PZ 0.44623 0.00000 0.00000 0.00000 -1.44605
|
|
22 12D 0 0.00000 0.01309 -0.01059 -0.01757 0.00000
|
|
23 12D+1 -0.01052 0.00000 0.00000 0.00000 0.02492
|
|
24 12D-1 -0.00816 0.00000 0.00000 0.00000 0.02312
|
|
25 12D+2 0.00000 -0.00453 0.00431 0.01459 0.00000
|
|
26 12D-2 0.00000 0.01050 -0.00351 -0.01263 0.00000
|
|
27 13D 0 0.00000 -0.01353 0.04109 0.06344 0.00000
|
|
28 13D+1 0.05558 0.00000 0.00000 0.00000 -0.04332
|
|
29 13D-1 0.02536 0.00000 0.00000 0.00000 -0.03391
|
|
30 13D+2 0.00000 -0.00587 0.00697 -0.08561 0.00000
|
|
31 13D-2 0.00000 0.00017 -0.00998 0.04563 0.00000
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|
|
292 15G-2 0.00000 0.00047 0.00374 0.00168 0.00000
|
|
293 15G+3 -0.00073 0.00000 0.00000 0.00000 0.00099
|
|
294 15G-3 0.00266 0.00000 0.00000 0.00000 -0.00214
|
|
295 15G+4 0.00000 -0.00360 -0.00210 0.00293 0.00000
|
|
296 15G-4 0.00000 0.00037 -0.00542 -0.00658 0.00000
|
|
297 5 H 1S -0.00720 0.00972 -0.00934 -0.01535 0.03455
|
|
298 2S 0.13112 -0.17233 0.05003 0.16127 -0.39634
|
|
299 3S -1.41792 2.88465 -1.11362 -2.44471 6.44173
|
|
300 4S -9.31075 8.90100 -4.38174 -4.97217 19.86229
|
|
301 5S 0.30228 0.50794 0.41619 -0.00183 -0.35075
|
|
302 6PX 0.00085 -0.00194 -0.00223 0.00038 0.00683
|
|
303 6PY -0.00162 0.00116 -0.00160 -0.00123 0.00687
|
|
304 6PZ 0.00110 0.00360 -0.00229 -0.00347 0.00640
|
|
305 7PX -0.02050 0.02204 0.01708 -0.00614 -0.01019
|
|
306 7PY 0.00383 0.00770 0.00270 0.00787 -0.01786
|
|
307 7PZ -0.01435 0.00189 0.00104 -0.00550 0.00889
|
|
308 8PX 0.47792 -0.49115 0.03735 0.30276 -0.86896
|
|
309 8PY 0.25413 -0.41416 0.14046 0.19631 -0.65576
|
|
310 8PZ 0.52484 -0.77468 0.41646 0.64114 -1.70020
|
|
311 9PX 3.00517 -0.73544 0.26291 -0.20257 -4.51550
|
|
312 9PY 1.53258 -1.35303 0.64502 -0.50232 -1.73465
|
|
313 9PZ 2.83429 -3.11635 2.02888 3.28745 -6.07854
|
|
314 10D 0 -0.00047 -0.00562 0.00568 0.00545 -0.00793
|
|
315 10D+1 0.00206 -0.00587 0.00026 0.00413 -0.01678
|
|
316 10D-1 0.00365 -0.00540 0.00002 0.00574 -0.01444
|
|
317 10D+2 0.00231 0.00111 0.00232 -0.00487 0.00334
|
|
318 10D-2 0.00378 -0.00348 0.00179 0.00246 -0.00650
|
|
319 11D 0 -0.00558 0.05409 -0.04870 -0.04777 0.10536
|
|
320 11D+1 -0.03722 0.06381 -0.01340 -0.04981 0.16151
|
|
321 11D-1 -0.03531 0.05777 -0.01243 -0.04975 0.13262
|
|
322 11D+2 -0.01306 -0.00262 -0.00588 0.02082 -0.01083
|
|
323 11D-2 -0.03042 0.03196 -0.01085 -0.02105 0.06732
|
|
324 12D 0 -0.08691 0.23497 -0.25931 -0.52699 0.48451
|
|
325 12D+1 -0.57197 0.20612 -0.05009 -0.14725 0.61269
|
|
326 12D-1 -0.25575 0.33184 -0.27026 0.05059 0.29870
|
|
327 12D+2 -0.16316 -0.02959 0.10359 -0.13595 0.25399
|
|
328 12D-2 -0.22559 0.12404 0.03809 0.09372 0.25147
|
|
329 13F 0 0.00161 0.00012 0.00042 -0.00411 -0.00346
|
|
330 13F+1 0.00079 -0.00287 0.00179 0.00210 -0.00634
|
|
331 13F-1 0.00100 0.00002 -0.00171 0.00139 -0.00430
|
|
332 13F+2 -0.00116 -0.00220 0.00030 -0.00047 -0.00049
|
|
333 13F-2 -0.00111 -0.00301 -0.00006 0.00322 -0.00546
|
|
334 13F+3 0.00018 -0.00102 0.00036 -0.00046 0.00094
|
|
335 13F-3 0.00130 0.00014 0.00133 0.00015 0.00224
|
|
336 14F 0 -0.04336 -0.01238 0.03141 0.08582 -0.00561
|
|
337 14F+1 0.04540 -0.02781 0.01411 0.04103 -0.07998
|
|
338 14F-1 0.01901 -0.05268 0.04394 0.02314 -0.04784
|
|
339 14F+2 0.03799 0.01867 -0.02412 0.01800 -0.03257
|
|
340 14F-2 0.06166 -0.02472 0.00365 -0.01141 -0.05459
|
|
341 14F+3 0.00003 0.01659 -0.00570 0.01144 0.00220
|
|
342 14F-3 0.01433 -0.00773 -0.01707 -0.00120 -0.03754
|
|
343 15G 0 0.00314 -0.00084 -0.00050 -0.00329 -0.00101
|
|
344 15G+1 -0.00049 0.00185 -0.00239 -0.00347 0.00405
|
|
345 15G-1 -0.00016 0.00225 -0.00143 -0.00315 0.00223
|
|
346 15G+2 -0.00216 -0.00052 0.00164 -0.00117 0.00252
|
|
347 15G-2 -0.00372 0.00221 -0.00065 -0.00132 0.00449
|
|
348 15G+3 0.00010 -0.00134 0.00095 -0.00166 -0.00067
|
|
349 15G-3 -0.00250 0.00034 0.00150 -0.00032 0.00313
|
|
350 15G+4 0.00004 -0.00065 -0.00010 -0.00049 -0.00069
|
|
351 15G-4 -0.00049 0.00011 0.00028 -0.00054 0.00071
|
|
352 6 H 1S 0.00720 0.00972 -0.00934 -0.01535 -0.03455
|
|
353 2S -0.13112 -0.17233 0.05003 0.16127 0.39634
|
|
354 3S 1.41792 2.88465 -1.11362 -2.44471 -6.44173
|
|
355 4S 9.31075 8.90100 -4.38174 -4.97217 -19.86229
|
|
356 5S -0.30228 0.50794 0.41619 -0.00183 0.35075
|
|
357 6PX -0.00085 -0.00194 -0.00223 0.00038 -0.00683
|
|
358 6PY 0.00162 0.00116 -0.00160 -0.00123 -0.00687
|
|
359 6PZ 0.00110 -0.00360 0.00229 0.00347 0.00640
|
|
360 7PX 0.02050 0.02204 0.01708 -0.00614 0.01019
|
|
361 7PY -0.00383 0.00770 0.00270 0.00787 0.01786
|
|
362 7PZ -0.01435 -0.00189 -0.00104 0.00550 0.00889
|
|
363 8PX -0.47792 -0.49115 0.03735 0.30276 0.86896
|
|
364 8PY -0.25413 -0.41416 0.14046 0.19631 0.65576
|
|
365 8PZ 0.52484 0.77468 -0.41646 -0.64114 -1.70020
|
|
366 9PX -3.00517 -0.73544 0.26291 -0.20257 4.51550
|
|
367 9PY -1.53258 -1.35303 0.64502 -0.50232 1.73465
|
|
368 9PZ 2.83429 3.11635 -2.02888 -3.28745 -6.07854
|
|
369 10D 0 0.00047 -0.00562 0.00568 0.00545 0.00793
|
|
370 10D+1 0.00206 0.00587 -0.00026 -0.00413 -0.01678
|
|
371 10D-1 0.00365 0.00540 -0.00002 -0.00574 -0.01444
|
|
372 10D+2 -0.00231 0.00111 0.00232 -0.00487 -0.00334
|
|
373 10D-2 -0.00378 -0.00348 0.00179 0.00246 0.00650
|
|
374 11D 0 0.00558 0.05409 -0.04870 -0.04777 -0.10536
|
|
375 11D+1 -0.03722 -0.06381 0.01340 0.04981 0.16151
|
|
376 11D-1 -0.03531 -0.05777 0.01243 0.04975 0.13262
|
|
377 11D+2 0.01306 -0.00262 -0.00588 0.02082 0.01083
|
|
378 11D-2 0.03042 0.03196 -0.01085 -0.02105 -0.06732
|
|
379 12D 0 0.08691 0.23497 -0.25931 -0.52699 -0.48451
|
|
380 12D+1 -0.57197 -0.20612 0.05009 0.14725 0.61269
|
|
381 12D-1 -0.25575 -0.33184 0.27026 -0.05059 0.29870
|
|
382 12D+2 0.16316 -0.02959 0.10359 -0.13595 -0.25399
|
|
383 12D-2 0.22559 0.12404 0.03809 0.09372 -0.25147
|
|
384 13F 0 0.00161 -0.00012 -0.00042 0.00411 -0.00346
|
|
385 13F+1 -0.00079 -0.00287 0.00179 0.00210 0.00634
|
|
386 13F-1 -0.00100 0.00002 -0.00171 0.00139 0.00430
|
|
387 13F+2 -0.00116 0.00220 -0.00030 0.00047 -0.00049
|
|
388 13F-2 -0.00111 0.00301 0.00006 -0.00322 -0.00546
|
|
389 13F+3 -0.00018 -0.00102 0.00036 -0.00046 -0.00094
|
|
390 13F-3 -0.00130 0.00014 0.00133 0.00015 -0.00224
|
|
391 14F 0 -0.04336 0.01238 -0.03141 -0.08582 -0.00561
|
|
392 14F+1 -0.04540 -0.02781 0.01411 0.04103 0.07998
|
|
393 14F-1 -0.01901 -0.05268 0.04394 0.02314 0.04784
|
|
394 14F+2 0.03799 -0.01867 0.02412 -0.01800 -0.03257
|
|
395 14F-2 0.06166 0.02472 -0.00365 0.01141 -0.05459
|
|
396 14F+3 -0.00003 0.01659 -0.00570 0.01144 -0.00220
|
|
397 14F-3 -0.01433 -0.00773 -0.01707 -0.00120 0.03754
|
|
398 15G 0 -0.00314 -0.00084 -0.00050 -0.00329 0.00101
|
|
399 15G+1 -0.00049 -0.00185 0.00239 0.00347 0.00405
|
|
400 15G-1 -0.00016 -0.00225 0.00143 0.00315 0.00223
|
|
401 15G+2 0.00216 -0.00052 0.00164 -0.00117 -0.00252
|
|
402 15G-2 0.00372 0.00221 -0.00065 -0.00132 -0.00449
|
|
403 15G+3 0.00010 0.00134 -0.00095 0.00166 -0.00067
|
|
404 15G-3 -0.00250 -0.00034 -0.00150 0.00032 0.00313
|
|
405 15G+4 -0.00004 -0.00065 -0.00010 -0.00049 0.00069
|
|
406 15G-4 0.00049 0.00011 0.00028 -0.00054 -0.00071
|
|
66 67 68 69 70
|
|
V V V V V
|
|
Eigenvalues -- 1.30998 1.33235 1.34021 1.36557 1.37589
|
|
1 1 C 1S -0.01294 0.04229 0.00000 0.00000 -0.02142
|
|
2 2S -0.00941 -0.04135 0.00000 0.00000 0.05448
|
|
3 3S -0.20616 0.21626 0.00000 0.00000 0.17024
|
|
4 4S 1.83943 -2.04069 0.00000 0.00000 -2.90485
|
|
5 5S -3.60631 2.58507 0.00000 0.00000 13.75560
|
|
6 6S -4.24008 8.00704 0.00000 0.00000 1.26966
|
|
7 7PX 0.03160 0.01061 0.00000 0.00000 -0.00171
|
|
8 7PY 0.00041 0.03486 0.00000 0.00000 -0.05941
|
|
9 7PZ 0.00000 0.00000 -0.02342 -0.00758 0.00000
|
|
10 8PX -0.57766 -0.32676 0.00000 0.00000 -0.20415
|
|
11 8PY -0.10337 0.18395 0.00000 0.00000 -0.16645
|
|
12 8PZ 0.00000 0.00000 0.62029 -0.12211 0.00000
|
|
13 9PX 6.23903 3.27959 0.00000 0.00000 1.54894
|
|
14 9PY 0.73089 0.12656 0.00000 0.00000 -0.67759
|
|
15 9PZ 0.00000 0.00000 -6.39304 1.58586 0.00000
|
|
16 10PX 19.20509 8.95230 0.00000 0.00000 2.26504
|
|
17 10PY 5.84623 -10.33208 0.00000 0.00000 9.67241
|
|
18 10PZ 0.00000 0.00000 -16.90176 4.88950 0.00000
|
|
19 11PX 0.91293 0.08896 0.00000 0.00000 0.12946
|
|
20 11PY 0.58807 -1.84361 0.00000 0.00000 0.67148
|
|
21 11PZ 0.00000 0.00000 -0.18308 0.60285 0.00000
|
|
22 12D 0 -0.01557 -0.01559 0.00000 0.00000 0.00146
|
|
23 12D+1 0.00000 0.00000 0.01902 -0.00568 0.00000
|
|
24 12D-1 0.00000 0.00000 0.00818 0.00226 0.00000
|
|
25 12D+2 0.01764 -0.00634 0.00000 0.00000 0.00524
|
|
26 12D-2 -0.00982 -0.00276 0.00000 0.00000 -0.00322
|
|
27 13D 0 -0.02648 0.02272 0.00000 0.00000 -0.05248
|
|
28 13D+1 0.00000 0.00000 0.01246 0.00944 0.00000
|
|
29 13D-1 0.00000 0.00000 0.03784 -0.01503 0.00000
|
|
30 13D+2 -0.01509 0.06828 0.00000 0.00000 -0.03793
|
|
31 13D-2 -0.01520 -0.02543 0.00000 0.00000 -0.00921
|
|
32 14D 0 2.80111 1.22126 0.00000 0.00000 0.60100
|
|
33 14D+1 0.00000 0.00000 -2.68022 0.39257 0.00000
|
|
34 14D-1 0.00000 0.00000 -1.76927 1.14572 0.00000
|
|
35 14D+2 -1.41155 -1.18503 0.00000 0.00000 -0.63242
|
|
36 14D-2 1.78133 0.80366 0.00000 0.00000 -0.33827
|
|
37 15D 0 5.14718 1.36269 0.00000 0.00000 2.69307
|
|
38 15D+1 0.00000 0.00000 -5.24629 -0.92222 0.00000
|
|
39 15D-1 0.00000 0.00000 -3.87576 -0.57625 0.00000
|
|
40 15D+2 -2.06680 -4.05162 0.00000 0.00000 1.56697
|
|
41 15D-2 2.73480 1.63031 0.00000 0.00000 1.89856
|
|
42 16F 0 0.00000 0.00000 0.00725 0.01196 0.00000
|
|
43 16F+1 0.00571 -0.00480 0.00000 0.00000 -0.01622
|
|
44 16F-1 -0.00626 -0.01874 0.00000 0.00000 -0.01487
|
|
45 16F+2 0.00000 0.00000 0.00932 -0.00042 0.00000
|
|
46 16F-2 0.00000 0.00000 0.01458 -0.00758 0.00000
|
|
47 16F+3 -0.01510 -0.00502 0.00000 0.00000 0.00381
|
|
48 16F-3 0.02008 -0.01150 0.00000 0.00000 -0.01831
|
|
49 17F 0 0.00000 0.00000 -0.13788 -0.11546 0.00000
|
|
50 17F+1 0.00464 0.07399 0.00000 0.00000 0.10510
|
|
51 17F-1 0.21589 0.17994 0.00000 0.00000 0.13007
|
|
52 17F+2 0.00000 0.00000 -0.16035 0.02214 0.00000
|
|
53 17F-2 0.00000 0.00000 -0.26135 0.12634 0.00000
|
|
54 17F+3 0.21886 0.10346 0.00000 0.00000 0.06016
|
|
55 17F-3 -0.22693 0.01121 0.00000 0.00000 0.17564
|
|
56 18F 0 0.00000 0.00000 -1.17486 -0.85160 0.00000
|
|
57 18F+1 -0.38979 0.88646 0.00000 0.00000 1.43013
|
|
58 18F-1 0.76494 0.72500 0.00000 0.00000 0.14783
|
|
59 18F+2 0.00000 0.00000 -1.53159 -0.14554 0.00000
|
|
60 18F-2 0.00000 0.00000 -0.83665 0.60476 0.00000
|
|
61 18F+3 1.13517 0.79500 0.00000 0.00000 0.93989
|
|
62 18F-3 -1.04512 0.17268 0.00000 0.00000 0.98350
|
|
63 19G 0 -0.01100 -0.00963 0.00000 0.00000 0.00262
|
|
64 19G+1 0.00000 0.00000 -0.01360 0.00298 0.00000
|
|
65 19G-1 0.00000 0.00000 -0.01958 -0.00118 0.00000
|
|
66 19G+2 0.01190 0.00194 0.00000 0.00000 0.00673
|
|
67 19G-2 0.01369 0.00352 0.00000 0.00000 -0.00542
|
|
68 19G+3 0.00000 0.00000 0.01084 -0.00289 0.00000
|
|
69 19G-3 0.00000 0.00000 -0.01281 -0.00845 0.00000
|
|
70 19G+4 -0.00588 -0.00664 0.00000 0.00000 0.00441
|
|
71 19G-4 0.01235 0.01082 0.00000 0.00000 0.01444
|
|
72 20G 0 -0.15416 -0.01074 0.00000 0.00000 -0.04524
|
|
73 20G+1 0.00000 0.00000 -0.35169 -0.00707 0.00000
|
|
74 20G-1 0.00000 0.00000 -0.11057 -0.00424 0.00000
|
|
75 20G+2 0.16792 0.19866 0.00000 0.00000 0.04305
|
|
76 20G-2 0.01018 0.05676 0.00000 0.00000 0.26856
|
|
77 20G+3 0.00000 0.00000 -0.03254 -0.12655 0.00000
|
|
78 20G-3 0.00000 0.00000 -0.11608 0.15360 0.00000
|
|
79 20G+4 -0.12221 0.00078 0.00000 0.00000 -0.23176
|
|
80 20G-4 0.18893 0.05621 0.00000 0.00000 -0.16105
|
|
81 21H 0 0.00000 0.00000 0.01057 0.00300 0.00000
|
|
82 21H+1 0.01771 0.01278 0.00000 0.00000 0.00654
|
|
83 21H-1 0.00219 -0.00471 0.00000 0.00000 0.01323
|
|
84 21H+2 0.00000 0.00000 -0.00846 -0.01502 0.00000
|
|
85 21H-2 0.00000 0.00000 -0.03920 0.00907 0.00000
|
|
86 21H+3 -0.01149 -0.00315 0.00000 0.00000 -0.02053
|
|
87 21H-3 0.02777 0.00990 0.00000 0.00000 0.00809
|
|
88 21H+4 0.00000 0.00000 0.00490 -0.00720 0.00000
|
|
89 21H-4 0.00000 0.00000 -0.00414 -0.00559 0.00000
|
|
90 21H+5 -0.00203 0.00062 0.00000 0.00000 0.02601
|
|
91 21H-5 -0.01897 -0.01790 0.00000 0.00000 0.01029
|
|
92 2 S 1S 0.01684 -0.01961 0.00000 0.00000 -0.00153
|
|
93 2S -0.02184 0.01443 0.00000 0.00000 0.00869
|
|
94 3S 0.09955 -0.15585 0.00000 0.00000 0.01406
|
|
95 4S -0.00297 -0.35134 0.00000 0.00000 0.15549
|
|
96 5S 0.19333 2.22232 0.00000 0.00000 -0.35964
|
|
97 6S -0.63124 -4.62981 0.00000 0.00000 0.74033
|
|
98 7S 5.04745 -11.08916 0.00000 0.00000 0.35753
|
|
99 8PX 0.00189 -0.00606 0.00000 0.00000 -0.00762
|
|
100 8PY 0.02495 -0.02527 0.00000 0.00000 0.00199
|
|
101 8PZ 0.00000 0.00000 0.02132 -0.01351 0.00000
|
|
102 9PX 0.01334 0.02580 0.00000 0.00000 0.02281
|
|
103 9PY -0.02982 0.03860 0.00000 0.00000 -0.02627
|
|
104 9PZ 0.00000 0.00000 -0.02305 0.00776 0.00000
|
|
105 10PX 0.07660 0.10319 0.00000 0.00000 0.10594
|
|
106 10PY 0.09729 -0.08011 0.00000 0.00000 -0.12981
|
|
107 10PZ 0.00000 0.00000 0.05184 -0.07759 0.00000
|
|
108 11PX 0.08562 -0.20528 0.00000 0.00000 -0.58503
|
|
109 11PY -1.28679 1.43545 0.00000 0.00000 0.40729
|
|
110 11PZ 0.00000 0.00000 -0.32138 0.37257 0.00000
|
|
111 12PX -2.30015 -0.67462 0.00000 0.00000 -0.95513
|
|
112 12PY 6.34911 -9.28496 0.00000 0.00000 2.78963
|
|
113 12PZ 0.00000 0.00000 -0.23431 -0.25077 0.00000
|
|
114 13PX -0.06048 0.25199 0.00000 0.00000 0.53525
|
|
115 13PY 0.92068 -2.37786 0.00000 0.00000 -0.11113
|
|
116 13PZ 0.00000 0.00000 -0.56387 -0.02974 0.00000
|
|
117 14D 0 -0.59139 2.30729 0.00000 0.00000 0.17519
|
|
118 14D+1 0.00000 0.00000 0.21165 2.52125 0.00000
|
|
119 14D-1 0.00000 0.00000 -1.92430 -1.25919 0.00000
|
|
120 14D+2 -3.47281 3.64769 0.00000 0.00000 0.74843
|
|
121 14D-2 0.65533 1.00842 0.00000 0.00000 2.94337
|
|
122 15D 0 -0.17089 -0.00261 0.00000 0.00000 0.32938
|
|
123 15D+1 0.00000 0.00000 0.13257 -0.84215 0.00000
|
|
124 15D-1 0.00000 0.00000 0.81583 0.01991 0.00000
|
|
125 15D+2 0.19971 -0.57842 0.00000 0.00000 -0.77902
|
|
126 15D-2 -0.18992 -0.30359 0.00000 0.00000 -0.33809
|
|
127 16D 0 -0.01856 -0.11634 0.00000 0.00000 0.00777
|
|
128 16D+1 0.00000 0.00000 -0.01470 -0.03216 0.00000
|
|
129 16D-1 0.00000 0.00000 0.07294 0.01955 0.00000
|
|
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380 12D+1 0.35112 -0.00530 0.16246 -0.25046 -0.13953
|
|
381 12D-1 0.40728 0.36961 0.79643 0.03509 -0.07059
|
|
382 12D+2 -0.13217 0.13990 0.07397 0.05816 0.00847
|
|
383 12D-2 -0.11140 -0.14720 -0.48469 -0.07050 -0.04643
|
|
384 13F 0 -0.00177 -0.00215 -0.00401 0.00075 0.00039
|
|
385 13F+1 0.00311 0.00405 0.01050 0.00141 0.00866
|
|
386 13F-1 -0.00293 0.00082 0.00464 -0.00044 0.00291
|
|
387 13F+2 -0.00196 -0.00115 -0.00459 -0.00101 0.00166
|
|
388 13F-2 -0.00483 -0.00459 -0.00288 0.00084 -0.00501
|
|
389 13F+3 0.00019 0.00195 -0.00088 -0.00230 0.00248
|
|
390 13F-3 0.00095 0.00322 -0.00366 -0.00075 0.00234
|
|
391 14F 0 -0.00307 0.01567 0.03670 0.06063 -0.01395
|
|
392 14F+1 0.03966 -0.01209 0.00841 -0.04573 -0.03491
|
|
393 14F-1 0.08569 0.02599 0.06993 -0.00187 -0.02430
|
|
394 14F+2 0.01273 0.03123 0.04786 0.03332 -0.01049
|
|
395 14F-2 -0.02843 -0.00166 -0.08519 -0.01063 0.02311
|
|
396 14F+3 -0.00768 -0.02606 -0.02860 0.00136 -0.01739
|
|
397 14F-3 0.00497 -0.01726 0.03719 -0.00216 -0.01068
|
|
398 15G 0 0.00075 0.00002 0.00313 0.00359 -0.00145
|
|
399 15G+1 0.00219 -0.00072 0.00033 -0.00233 -0.00111
|
|
400 15G-1 0.00335 -0.00027 0.00177 -0.00118 -0.00215
|
|
401 15G+2 0.00015 0.00181 0.00177 0.00217 0.00055
|
|
402 15G-2 -0.00393 0.00031 -0.00405 -0.00034 0.00150
|
|
403 15G+3 -0.00133 -0.00159 -0.00295 -0.00103 0.00013
|
|
404 15G-3 0.00081 -0.00094 0.00158 -0.00148 -0.00029
|
|
405 15G+4 0.00025 0.00080 0.00088 0.00001 0.00106
|
|
406 15G-4 -0.00057 0.00024 0.00076 0.00044 0.00006
|
|
71 72 73 74 75
|
|
V V V V V
|
|
Eigenvalues -- 1.42143 1.46190 1.51698 1.52169 1.56580
|
|
1 1 C 1S 0.00378 0.00000 0.00000 -0.01492 0.00000
|
|
2 2S 0.00663 0.00000 0.00000 0.04826 0.00000
|
|
3 3S 0.16353 0.00000 0.00000 0.16396 0.00000
|
|
4 4S -2.40792 0.00000 0.00000 -2.06516 0.00000
|
|
5 5S 7.75487 0.00000 0.00000 5.01612 0.00000
|
|
6 6S -2.60852 0.00000 0.00000 0.36257 0.00000
|
|
7 7PX -0.00572 0.00000 0.00000 -0.00714 0.00000
|
|
8 7PY -0.03543 0.00000 0.00000 -0.01334 0.00000
|
|
9 7PZ 0.00000 -0.00580 -0.00441 0.00000 0.01197
|
|
10 8PX 0.08324 0.00000 0.00000 -0.09385 0.00000
|
|
11 8PY -0.05913 0.00000 0.00000 -0.12855 0.00000
|
|
12 8PZ 0.00000 -0.03016 -0.08826 0.00000 -0.05768
|
|
13 9PX -0.46597 0.00000 0.00000 1.28378 0.00000
|
|
14 9PY -0.73292 0.00000 0.00000 0.26889 0.00000
|
|
15 9PZ 0.00000 0.89985 0.78519 0.00000 -2.81819
|
|
16 10PX -0.09577 0.00000 0.00000 -1.06808 0.00000
|
|
17 10PY 6.09266 0.00000 0.00000 -0.89770 0.00000
|
|
18 10PZ 0.00000 -0.39203 0.95301 0.00000 9.67955
|
|
19 11PX -0.31153 0.00000 0.00000 0.16425 0.00000
|
|
20 11PY 0.57742 0.00000 0.00000 0.11574 0.00000
|
|
21 11PZ 0.00000 -0.16632 0.47128 0.00000 1.32580
|
|
22 12D 0 -0.00123 0.00000 0.00000 -0.00787 0.00000
|
|
23 12D+1 0.00000 -0.00067 -0.01397 0.00000 -0.00196
|
|
24 12D-1 0.00000 -0.00045 0.01849 0.00000 -0.00085
|
|
25 12D+2 -0.00341 0.00000 0.00000 0.00434 0.00000
|
|
26 12D-2 0.00128 0.00000 0.00000 0.01586 0.00000
|
|
27 13D 0 0.01164 0.00000 0.00000 -0.00842 0.00000
|
|
28 13D+1 0.00000 0.00509 0.01497 0.00000 -0.06126
|
|
29 13D-1 0.00000 0.00372 -0.11469 0.00000 -0.01176
|
|
30 13D+2 -0.02357 0.00000 0.00000 -0.00504 0.00000
|
|
31 13D-2 0.00176 0.00000 0.00000 -0.09832 0.00000
|
|
32 14D 0 -0.92090 0.00000 0.00000 0.70184 0.00000
|
|
33 14D+1 0.00000 0.51872 -0.06408 0.00000 -1.45943
|
|
34 14D-1 0.00000 0.24177 2.56110 0.00000 -0.98068
|
|
35 14D+2 -0.38650 0.00000 0.00000 -0.59726 0.00000
|
|
36 14D-2 0.12594 0.00000 0.00000 2.43110 0.00000
|
|
37 15D 0 -0.41664 0.00000 0.00000 0.62211 0.00000
|
|
38 15D+1 0.00000 -1.07640 2.27642 0.00000 6.05977
|
|
39 15D-1 0.00000 0.81263 0.42111 0.00000 -4.33885
|
|
40 15D+2 2.35652 0.00000 0.00000 -0.75630 0.00000
|
|
41 15D-2 -0.91044 0.00000 0.00000 0.23064 0.00000
|
|
42 16F 0 0.00000 -0.04096 0.00983 0.00000 -0.02061
|
|
43 16F+1 -0.01164 0.00000 0.00000 -0.00636 0.00000
|
|
44 16F-1 -0.02141 0.00000 0.00000 -0.02391 0.00000
|
|
45 16F+2 0.00000 0.03327 0.02654 0.00000 0.00562
|
|
46 16F-2 0.00000 0.00305 -0.01827 0.00000 0.01044
|
|
47 16F+3 0.00636 0.00000 0.00000 0.02395 0.00000
|
|
48 16F-3 -0.02676 0.00000 0.00000 0.01071 0.00000
|
|
49 17F 0 0.00000 0.49887 -0.11693 0.00000 0.21285
|
|
50 17F+1 0.03776 0.00000 0.00000 -0.00467 0.00000
|
|
51 17F-1 0.13090 0.00000 0.00000 0.31311 0.00000
|
|
52 17F+2 0.00000 -0.38119 -0.30916 0.00000 -0.06533
|
|
53 17F-2 0.00000 -0.00101 0.25874 0.00000 -0.22375
|
|
54 17F+3 -0.05920 0.00000 0.00000 -0.22931 0.00000
|
|
55 17F-3 0.21331 0.00000 0.00000 -0.19666 0.00000
|
|
56 18F 0 0.00000 2.91760 -0.60534 0.00000 0.45309
|
|
57 18F+1 0.47580 0.00000 0.00000 0.48069 0.00000
|
|
58 18F-1 0.16883 0.00000 0.00000 2.14666 0.00000
|
|
59 18F+2 0.00000 -2.04729 -1.37973 0.00000 -1.03205
|
|
60 18F-2 0.00000 -0.07758 1.48007 0.00000 -0.26983
|
|
61 18F+3 -0.87485 0.00000 0.00000 -1.41798 0.00000
|
|
62 18F-3 0.21715 0.00000 0.00000 -0.73167 0.00000
|
|
63 19G 0 0.00504 0.00000 0.00000 -0.01502 0.00000
|
|
64 19G+1 0.00000 0.00234 0.01267 0.00000 -0.00498
|
|
65 19G-1 0.00000 -0.01053 -0.00614 0.00000 -0.00784
|
|
66 19G+2 0.00598 0.00000 0.00000 0.00748 0.00000
|
|
67 19G-2 -0.00919 0.00000 0.00000 -0.01346 0.00000
|
|
68 19G+3 0.00000 -0.00422 -0.01234 0.00000 0.00951
|
|
69 19G-3 0.00000 0.01264 -0.00891 0.00000 -0.00713
|
|
70 19G+4 0.00788 0.00000 0.00000 -0.00138 0.00000
|
|
71 19G-4 -0.00339 0.00000 0.00000 -0.00580 0.00000
|
|
72 20G 0 -0.11269 0.00000 0.00000 -0.06143 0.00000
|
|
73 20G+1 0.00000 -0.07461 -0.26848 0.00000 0.17736
|
|
74 20G-1 0.00000 0.43541 0.16716 0.00000 0.14423
|
|
75 20G+2 -0.15085 0.00000 0.00000 -0.31726 0.00000
|
|
76 20G-2 0.21511 0.00000 0.00000 0.21382 0.00000
|
|
77 20G+3 0.00000 0.12315 -0.26230 0.00000 -0.07920
|
|
78 20G-3 0.00000 -0.47001 0.03145 0.00000 -0.09228
|
|
79 20G+4 -0.05269 0.00000 0.00000 0.20938 0.00000
|
|
80 20G-4 -0.08734 0.00000 0.00000 0.15992 0.00000
|
|
81 21H 0 0.00000 -0.00988 -0.00950 0.00000 0.01909
|
|
82 21H+1 -0.02254 0.00000 0.00000 -0.02534 0.00000
|
|
83 21H-1 -0.00562 0.00000 0.00000 -0.00483 0.00000
|
|
84 21H+2 0.00000 -0.00300 -0.05821 0.00000 -0.00654
|
|
85 21H-2 0.00000 -0.00592 0.01649 0.00000 0.01195
|
|
86 21H+3 -0.01846 0.00000 0.00000 -0.02194 0.00000
|
|
87 21H-3 0.00153 0.00000 0.00000 0.01240 0.00000
|
|
88 21H+4 0.00000 0.00777 -0.02022 0.00000 0.01594
|
|
89 21H-4 0.00000 0.01121 -0.01937 0.00000 -0.02105
|
|
90 21H+5 0.00567 0.00000 0.00000 -0.04084 0.00000
|
|
91 21H-5 0.00904 0.00000 0.00000 -0.01590 0.00000
|
|
92 2 S 1S -0.01697 0.00000 0.00000 -0.00699 0.00000
|
|
93 2S 0.00853 0.00000 0.00000 0.00810 0.00000
|
|
94 3S -0.14663 0.00000 0.00000 -0.04700 0.00000
|
|
95 4S -0.35204 0.00000 0.00000 -0.01569 0.00000
|
|
96 5S 1.37741 0.00000 0.00000 -0.49182 0.00000
|
|
97 6S -0.55259 0.00000 0.00000 2.46410 0.00000
|
|
98 7S -5.27196 0.00000 0.00000 -0.83249 0.00000
|
|
99 8PX -0.00034 0.00000 0.00000 0.01064 0.00000
|
|
100 8PY 0.00964 0.00000 0.00000 -0.01575 0.00000
|
|
101 8PZ 0.00000 0.00520 0.01637 0.00000 -0.04116
|
|
102 9PX 0.01743 0.00000 0.00000 -0.03115 0.00000
|
|
103 9PY -0.02815 0.00000 0.00000 0.01694 0.00000
|
|
104 9PZ 0.00000 -0.00524 -0.01532 0.00000 0.03583
|
|
105 10PX 0.04904 0.00000 0.00000 -0.10364 0.00000
|
|
106 10PY -0.09219 0.00000 0.00000 -0.05567 0.00000
|
|
107 10PZ 0.00000 0.02124 0.06344 0.00000 -0.19026
|
|
108 11PX 0.72961 0.00000 0.00000 0.16175 0.00000
|
|
109 11PY 0.42952 0.00000 0.00000 0.60274 0.00000
|
|
110 11PZ 0.00000 -0.26515 -0.33585 0.00000 1.65689
|
|
111 12PX -7.39746 0.00000 0.00000 2.85644 0.00000
|
|
112 12PY 1.23377 0.00000 0.00000 -2.98698 0.00000
|
|
113 12PZ 0.00000 1.20711 -0.37282 0.00000 -5.21275
|
|
114 13PX -1.15431 0.00000 0.00000 -0.29294 0.00000
|
|
115 13PY -1.03654 0.00000 0.00000 -0.07744 0.00000
|
|
116 13PZ 0.00000 0.16462 -0.30852 0.00000 -0.62512
|
|
117 14D 0 3.50950 0.00000 0.00000 0.31880 0.00000
|
|
118 14D+1 0.00000 0.96081 -0.84718 0.00000 -0.94191
|
|
119 14D-1 0.00000 0.71400 -0.09241 0.00000 -4.75159
|
|
120 14D+2 -2.27868 0.00000 0.00000 2.06283 0.00000
|
|
121 14D-2 -0.88923 0.00000 0.00000 0.07712 0.00000
|
|
122 15D 0 -0.92281 0.00000 0.00000 -0.03930 0.00000
|
|
123 15D+1 0.00000 -0.18148 0.32827 0.00000 -0.03940
|
|
124 15D-1 0.00000 -0.14520 -0.36346 0.00000 0.84315
|
|
125 15D+2 -0.48297 0.00000 0.00000 0.50321 0.00000
|
|
126 15D-2 0.29123 0.00000 0.00000 -0.46885 0.00000
|
|
127 16D 0 -0.05067 0.00000 0.00000 0.03241 0.00000
|
|
128 16D+1 0.00000 -0.01633 0.02181 0.00000 0.02453
|
|
129 16D-1 0.00000 0.00423 0.04311 0.00000 -0.03391
|
|
130 16D+2 0.10537 0.00000 0.00000 -0.06967 0.00000
|
|
131 16D-2 0.02076 0.00000 0.00000 0.04025 0.00000
|
|
132 17D 0 -0.08705 0.00000 0.00000 0.02147 0.00000
|
|
133 17D+1 0.00000 -0.02200 0.03971 0.00000 -0.00085
|
|
134 17D-1 0.00000 -0.01060 -0.02827 0.00000 0.05657
|
|
135 17D+2 -0.01334 0.00000 0.00000 0.01471 0.00000
|
|
136 17D-2 0.03716 0.00000 0.00000 -0.03561 0.00000
|
|
137 18F 0 0.00000 -0.65333 0.02400 0.00000 1.39210
|
|
138 18F+1 0.76287 0.00000 0.00000 -0.16959 0.00000
|
|
139 18F-1 1.14577 0.00000 0.00000 0.65416 0.00000
|
|
140 18F+2 0.00000 0.23283 -0.44073 0.00000 1.73646
|
|
141 18F-2 0.00000 0.34257 -0.13415 0.00000 -0.92980
|
|
142 18F+3 -0.86158 0.00000 0.00000 -0.00926 0.00000
|
|
143 18F-3 0.31145 0.00000 0.00000 0.42590 0.00000
|
|
144 19F 0 0.00000 0.03514 0.18540 0.00000 0.01838
|
|
145 19F+1 0.21746 0.00000 0.00000 -0.07672 0.00000
|
|
146 19F-1 -0.15390 0.00000 0.00000 -0.06228 0.00000
|
|
147 19F+2 0.00000 0.00787 0.12492 0.00000 -0.25394
|
|
148 19F-2 0.00000 -0.08389 0.02528 0.00000 0.15700
|
|
149 19F+3 -0.13028 0.00000 0.00000 0.38391 0.00000
|
|
150 19F-3 0.08329 0.00000 0.00000 0.01368 0.00000
|
|
151 20F 0 0.00000 -0.01159 -0.03700 0.00000 -0.00746
|
|
152 20F+1 -0.04226 0.00000 0.00000 -0.01221 0.00000
|
|
153 20F-1 0.01969 0.00000 0.00000 0.01001 0.00000
|
|
154 20F+2 0.00000 0.00627 -0.03312 0.00000 0.03144
|
|
155 20F-2 0.00000 0.01904 -0.01206 0.00000 -0.02945
|
|
156 20F+3 0.01154 0.00000 0.00000 -0.04663 0.00000
|
|
157 20F-3 -0.05939 0.00000 0.00000 -0.00187 0.00000
|
|
158 21G 0 -0.23162 0.00000 0.00000 -0.02074 0.00000
|
|
159 21G+1 0.00000 -0.07819 0.08475 0.00000 0.10162
|
|
160 21G-1 0.00000 -0.02818 0.10002 0.00000 0.19364
|
|
161 21G+2 0.03372 0.00000 0.00000 -0.10451 0.00000
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|
162 21G-2 0.01996 0.00000 0.00000 0.06283 0.00000
|
|
163 21G+3 0.00000 0.06725 -0.06208 0.00000 0.03600
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|
164 21G-3 0.00000 -0.03626 0.11696 0.00000 0.22513
|
|
165 21G+4 -0.43930 0.00000 0.00000 0.07510 0.00000
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166 21G-4 0.10341 0.00000 0.00000 0.13461 0.00000
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167 22G 0 0.02628 0.00000 0.00000 0.01392 0.00000
|
|
168 22G+1 0.00000 0.00314 -0.00695 0.00000 0.00093
|
|
169 22G-1 0.00000 0.00582 -0.00835 0.00000 -0.02929
|
|
170 22G+2 0.02229 0.00000 0.00000 -0.00776 0.00000
|
|
171 22G-2 -0.00029 0.00000 0.00000 -0.00491 0.00000
|
|
172 22G+3 0.00000 -0.00188 0.00189 0.00000 -0.02284
|
|
173 22G-3 0.00000 0.00222 -0.01002 0.00000 -0.03002
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174 22G+4 0.03725 0.00000 0.00000 0.01301 0.00000
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175 22G-4 -0.00819 0.00000 0.00000 -0.01240 0.00000
|
|
176 23H 0 0.00000 0.01752 -0.00765 0.00000 -0.03006
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|
177 23H+1 -0.02819 0.00000 0.00000 0.00848 0.00000
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178 23H-1 -0.02005 0.00000 0.00000 -0.01019 0.00000
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179 23H+2 0.00000 -0.00987 0.01284 0.00000 -0.00949
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180 23H-2 0.00000 -0.00422 0.00099 0.00000 0.00659
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181 23H+3 0.03099 0.00000 0.00000 -0.01075 0.00000
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182 23H-3 -0.02498 0.00000 0.00000 -0.00869 0.00000
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183 23H+4 0.00000 0.01055 -0.01101 0.00000 -0.04241
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184 23H-4 0.00000 -0.00105 0.00355 0.00000 0.01294
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185 23H+5 -0.04687 0.00000 0.00000 0.01268 0.00000
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186 23H-5 -0.01668 0.00000 0.00000 -0.00117 0.00000
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187 3 H 1S 0.00961 0.00000 0.00000 -0.00948 0.00000
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188 2S -0.16714 0.00000 0.00000 0.12106 0.00000
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189 3S 2.65500 0.00000 0.00000 -0.89169 0.00000
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190 4S 8.32443 0.00000 0.00000 -3.71460 0.00000
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191 5S -0.03285 0.00000 0.00000 0.50835 0.00000
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192 6PX -0.00437 0.00000 0.00000 0.00805 0.00000
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193 6PY 0.00203 0.00000 0.00000 0.00057 0.00000
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194 6PZ 0.00000 -0.00682 0.00519 0.00000 0.00242
|
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195 7PX 0.03326 0.00000 0.00000 -0.06049 0.00000
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196 7PY -0.01585 0.00000 0.00000 0.00312 0.00000
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197 7PZ 0.00000 0.03935 -0.02977 0.00000 -0.02325
|
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198 8PX -0.81707 0.00000 0.00000 0.49278 0.00000
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199 8PY 0.12641 0.00000 0.00000 -0.05810 0.00000
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200 8PZ 0.00000 -0.16343 0.13756 0.00000 0.07913
|
|
201 9PX -2.51807 0.00000 0.00000 1.88931 0.00000
|
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202 9PY 1.58820 0.00000 0.00000 -0.54232 0.00000
|
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203 9PZ 0.00000 -0.76365 0.54324 0.00000 0.18176
|
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204 10D 0 0.00249 0.00000 0.00000 -0.01325 0.00000
|
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205 10D+1 0.00000 0.00366 -0.00368 0.00000 -0.00007
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206 10D-1 0.00000 -0.01503 0.01670 0.00000 0.01974
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207 10D+2 -0.01243 0.00000 0.00000 -0.00235 0.00000
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208 10D-2 -0.00422 0.00000 0.00000 0.00198 0.00000
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209 11D 0 -0.03410 0.00000 0.00000 0.06299 0.00000
|
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210 11D+1 0.00000 -0.02235 0.02001 0.00000 0.00535
|
|
211 11D-1 0.00000 0.07097 -0.07533 0.00000 -0.09413
|
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212 11D+2 0.10185 0.00000 0.00000 0.00211 0.00000
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213 11D-2 0.01663 0.00000 0.00000 -0.00934 0.00000
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214 12D 0 -0.04544 0.00000 0.00000 0.02481 0.00000
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215 12D+1 0.00000 0.28339 -0.25448 0.00000 -0.27466
|
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216 12D-1 0.00000 -0.31249 0.26736 0.00000 0.38581
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217 12D+2 -0.11527 0.00000 0.00000 -0.44710 0.00000
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218 12D-2 -0.32986 0.00000 0.00000 0.27154 0.00000
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219 13F 0 0.00000 -0.00338 0.00221 0.00000 0.00702
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220 13F+1 0.00729 0.00000 0.00000 0.00242 0.00000
|
|
221 13F-1 0.00165 0.00000 0.00000 -0.00454 0.00000
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222 13F+2 0.00000 -0.00025 -0.00130 0.00000 -0.00064
|
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223 13F-2 0.00000 -0.00222 -0.00103 0.00000 0.00208
|
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224 13F+3 -0.01327 0.00000 0.00000 0.00209 0.00000
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225 13F-3 0.00193 0.00000 0.00000 0.00377 0.00000
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226 14F 0 0.00000 0.03077 -0.02156 0.00000 -0.06171
|
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227 14F+1 -0.02469 0.00000 0.00000 -0.04385 0.00000
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228 14F-1 -0.01529 0.00000 0.00000 0.02879 0.00000
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229 14F+2 0.00000 -0.01058 0.02017 0.00000 0.03277
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230 14F-2 0.00000 0.01900 0.00304 0.00000 -0.01573
|
|
231 14F+3 0.05413 0.00000 0.00000 0.02798 0.00000
|
|
232 14F-3 0.01803 0.00000 0.00000 -0.05383 0.00000
|
|
233 15G 0 -0.00016 0.00000 0.00000 -0.00103 0.00000
|
|
234 15G+1 0.00000 -0.00089 0.00080 0.00000 0.00325
|
|
235 15G-1 0.00000 0.00039 -0.00020 0.00000 -0.00043
|
|
236 15G+2 0.00077 0.00000 0.00000 0.00113 0.00000
|
|
237 15G-2 0.00058 0.00000 0.00000 -0.00064 0.00000
|
|
238 15G+3 0.00000 0.00047 -0.00049 0.00000 -0.00269
|
|
239 15G-3 0.00000 -0.00036 0.00057 0.00000 0.00011
|
|
240 15G+4 -0.00054 0.00000 0.00000 -0.00208 0.00000
|
|
241 15G-4 -0.00166 0.00000 0.00000 0.00262 0.00000
|
|
242 4 H 1S -0.00174 0.00000 0.00000 -0.00591 0.00000
|
|
243 2S 0.04465 0.00000 0.00000 -0.11769 0.00000
|
|
244 3S -3.31104 0.00000 0.00000 0.58783 0.00000
|
|
245 4S -0.64636 0.00000 0.00000 1.25193 0.00000
|
|
246 5S -0.12259 0.00000 0.00000 -0.11430 0.00000
|
|
247 6PX 0.00684 0.00000 0.00000 0.00932 0.00000
|
|
248 6PY 0.00539 0.00000 0.00000 -0.00095 0.00000
|
|
249 6PZ 0.00000 0.01186 0.01652 0.00000 0.01280
|
|
250 7PX -0.04297 0.00000 0.00000 -0.09829 0.00000
|
|
251 7PY -0.02608 0.00000 0.00000 -0.06015 0.00000
|
|
252 7PZ 0.00000 -0.13657 -0.08401 0.00000 -0.06093
|
|
253 8PX -0.65157 0.00000 0.00000 1.00147 0.00000
|
|
254 8PY 0.32703 0.00000 0.00000 0.75705 0.00000
|
|
255 8PZ 0.00000 1.41161 0.49996 0.00000 0.19167
|
|
256 9PX 0.08160 0.00000 0.00000 1.01883 0.00000
|
|
257 9PY -1.26162 0.00000 0.00000 1.23828 0.00000
|
|
258 9PZ 0.00000 1.76240 1.43813 0.00000 2.15273
|
|
259 10D 0 -0.00943 0.00000 0.00000 0.00817 0.00000
|
|
260 10D+1 0.00000 -0.02004 0.00934 0.00000 0.01245
|
|
261 10D-1 0.00000 0.00559 -0.00715 0.00000 -0.01453
|
|
262 10D+2 0.00208 0.00000 0.00000 -0.01675 0.00000
|
|
263 10D-2 0.00218 0.00000 0.00000 -0.02015 0.00000
|
|
264 11D 0 0.08320 0.00000 0.00000 -0.03743 0.00000
|
|
265 11D+1 0.00000 0.16252 -0.04389 0.00000 -0.08661
|
|
266 11D-1 0.00000 -0.02700 0.03674 0.00000 0.07828
|
|
267 11D+2 -0.06877 0.00000 0.00000 0.12446 0.00000
|
|
268 11D-2 0.01040 0.00000 0.00000 0.12909 0.00000
|
|
269 12D 0 -0.24294 0.00000 0.00000 -0.12074 0.00000
|
|
270 12D+1 0.00000 1.33919 0.48035 0.00000 0.36577
|
|
271 12D-1 0.00000 -0.43459 -0.16285 0.00000 -0.19399
|
|
272 12D+2 0.05366 0.00000 0.00000 0.99750 0.00000
|
|
273 12D-2 -0.17217 0.00000 0.00000 0.66695 0.00000
|
|
274 13F 0 0.00000 0.00385 -0.00037 0.00000 -0.00167
|
|
275 13F+1 0.00740 0.00000 0.00000 0.00599 0.00000
|
|
276 13F-1 -0.00429 0.00000 0.00000 0.00223 0.00000
|
|
277 13F+2 0.00000 0.00403 -0.00028 0.00000 -0.00476
|
|
278 13F-2 0.00000 0.00621 -0.00101 0.00000 0.00285
|
|
279 13F+3 -0.00423 0.00000 0.00000 -0.00134 0.00000
|
|
280 13F-3 0.00405 0.00000 0.00000 -0.00223 0.00000
|
|
281 14F 0 0.00000 -0.17318 -0.01283 0.00000 0.02933
|
|
282 14F+1 -0.03100 0.00000 0.00000 -0.05261 0.00000
|
|
283 14F-1 0.03394 0.00000 0.00000 -0.07001 0.00000
|
|
284 14F+2 0.00000 0.17371 0.00917 0.00000 0.02176
|
|
285 14F-2 0.00000 -0.10585 0.01061 0.00000 0.01816
|
|
286 14F+3 -0.01029 0.00000 0.00000 0.22261 0.00000
|
|
287 14F-3 -0.05032 0.00000 0.00000 0.10890 0.00000
|
|
288 15G 0 0.00182 0.00000 0.00000 -0.00125 0.00000
|
|
289 15G+1 0.00000 -0.01160 -0.00195 0.00000 0.00140
|
|
290 15G-1 0.00000 0.00017 0.00019 0.00000 -0.00138
|
|
291 15G+2 0.00001 0.00000 0.00000 -0.00127 0.00000
|
|
292 15G-2 0.00195 0.00000 0.00000 -0.00594 0.00000
|
|
293 15G+3 0.00000 0.01102 -0.00202 0.00000 0.00166
|
|
294 15G-3 0.00000 -0.00524 0.00129 0.00000 0.00116
|
|
295 15G+4 -0.00087 0.00000 0.00000 0.01548 0.00000
|
|
296 15G-4 -0.00269 0.00000 0.00000 0.00061 0.00000
|
|
297 5 H 1S 0.00121 0.00302 0.00412 0.00914 -0.01363
|
|
298 2S -0.03207 0.03518 0.06944 0.03501 -0.13074
|
|
299 3S -1.29553 -0.49047 -2.05100 -3.39535 0.05850
|
|
300 4S -0.17917 -0.33227 -2.06344 0.88316 -4.12002
|
|
301 5S 0.42014 0.06210 -0.01838 -0.19557 -0.04160
|
|
302 6PX -0.00258 0.01243 -0.00800 0.00990 -0.01076
|
|
303 6PY 0.00366 0.00038 0.00295 0.00109 0.00150
|
|
304 6PZ -0.00441 -0.00242 0.00464 -0.00747 -0.00809
|
|
305 7PX 0.02381 -0.12564 0.01104 -0.06603 0.04357
|
|
306 7PY 0.00548 -0.01066 0.04745 0.03028 0.00398
|
|
307 7PZ 0.02866 0.03531 -0.04822 0.02440 0.10143
|
|
308 8PX 0.05044 1.25109 0.39564 0.94099 -0.09160
|
|
309 8PY -0.10005 0.17356 -0.51234 -0.11670 -0.18167
|
|
310 8PZ 0.26781 -0.32186 0.91880 0.77193 -0.87192
|
|
311 9PX -0.02981 2.34476 0.09971 0.91719 -0.78490
|
|
312 9PY -1.19978 0.03066 -1.07763 -1.13507 2.11633
|
|
313 9PZ 0.72698 -0.72809 0.97917 -0.44246 -1.00288
|
|
314 10D 0 0.00278 -0.01108 0.00942 0.01171 -0.00451
|
|
315 10D+1 -0.00137 0.01089 0.01598 0.00577 -0.00691
|
|
316 10D-1 -0.00640 -0.00229 -0.01618 -0.00568 0.00149
|
|
317 10D+2 0.00156 0.00244 0.01241 0.00560 0.01979
|
|
318 10D-2 -0.00093 0.00559 -0.00575 -0.00621 -0.00052
|
|
319 11D 0 -0.04758 0.08760 -0.08296 -0.10205 0.04241
|
|
320 11D+1 -0.01952 -0.08292 -0.11844 -0.07836 0.01793
|
|
321 11D-1 0.02810 0.00391 0.08879 0.01730 -0.00217
|
|
322 11D+2 -0.01694 -0.03551 -0.09379 -0.04924 -0.10955
|
|
323 11D-2 0.00745 -0.02784 0.02755 0.02104 -0.00552
|
|
324 12D 0 -0.19060 0.75600 -0.54090 0.00594 0.99653
|
|
325 12D+1 -0.00847 -0.73793 -0.34595 -0.43370 0.10354
|
|
326 12D-1 0.33720 0.05784 0.59030 0.47705 0.44671
|
|
327 12D+2 -0.09506 -0.56223 -0.48521 -0.46210 0.44754
|
|
328 12D-2 0.29527 -0.55926 0.27740 0.13123 -0.10903
|
|
329 13F 0 0.00057 -0.00134 -0.00047 0.00087 0.00320
|
|
330 13F+1 0.00075 0.00057 -0.00264 0.00024 0.00210
|
|
331 13F-1 0.00528 0.00358 0.00446 0.00284 0.00775
|
|
332 13F+2 0.00195 -0.00058 -0.00260 -0.00034 -0.00173
|
|
333 13F-2 0.00308 -0.00481 0.00328 0.00483 0.00297
|
|
334 13F+3 -0.00328 0.00546 0.00051 -0.00271 0.00518
|
|
335 13F-3 0.00063 -0.00396 0.00015 0.00131 0.00520
|
|
336 14F 0 0.05172 -0.16033 0.09296 0.04238 -0.13708
|
|
337 14F+1 0.02391 0.02656 0.10881 0.05661 -0.05070
|
|
338 14F-1 -0.05317 -0.05068 -0.08873 -0.05407 -0.12365
|
|
339 14F+2 0.02593 0.10443 0.17585 0.10971 0.02360
|
|
340 14F-2 -0.06800 0.08584 -0.07506 -0.07214 0.00267
|
|
341 14F+3 0.04581 0.00552 0.08085 0.06075 -0.04216
|
|
342 14F-3 -0.01718 0.07376 0.03547 0.00850 -0.01881
|
|
343 15G 0 -0.00262 0.01053 -0.00450 -0.00341 0.00618
|
|
344 15G+1 -0.00131 0.00412 -0.00424 -0.00085 0.00461
|
|
345 15G-1 -0.00038 0.00348 -0.00012 -0.00094 0.00806
|
|
346 15G+2 -0.00140 -0.00429 -0.00953 -0.00678 -0.00217
|
|
347 15G-2 0.00300 -0.00231 0.00409 0.00534 0.00069
|
|
348 15G+3 -0.00352 -0.00439 -0.00971 -0.00505 0.00208
|
|
349 15G-3 0.00124 -0.00357 -0.00480 -0.00116 -0.00126
|
|
350 15G+4 -0.00086 -0.00061 -0.00192 0.00068 0.00119
|
|
351 15G-4 -0.00022 -0.00387 -0.00528 -0.00114 0.00089
|
|
352 6 H 1S 0.00121 -0.00302 -0.00412 0.00914 0.01363
|
|
353 2S -0.03207 -0.03518 -0.06944 0.03501 0.13074
|
|
354 3S -1.29553 0.49047 2.05100 -3.39535 -0.05850
|
|
355 4S -0.17917 0.33227 2.06344 0.88316 4.12002
|
|
356 5S 0.42014 -0.06210 0.01838 -0.19557 0.04160
|
|
357 6PX -0.00258 -0.01243 0.00800 0.00990 0.01076
|
|
358 6PY 0.00366 -0.00038 -0.00295 0.00109 -0.00150
|
|
359 6PZ 0.00441 -0.00242 0.00464 0.00747 -0.00809
|
|
360 7PX 0.02381 0.12564 -0.01104 -0.06603 -0.04357
|
|
361 7PY 0.00548 0.01066 -0.04745 0.03028 -0.00398
|
|
362 7PZ -0.02866 0.03531 -0.04822 -0.02440 0.10143
|
|
363 8PX 0.05044 -1.25109 -0.39564 0.94099 0.09160
|
|
364 8PY -0.10005 -0.17356 0.51234 -0.11670 0.18167
|
|
365 8PZ -0.26781 -0.32186 0.91880 -0.77193 -0.87192
|
|
366 9PX -0.02981 -2.34476 -0.09971 0.91719 0.78490
|
|
367 9PY -1.19978 -0.03066 1.07763 -1.13507 -2.11633
|
|
368 9PZ -0.72698 -0.72809 0.97917 0.44246 -1.00288
|
|
369 10D 0 0.00278 0.01108 -0.00942 0.01171 0.00451
|
|
370 10D+1 0.00137 0.01089 0.01598 -0.00577 -0.00691
|
|
371 10D-1 0.00640 -0.00229 -0.01618 0.00568 0.00149
|
|
372 10D+2 0.00156 -0.00244 -0.01241 0.00560 -0.01979
|
|
373 10D-2 -0.00093 -0.00559 0.00575 -0.00621 0.00052
|
|
374 11D 0 -0.04758 -0.08760 0.08296 -0.10205 -0.04241
|
|
375 11D+1 0.01952 -0.08292 -0.11844 0.07836 0.01793
|
|
376 11D-1 -0.02810 0.00391 0.08879 -0.01730 -0.00217
|
|
377 11D+2 -0.01694 0.03551 0.09379 -0.04924 0.10955
|
|
378 11D-2 0.00745 0.02784 -0.02755 0.02104 0.00552
|
|
379 12D 0 -0.19060 -0.75600 0.54090 0.00594 -0.99653
|
|
380 12D+1 0.00847 -0.73793 -0.34595 0.43370 0.10354
|
|
381 12D-1 -0.33720 0.05784 0.59030 -0.47705 0.44671
|
|
382 12D+2 -0.09506 0.56223 0.48521 -0.46210 -0.44754
|
|
383 12D-2 0.29527 0.55926 -0.27740 0.13123 0.10903
|
|
384 13F 0 -0.00057 -0.00134 -0.00047 -0.00087 0.00320
|
|
385 13F+1 0.00075 -0.00057 0.00264 0.00024 -0.00210
|
|
386 13F-1 0.00528 -0.00358 -0.00446 0.00284 -0.00775
|
|
387 13F+2 -0.00195 -0.00058 -0.00260 0.00034 -0.00173
|
|
388 13F-2 -0.00308 -0.00481 0.00328 -0.00483 0.00297
|
|
389 13F+3 -0.00328 -0.00546 -0.00051 -0.00271 -0.00518
|
|
390 13F-3 0.00063 0.00396 -0.00015 0.00131 -0.00520
|
|
391 14F 0 -0.05172 -0.16033 0.09296 -0.04238 -0.13708
|
|
392 14F+1 0.02391 -0.02656 -0.10881 0.05661 0.05070
|
|
393 14F-1 -0.05317 0.05068 0.08873 -0.05407 0.12365
|
|
394 14F+2 -0.02593 0.10443 0.17585 -0.10971 0.02360
|
|
395 14F-2 0.06800 0.08584 -0.07506 0.07214 0.00267
|
|
396 14F+3 0.04581 -0.00552 -0.08085 0.06075 0.04216
|
|
397 14F-3 -0.01718 -0.07376 -0.03547 0.00850 0.01881
|
|
398 15G 0 -0.00262 -0.01053 0.00450 -0.00341 -0.00618
|
|
399 15G+1 0.00131 0.00412 -0.00424 0.00085 0.00461
|
|
400 15G-1 0.00038 0.00348 -0.00012 0.00094 0.00806
|
|
401 15G+2 -0.00140 0.00429 0.00953 -0.00678 0.00217
|
|
402 15G-2 0.00300 0.00231 -0.00409 0.00534 -0.00069
|
|
403 15G+3 0.00352 -0.00439 -0.00971 0.00505 0.00208
|
|
404 15G-3 -0.00124 -0.00357 -0.00480 0.00116 -0.00126
|
|
405 15G+4 -0.00086 0.00061 0.00192 0.00068 -0.00119
|
|
406 15G-4 -0.00022 0.00387 0.00528 -0.00114 -0.00089
|
|
76 77 78 79 80
|
|
V V V V V
|
|
Eigenvalues -- 1.57323 1.59309 1.63141 1.64855 1.68902
|
|
1 1 C 1S 0.00140 0.01303 0.02400 0.00000 0.00939
|
|
2 2S 0.01847 -0.05715 -0.04968 0.00000 -0.03018
|
|
3 3S 0.12337 -0.20580 -0.10011 0.00000 -0.00439
|
|
4 4S -0.91922 1.79701 1.54291 0.00000 -1.64281
|
|
5 5S 0.89365 1.26686 -0.79825 0.00000 6.10356
|
|
6 6S -0.75740 -0.13502 3.77399 0.00000 -2.73612
|
|
7 7PX 0.00004 0.01082 0.01222 0.00000 -0.00456
|
|
8 7PY -0.00262 -0.03554 -0.02288 0.00000 -0.01256
|
|
9 7PZ 0.00000 0.00000 0.00000 -0.01925 0.00000
|
|
10 8PX -0.02773 -0.04876 -0.12523 0.00000 -0.02528
|
|
11 8PY 0.00686 0.08062 -0.00056 0.00000 0.05147
|
|
12 8PZ 0.00000 0.00000 0.00000 0.34138 0.00000
|
|
13 9PX -3.31385 -0.86870 1.15595 0.00000 -0.08406
|
|
14 9PY -0.13146 -1.47303 0.71359 0.00000 -0.69210
|
|
15 9PZ 0.00000 0.00000 0.00000 -2.15426 0.00000
|
|
16 10PX 10.05050 2.25880 -1.61991 0.00000 -2.26295
|
|
17 10PY -3.63130 12.76533 -0.29134 0.00000 -2.24971
|
|
18 10PZ 0.00000 0.00000 0.00000 -2.08851 0.00000
|
|
19 11PX 1.16109 0.33220 -0.49400 0.00000 -1.24704
|
|
20 11PY -0.27748 1.39976 -0.52556 0.00000 0.61903
|
|
21 11PZ 0.00000 0.00000 0.00000 0.55021 0.00000
|
|
22 12D 0 -0.00676 -0.00372 -0.00362 0.00000 0.00268
|
|
23 12D+1 0.00000 0.00000 0.00000 -0.00304 0.00000
|
|
24 12D-1 0.00000 0.00000 0.00000 0.01439 0.00000
|
|
25 12D+2 -0.00136 -0.00215 -0.01168 0.00000 -0.00204
|
|
26 12D-2 0.00378 0.00151 -0.00645 0.00000 -0.01148
|
|
27 13D 0 -0.02384 -0.03944 0.03790 0.00000 -0.08739
|
|
28 13D+1 0.00000 0.00000 0.00000 0.14780 0.00000
|
|
29 13D-1 0.00000 0.00000 0.00000 0.02680 0.00000
|
|
30 13D+2 0.08152 -0.01669 0.18039 0.00000 -0.02152
|
|
31 13D-2 -0.01998 -0.02554 0.00563 0.00000 -0.01311
|
|
32 14D 0 -1.84065 -0.62482 0.35339 0.00000 1.66604
|
|
33 14D+1 0.00000 0.00000 0.00000 -3.36296 0.00000
|
|
34 14D-1 0.00000 0.00000 0.00000 -0.94844 0.00000
|
|
35 14D+2 0.51117 -0.04988 -2.72535 0.00000 0.07467
|
|
36 14D-2 -0.51812 0.22541 0.14856 0.00000 0.23291
|
|
37 15D 0 4.88331 5.28452 -1.23740 0.00000 0.66646
|
|
38 15D+1 0.00000 0.00000 0.00000 -3.14331 0.00000
|
|
39 15D-1 0.00000 0.00000 0.00000 -1.47702 0.00000
|
|
40 15D+2 -4.80118 3.53417 -2.85719 0.00000 1.10397
|
|
41 15D-2 -4.44706 -1.47042 0.60625 0.00000 2.11271
|
|
42 16F 0 0.00000 0.00000 0.00000 -0.01078 0.00000
|
|
43 16F+1 -0.00830 0.01586 0.00678 0.00000 -0.01041
|
|
44 16F-1 0.00543 -0.01106 -0.00776 0.00000 -0.01361
|
|
45 16F+2 0.00000 0.00000 0.00000 0.00364 0.00000
|
|
46 16F-2 0.00000 0.00000 0.00000 0.00652 0.00000
|
|
47 16F+3 -0.00178 -0.00185 -0.00103 0.00000 0.01159
|
|
48 16F-3 -0.00476 -0.01332 -0.00220 0.00000 -0.01346
|
|
49 17F 0 0.00000 0.00000 0.00000 0.07108 0.00000
|
|
50 17F+1 0.00848 -0.07733 -0.14150 0.00000 0.17302
|
|
51 17F-1 -0.14568 0.05215 0.19470 0.00000 0.20324
|
|
52 17F+2 0.00000 0.00000 0.00000 -0.07452 0.00000
|
|
53 17F-2 0.00000 0.00000 0.00000 -0.28929 0.00000
|
|
54 17F+3 -0.02133 -0.01793 0.05140 0.00000 -0.11985
|
|
55 17F-3 0.11963 0.08902 0.01756 0.00000 0.00766
|
|
56 18F 0 0.00000 0.00000 0.00000 0.31704 0.00000
|
|
57 18F+1 -0.33402 -0.82790 -2.76729 0.00000 1.26197
|
|
58 18F-1 0.35178 -1.13443 0.56413 0.00000 0.99944
|
|
59 18F+2 0.00000 0.00000 0.00000 0.13757 0.00000
|
|
60 18F-2 0.00000 0.00000 0.00000 -2.90511 0.00000
|
|
61 18F+3 -0.76229 -0.14346 1.04792 0.00000 -0.47774
|
|
62 18F-3 0.63507 -1.86430 -1.01530 0.00000 -1.58326
|
|
63 19G 0 0.00091 0.00766 0.00876 0.00000 0.00245
|
|
64 19G+1 0.00000 0.00000 0.00000 -0.00754 0.00000
|
|
65 19G-1 0.00000 0.00000 0.00000 0.00184 0.00000
|
|
66 19G+2 -0.00120 0.01136 0.00788 0.00000 0.00459
|
|
67 19G-2 -0.00986 0.01538 0.03061 0.00000 0.00305
|
|
68 19G+3 0.00000 0.00000 0.00000 -0.00963 0.00000
|
|
69 19G-3 0.00000 0.00000 0.00000 -0.00609 0.00000
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324 12D 0 0.23492 0.06709 -0.19970 0.71462 0.41521
|
|
325 12D+1 0.26037 0.03182 -0.70588 -0.21669 -0.23096
|
|
326 12D-1 0.41181 -0.03678 0.56558 0.03462 0.08867
|
|
327 12D+2 0.22591 0.02267 -0.50870 -0.25765 -0.00935
|
|
328 12D-2 0.17139 0.02324 0.16799 -0.51464 -0.42323
|
|
329 13F 0 -0.00126 0.00177 0.00061 0.00144 0.00359
|
|
330 13F+1 0.00311 -0.00396 0.00232 -0.00547 0.00053
|
|
331 13F-1 0.00510 0.00336 -0.00163 -0.00456 0.00586
|
|
332 13F+2 0.00194 0.00305 -0.00354 -0.00554 0.00274
|
|
333 13F-2 0.00160 0.00359 0.00291 -0.00768 0.00511
|
|
334 13F+3 -0.00284 0.00156 -0.00445 -0.00481 0.00025
|
|
335 13F-3 0.00160 -0.00011 -0.00415 0.00198 0.00146
|
|
336 14F 0 0.06772 0.01797 0.00822 -0.11135 -0.11225
|
|
337 14F+1 -0.04261 0.03037 0.08286 0.00945 0.00591
|
|
338 14F-1 -0.03890 -0.00122 -0.04600 -0.04238 -0.04679
|
|
339 14F+2 -0.03785 -0.01847 0.14549 0.08340 0.01329
|
|
340 14F-2 -0.07973 -0.03275 -0.02126 0.06003 0.04225
|
|
341 14F+3 0.02867 -0.00030 0.07331 0.03597 -0.01838
|
|
342 14F-3 -0.04747 -0.01539 0.03800 0.01325 0.03386
|
|
343 15G 0 -0.00392 -0.00157 0.00026 0.00409 0.00352
|
|
344 15G+1 -0.00133 -0.00055 -0.00446 0.00220 0.00404
|
|
345 15G-1 -0.00083 -0.00310 0.00326 0.00428 0.00421
|
|
346 15G+2 0.00231 -0.00006 -0.00872 -0.00544 -0.00090
|
|
347 15G-2 0.00342 -0.00139 -0.00191 -0.00334 -0.00117
|
|
348 15G+3 -0.00048 -0.00041 -0.00450 -0.00119 0.00127
|
|
349 15G-3 0.00428 0.00077 -0.00131 -0.00493 -0.00427
|
|
350 15G+4 -0.00088 -0.00114 -0.00217 0.00051 0.00219
|
|
351 15G-4 0.00098 0.00021 0.00002 -0.00098 -0.00104
|
|
352 6 H 1S -0.00911 -0.01249 0.00066 0.00885 0.00456
|
|
353 2S -0.07575 0.00912 0.08174 0.15659 0.09495
|
|
354 3S -0.35839 1.42539 2.08094 -5.33774 -3.17302
|
|
355 4S -0.20250 -7.19463 -1.02757 -1.02064 2.65102
|
|
356 5S 0.17433 0.14130 0.25794 0.47150 0.20963
|
|
357 6PX 0.00888 0.00226 0.00573 0.00051 0.00121
|
|
358 6PY -0.00071 0.01095 -0.00577 -0.00749 0.00541
|
|
359 6PZ 0.01186 0.00482 -0.00675 -0.00815 -0.00272
|
|
360 7PX -0.00850 -0.00245 -0.06603 0.01991 -0.03513
|
|
361 7PY 0.02481 -0.03936 0.05380 0.03631 -0.04498
|
|
362 7PZ -0.06946 -0.02454 0.04692 0.08216 0.00495
|
|
363 8PX -0.18084 -0.20731 0.43265 0.43848 0.77007
|
|
364 8PY -0.33625 -0.04228 -0.65996 0.26939 0.61860
|
|
365 8PZ 0.32694 0.40569 -0.02525 -1.88856 -0.56269
|
|
366 9PX 0.53580 1.53509 1.40266 -1.46029 0.23122
|
|
367 9PY 0.45277 1.00730 -1.62443 -0.75792 -0.36954
|
|
368 9PZ 1.85370 -0.93162 -0.67634 -0.53400 1.23726
|
|
369 10D 0 0.01124 0.00565 0.00060 0.01355 -0.00937
|
|
370 10D+1 0.01307 -0.00181 -0.00292 -0.00233 -0.01006
|
|
371 10D-1 -0.00043 0.00503 -0.00241 -0.00531 -0.01212
|
|
372 10D+2 0.00715 -0.00323 0.01570 -0.00043 0.00228
|
|
373 10D-2 -0.01249 -0.00473 0.00267 0.01970 -0.00581
|
|
374 11D 0 -0.08092 -0.03348 -0.00351 -0.13128 0.03522
|
|
375 11D+1 -0.07098 -0.00707 0.03208 0.06904 0.09536
|
|
376 11D-1 -0.00182 -0.03231 -0.01993 0.08266 0.09119
|
|
377 11D+2 -0.02924 0.01092 -0.08484 -0.00375 -0.02676
|
|
378 11D-2 0.07490 0.03410 -0.00638 -0.10854 -0.01042
|
|
379 12D 0 0.23492 0.06709 -0.19970 -0.71462 0.41521
|
|
380 12D+1 -0.26037 -0.03182 0.70588 -0.21669 0.23096
|
|
381 12D-1 -0.41181 0.03678 -0.56558 0.03462 -0.08867
|
|
382 12D+2 0.22591 0.02267 -0.50870 0.25765 -0.00935
|
|
383 12D-2 0.17139 0.02324 0.16799 0.51464 -0.42323
|
|
384 13F 0 0.00126 -0.00177 -0.00061 0.00144 -0.00359
|
|
385 13F+1 0.00311 -0.00396 0.00232 0.00547 0.00053
|
|
386 13F-1 0.00510 0.00336 -0.00163 0.00456 0.00586
|
|
387 13F+2 -0.00194 -0.00305 0.00354 -0.00554 -0.00274
|
|
388 13F-2 -0.00160 -0.00359 -0.00291 -0.00768 -0.00511
|
|
389 13F+3 -0.00284 0.00156 -0.00445 0.00481 0.00025
|
|
390 13F-3 0.00160 -0.00011 -0.00415 -0.00198 0.00146
|
|
391 14F 0 -0.06772 -0.01797 -0.00822 -0.11135 0.11225
|
|
392 14F+1 -0.04261 0.03037 0.08286 -0.00945 0.00591
|
|
393 14F-1 -0.03890 -0.00122 -0.04600 0.04238 -0.04679
|
|
394 14F+2 0.03785 0.01847 -0.14549 0.08340 -0.01329
|
|
395 14F-2 0.07973 0.03275 0.02126 0.06003 -0.04225
|
|
396 14F+3 0.02867 -0.00030 0.07331 -0.03597 -0.01838
|
|
397 14F-3 -0.04747 -0.01539 0.03800 -0.01325 0.03386
|
|
398 15G 0 -0.00392 -0.00157 0.00026 -0.00409 0.00352
|
|
399 15G+1 0.00133 0.00055 0.00446 0.00220 -0.00404
|
|
400 15G-1 0.00083 0.00310 -0.00326 0.00428 -0.00421
|
|
401 15G+2 0.00231 -0.00006 -0.00872 0.00544 -0.00090
|
|
402 15G-2 0.00342 -0.00139 -0.00191 0.00334 -0.00117
|
|
403 15G+3 0.00048 0.00041 0.00450 -0.00119 -0.00127
|
|
404 15G-3 -0.00428 -0.00077 0.00131 -0.00493 0.00427
|
|
405 15G+4 -0.00088 -0.00114 -0.00217 -0.00051 0.00219
|
|
406 15G-4 0.00098 0.00021 0.00002 0.00098 -0.00104
|
|
81 82 83 84 85
|
|
V V V V V
|
|
Eigenvalues -- 1.69871 1.76113 1.76243 1.81887 1.84798
|
|
1 1 C 1S 0.00000 0.01149 0.00000 -0.01316 0.00000
|
|
2 2S 0.00000 -0.03990 0.00000 0.03582 0.00000
|
|
3 3S 0.00000 -0.10422 0.00000 0.07014 0.00000
|
|
4 4S 0.00000 0.04542 0.00000 -0.54582 0.00000
|
|
5 5S 0.00000 5.09338 0.00000 -0.78693 0.00000
|
|
6 6S 0.00000 2.92895 0.00000 -3.37196 0.00000
|
|
7 7PX 0.00000 -0.04498 0.00000 0.03762 0.00000
|
|
8 7PY 0.00000 -0.00093 0.00000 0.01180 0.00000
|
|
9 7PZ -0.02507 0.00000 -0.00687 0.00000 0.02057
|
|
10 8PX 0.00000 0.34642 0.00000 -0.14812 0.00000
|
|
11 8PY 0.00000 -0.03501 0.00000 -0.22789 0.00000
|
|
12 8PZ 0.06289 0.00000 0.00201 0.00000 -0.34286
|
|
13 9PX 0.00000 -2.47500 0.00000 1.21112 0.00000
|
|
14 9PY 0.00000 0.72576 0.00000 1.29914 0.00000
|
|
15 9PZ -0.92571 0.00000 0.95155 0.00000 4.57873
|
|
16 10PX 0.00000 1.03931 0.00000 10.35255 0.00000
|
|
17 10PY 0.00000 1.52706 0.00000 1.50850 0.00000
|
|
18 10PZ 5.77431 0.00000 7.92318 0.00000 10.54526
|
|
19 11PX 0.00000 0.06133 0.00000 -1.57233 0.00000
|
|
20 11PY 0.00000 0.14893 0.00000 0.17121 0.00000
|
|
21 11PZ 0.91001 0.00000 -0.56591 0.00000 -0.79554
|
|
22 12D 0 0.00000 -0.00385 0.00000 0.00826 0.00000
|
|
23 12D+1 -0.01018 0.00000 0.00275 0.00000 -0.00048
|
|
24 12D-1 0.00662 0.00000 -0.01172 0.00000 -0.01419
|
|
25 12D+2 0.00000 -0.00410 0.00000 -0.00451 0.00000
|
|
26 12D-2 0.00000 0.00050 0.00000 -0.02469 0.00000
|
|
27 13D 0 0.00000 0.11572 0.00000 -0.04906 0.00000
|
|
28 13D+1 0.06677 0.00000 0.00492 0.00000 0.03270
|
|
29 13D-1 0.00470 0.00000 -0.00887 0.00000 -0.02845
|
|
30 13D+2 0.00000 -0.00524 0.00000 0.03909 0.00000
|
|
31 13D-2 0.00000 0.01719 0.00000 0.00669 0.00000
|
|
32 14D 0 0.00000 -2.03056 0.00000 1.22853 0.00000
|
|
33 14D+1 -1.54126 0.00000 0.96897 0.00000 1.71463
|
|
34 14D-1 -0.14930 0.00000 1.33927 0.00000 3.02534
|
|
35 14D+2 0.00000 0.48858 0.00000 -1.13741 0.00000
|
|
36 14D-2 0.00000 -0.28776 0.00000 0.98806 0.00000
|
|
37 15D 0 0.00000 -2.51666 0.00000 2.27746 0.00000
|
|
38 15D+1 1.34202 0.00000 -0.24637 0.00000 2.76228
|
|
39 15D-1 -2.67099 0.00000 -0.07422 0.00000 -0.00888
|
|
40 15D+2 0.00000 1.26587 0.00000 -2.06843 0.00000
|
|
41 15D-2 0.00000 -0.24171 0.00000 -1.16059 0.00000
|
|
42 16F 0 0.01190 0.00000 -0.01047 0.00000 0.00817
|
|
43 16F+1 0.00000 0.00214 0.00000 -0.00036 0.00000
|
|
44 16F-1 0.00000 -0.01098 0.00000 -0.01433 0.00000
|
|
45 16F+2 -0.02268 0.00000 0.00526 0.00000 0.01092
|
|
46 16F-2 0.00242 0.00000 -0.02879 0.00000 -0.04314
|
|
47 16F+3 0.00000 -0.00905 0.00000 -0.01545 0.00000
|
|
48 16F-3 0.00000 -0.00492 0.00000 0.02367 0.00000
|
|
49 17F 0 -0.17164 0.00000 0.03673 0.00000 -0.07905
|
|
50 17F+1 0.00000 -0.00496 0.00000 -0.05844 0.00000
|
|
51 17F-1 0.00000 0.02423 0.00000 0.20123 0.00000
|
|
52 17F+2 0.20172 0.00000 -0.12300 0.00000 -0.12575
|
|
53 17F-2 -0.12468 0.00000 0.27650 0.00000 0.47638
|
|
54 17F+3 0.00000 -0.08079 0.00000 0.07156 0.00000
|
|
55 17F-3 0.00000 0.13617 0.00000 -0.20712 0.00000
|
|
56 18F 0 -1.02939 0.00000 -0.98291 0.00000 -0.90517
|
|
57 18F+1 0.00000 -0.87619 0.00000 -0.37174 0.00000
|
|
58 18F-1 0.00000 -1.43672 0.00000 1.97826 0.00000
|
|
59 18F+2 -0.12402 0.00000 -1.75095 0.00000 -0.91840
|
|
60 18F-2 -0.70500 0.00000 0.50345 0.00000 1.03990
|
|
61 18F+3 0.00000 -1.47087 0.00000 -1.88244 0.00000
|
|
62 18F-3 0.00000 0.63892 0.00000 -0.10110 0.00000
|
|
63 19G 0 0.00000 -0.01206 0.00000 0.00837 0.00000
|
|
64 19G+1 0.00416 0.00000 0.00569 0.00000 -0.00367
|
|
65 19G-1 -0.02090 0.00000 -0.00519 0.00000 0.00610
|
|
66 19G+2 0.00000 0.00107 0.00000 -0.00150 0.00000
|
|
67 19G-2 0.00000 0.00506 0.00000 -0.01453 0.00000
|
|
68 19G+3 -0.00870 0.00000 0.00131 0.00000 0.00768
|
|
69 19G-3 -0.00423 0.00000 -0.01660 0.00000 0.01792
|
|
70 19G+4 0.00000 0.01451 0.00000 -0.01888 0.00000
|
|
71 19G-4 0.00000 -0.02298 0.00000 -0.00563 0.00000
|
|
72 20G 0 0.00000 0.13113 0.00000 -0.20293 0.00000
|
|
73 20G+1 0.02741 0.00000 -0.20137 0.00000 0.15884
|
|
74 20G-1 0.03352 0.00000 0.09356 0.00000 0.16001
|
|
75 20G+2 0.00000 -0.25406 0.00000 -0.11201 0.00000
|
|
76 20G-2 0.00000 -0.00185 0.00000 0.21432 0.00000
|
|
77 20G+3 -0.03174 0.00000 -0.09558 0.00000 -0.36583
|
|
78 20G-3 0.08032 0.00000 0.11046 0.00000 -0.01574
|
|
79 20G+4 0.00000 -0.07056 0.00000 0.07198 0.00000
|
|
80 20G-4 0.00000 0.00148 0.00000 0.11793 0.00000
|
|
81 21H 0 0.01832 0.00000 -0.01765 0.00000 -0.01413
|
|
82 21H+1 0.00000 -0.02479 0.00000 0.00950 0.00000
|
|
83 21H-1 0.00000 -0.00657 0.00000 0.00106 0.00000
|
|
84 21H+2 -0.02433 0.00000 -0.00386 0.00000 -0.02342
|
|
85 21H-2 0.00312 0.00000 0.00131 0.00000 0.03382
|
|
86 21H+3 0.00000 -0.00982 0.00000 -0.03287 0.00000
|
|
87 21H-3 0.00000 -0.01174 0.00000 0.00615 0.00000
|
|
88 21H+4 0.01579 0.00000 -0.01973 0.00000 -0.00410
|
|
89 21H-4 -0.01897 0.00000 0.00371 0.00000 -0.02418
|
|
90 21H+5 0.00000 -0.00211 0.00000 -0.00044 0.00000
|
|
91 21H-5 0.00000 0.00397 0.00000 -0.00731 0.00000
|
|
92 2 S 1S 0.00000 -0.00330 0.00000 0.00633 0.00000
|
|
93 2S 0.00000 0.00517 0.00000 -0.01423 0.00000
|
|
94 3S 0.00000 -0.01707 0.00000 0.01736 0.00000
|
|
95 4S 0.00000 0.04124 0.00000 -0.20767 0.00000
|
|
96 5S 0.00000 -0.56586 0.00000 1.82213 0.00000
|
|
97 6S 0.00000 2.01773 0.00000 -5.21516 0.00000
|
|
98 7S 0.00000 0.27479 0.00000 -1.94802 0.00000
|
|
99 8PX 0.00000 0.00855 0.00000 -0.01764 0.00000
|
|
100 8PY 0.00000 -0.00641 0.00000 0.00803 0.00000
|
|
101 8PZ -0.01686 0.00000 -0.00395 0.00000 -0.00074
|
|
102 9PX 0.00000 -0.01260 0.00000 0.02316 0.00000
|
|
103 9PY 0.00000 0.00213 0.00000 0.01137 0.00000
|
|
104 9PZ 0.01490 0.00000 0.01219 0.00000 -0.01582
|
|
105 10PX 0.00000 0.00860 0.00000 -0.04180 0.00000
|
|
106 10PY 0.00000 -0.06139 0.00000 0.15076 0.00000
|
|
107 10PZ -0.08409 0.00000 0.02457 0.00000 -0.08181
|
|
108 11PX 0.00000 -0.15628 0.00000 1.19090 0.00000
|
|
109 11PY 0.00000 0.48454 0.00000 -0.85849 0.00000
|
|
110 11PZ 0.76484 0.00000 0.35086 0.00000 0.41476
|
|
111 12PX 0.00000 1.15319 0.00000 -9.14399 0.00000
|
|
112 12PY 0.00000 -1.20277 0.00000 1.47734 0.00000
|
|
113 12PZ -2.63753 0.00000 -2.93678 0.00000 -2.00231
|
|
114 13PX 0.00000 0.04100 0.00000 -0.66272 0.00000
|
|
115 13PY 0.00000 -0.12515 0.00000 -0.05883 0.00000
|
|
116 13PZ -0.36484 0.00000 -0.24932 0.00000 0.04845
|
|
117 14D 0 0.00000 -0.12994 0.00000 0.92676 0.00000
|
|
118 14D+1 -0.01198 0.00000 -0.43826 0.00000 -0.24254
|
|
119 14D-1 -2.20798 0.00000 -2.05137 0.00000 -1.60891
|
|
120 14D+2 0.00000 1.29724 0.00000 -2.34342 0.00000
|
|
121 14D-2 0.00000 -0.91246 0.00000 -3.54728 0.00000
|
|
122 15D 0 0.00000 -0.20580 0.00000 0.49402 0.00000
|
|
123 15D+1 -0.03528 0.00000 -0.38006 0.00000 -0.00965
|
|
124 15D-1 0.15146 0.00000 0.00049 0.00000 -0.15223
|
|
125 15D+2 0.00000 -0.08209 0.00000 -0.29128 0.00000
|
|
126 15D-2 0.00000 -0.50053 0.00000 0.30227 0.00000
|
|
127 16D 0 0.00000 -0.00355 0.00000 -0.05889 0.00000
|
|
128 16D+1 -0.02545 0.00000 0.10467 0.00000 -0.00612
|
|
129 16D-1 0.02792 0.00000 -0.02417 0.00000 -0.04160
|
|
130 16D+2 0.00000 0.02884 0.00000 0.04836 0.00000
|
|
131 16D-2 0.00000 0.06899 0.00000 -0.04536 0.00000
|
|
132 17D 0 0.00000 -0.01191 0.00000 0.02419 0.00000
|
|
133 17D+1 -0.00967 0.00000 -0.00875 0.00000 -0.00155
|
|
134 17D-1 0.00972 0.00000 -0.01260 0.00000 -0.02780
|
|
135 17D+2 0.00000 0.00957 0.00000 -0.02695 0.00000
|
|
136 17D-2 0.00000 -0.03189 0.00000 0.00283 0.00000
|
|
137 18F 0 0.52993 0.00000 1.01054 0.00000 0.53768
|
|
138 18F+1 0.00000 -0.06695 0.00000 1.01408 0.00000
|
|
139 18F-1 0.00000 -0.02033 0.00000 -0.07196 0.00000
|
|
140 18F+2 0.94642 0.00000 1.05165 0.00000 0.71075
|
|
141 18F-2 0.06798 0.00000 0.35201 0.00000 -0.41135
|
|
142 18F+3 0.00000 0.77675 0.00000 1.69751 0.00000
|
|
143 18F-3 0.00000 0.65400 0.00000 -0.31639 0.00000
|
|
144 19F 0 0.00308 0.00000 0.26330 0.00000 -0.08905
|
|
145 19F+1 0.00000 0.01532 0.00000 0.06003 0.00000
|
|
146 19F-1 0.00000 0.16130 0.00000 0.03644 0.00000
|
|
147 19F+2 0.05990 0.00000 -0.51115 0.00000 -0.10375
|
|
148 19F-2 0.01958 0.00000 0.13974 0.00000 0.12339
|
|
149 19F+3 0.00000 -0.04795 0.00000 -0.44130 0.00000
|
|
150 19F-3 0.00000 -0.39221 0.00000 0.04780 0.00000
|
|
151 20F 0 -0.01542 0.00000 -0.02839 0.00000 0.00389
|
|
152 20F+1 0.00000 -0.00697 0.00000 -0.00567 0.00000
|
|
153 20F-1 0.00000 -0.03774 0.00000 0.00192 0.00000
|
|
154 20F+2 -0.01160 0.00000 0.06308 0.00000 0.01694
|
|
155 20F-2 -0.00245 0.00000 -0.01980 0.00000 -0.02877
|
|
156 20F+3 0.00000 -0.00121 0.00000 0.04131 0.00000
|
|
157 20F-3 0.00000 0.04301 0.00000 0.00677 0.00000
|
|
158 21G 0 0.00000 -0.11877 0.00000 -0.04027 0.00000
|
|
159 21G+1 -0.01986 0.00000 0.23285 0.00000 -0.07010
|
|
160 21G-1 0.27832 0.00000 0.05764 0.00000 0.16139
|
|
161 21G+2 0.00000 -0.03882 0.00000 0.03366 0.00000
|
|
162 21G-2 0.00000 0.09697 0.00000 0.11892 0.00000
|
|
163 21G+3 0.01773 0.00000 -0.23888 0.00000 -0.11937
|
|
164 21G-3 0.02632 0.00000 0.27030 0.00000 0.01457
|
|
165 21G+4 0.00000 -0.01286 0.00000 0.02959 0.00000
|
|
166 21G-4 0.00000 0.09084 0.00000 0.18209 0.00000
|
|
167 22G 0 0.00000 0.02722 0.00000 -0.01575 0.00000
|
|
168 22G+1 -0.00124 0.00000 0.00756 0.00000 0.01749
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169 22G-1 -0.04175 0.00000 -0.00387 0.00000 -0.02727
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170 22G+2 0.00000 0.00547 0.00000 0.02096 0.00000
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171 22G-2 0.00000 -0.00117 0.00000 -0.02058 0.00000
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172 22G+3 0.00156 0.00000 -0.00073 0.00000 0.01290
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173 22G-3 0.00759 0.00000 -0.02222 0.00000 0.00012
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174 22G+4 0.00000 -0.00114 0.00000 -0.03794 0.00000
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175 22G-4 0.00000 -0.03094 0.00000 -0.00958 0.00000
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176 23H 0 -0.01772 0.00000 -0.04045 0.00000 -0.01136
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177 23H+1 0.00000 0.00055 0.00000 -0.03461 0.00000
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178 23H-1 0.00000 -0.00477 0.00000 0.00678 0.00000
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179 23H+2 -0.02551 0.00000 0.01153 0.00000 -0.00330
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180 23H-2 -0.00007 0.00000 -0.01479 0.00000 0.00238
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181 23H+3 0.00000 -0.01325 0.00000 -0.00318 0.00000
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182 23H-3 0.00000 0.00659 0.00000 -0.00481 0.00000
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183 23H+4 -0.00320 0.00000 -0.04869 0.00000 -0.00376
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184 23H-4 0.01057 0.00000 0.02239 0.00000 -0.00156
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185 23H+5 0.00000 -0.02512 0.00000 -0.04624 0.00000
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186 23H-5 0.00000 -0.01712 0.00000 0.01781 0.00000
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187 3 H 1S 0.00000 -0.00658 0.00000 0.02130 0.00000
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188 2S 0.00000 0.06345 0.00000 -0.19278 0.00000
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189 3S 0.00000 -0.55429 0.00000 1.56395 0.00000
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190 4S 0.00000 -2.72221 0.00000 7.23750 0.00000
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191 5S 0.00000 0.10448 0.00000 0.05485 0.00000
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192 6PX 0.00000 -0.00182 0.00000 -0.00439 0.00000
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193 6PY 0.00000 -0.02005 0.00000 -0.00777 0.00000
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194 6PZ 0.00582 0.00000 -0.02312 0.00000 0.00659
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195 7PX 0.00000 -0.00073 0.00000 0.05049 0.00000
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196 7PY 0.00000 0.07756 0.00000 0.02175 0.00000
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197 7PZ -0.02235 0.00000 0.07211 0.00000 -0.02947
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198 8PX 0.00000 0.04644 0.00000 -0.61224 0.00000
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199 8PY 0.00000 -0.43371 0.00000 -0.15562 0.00000
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200 8PZ 0.09392 0.00000 -0.35581 0.00000 0.12025
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201 9PX 0.00000 1.15351 0.00000 -2.97770 0.00000
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202 9PY 0.00000 -0.07054 0.00000 1.59239 0.00000
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203 9PZ -0.23242 0.00000 1.31236 0.00000 -0.02203
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204 10D 0 0.00000 0.01326 0.00000 -0.01603 0.00000
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205 10D+1 -0.00424 0.00000 -0.00608 0.00000 -0.00402
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206 10D-1 -0.04453 0.00000 -0.01894 0.00000 0.02234
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207 10D+2 0.00000 0.00721 0.00000 -0.02348 0.00000
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208 10D-2 0.00000 -0.00882 0.00000 0.00563 0.00000
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209 11D 0 0.00000 -0.05728 0.00000 0.06277 0.00000
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210 11D+1 0.01656 0.00000 0.04720 0.00000 0.01981
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211 11D-1 0.19867 0.00000 0.08577 0.00000 -0.10634
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212 11D+2 0.00000 -0.03132 0.00000 0.14183 0.00000
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213 11D-2 0.00000 0.05232 0.00000 -0.02204 0.00000
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214 12D 0 0.00000 0.25384 0.00000 -0.60547 0.00000
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215 12D+1 0.00938 0.00000 -0.87107 0.00000 -0.11926
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216 12D-1 -0.69469 0.00000 -0.31260 0.00000 0.43278
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217 12D+2 0.00000 -0.01416 0.00000 -0.15379 0.00000
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218 12D-2 0.00000 -0.36054 0.00000 -0.10394 0.00000
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219 13F 0 -0.00013 0.00000 0.01461 0.00000 0.00318
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220 13F+1 0.00000 -0.00201 0.00000 0.00314 0.00000
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221 13F-1 0.00000 0.00424 0.00000 0.00319 0.00000
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222 13F+2 0.00383 0.00000 -0.01374 0.00000 0.00298
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223 13F-2 0.00313 0.00000 0.00352 0.00000 0.00215
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224 13F+3 0.00000 -0.00453 0.00000 -0.00957 0.00000
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225 13F-3 0.00000 -0.00836 0.00000 0.00209 0.00000
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226 14F 0 0.00348 0.00000 -0.13412 0.00000 -0.02064
|
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227 14F+1 0.00000 0.00369 0.00000 0.01785 0.00000
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228 14F-1 0.00000 -0.03365 0.00000 -0.02667 0.00000
|
|
229 14F+2 -0.02740 0.00000 0.15150 0.00000 -0.00998
|
|
230 14F-2 -0.01481 0.00000 -0.02738 0.00000 -0.01648
|
|
231 14F+3 0.00000 0.04430 0.00000 0.01877 0.00000
|
|
232 14F-3 0.00000 0.08179 0.00000 0.00594 0.00000
|
|
233 15G 0 0.00000 -0.00037 0.00000 0.00001 0.00000
|
|
234 15G+1 -0.00069 0.00000 0.00854 0.00000 0.00049
|
|
235 15G-1 0.00048 0.00000 -0.00086 0.00000 -0.00078
|
|
236 15G+2 0.00000 0.00110 0.00000 -0.00025 0.00000
|
|
237 15G-2 0.00000 0.00327 0.00000 0.00120 0.00000
|
|
238 15G+3 0.00051 0.00000 -0.00805 0.00000 -0.00040
|
|
239 15G-3 -0.00155 0.00000 0.00109 0.00000 0.00098
|
|
240 15G+4 0.00000 -0.00310 0.00000 0.00041 0.00000
|
|
241 15G-4 0.00000 -0.00663 0.00000 -0.00129 0.00000
|
|
242 4 H 1S 0.00000 0.01642 0.00000 0.01848 0.00000
|
|
243 2S 0.00000 0.11988 0.00000 -0.15495 0.00000
|
|
244 3S 0.00000 -3.90652 0.00000 3.31530 0.00000
|
|
245 4S 0.00000 -1.87483 0.00000 8.66065 0.00000
|
|
246 5S 0.00000 -0.08652 0.00000 -1.84184 0.00000
|
|
247 6PX 0.00000 -0.00179 0.00000 -0.00505 0.00000
|
|
248 6PY 0.00000 0.00224 0.00000 0.01185 0.00000
|
|
249 6PZ 0.01183 0.00000 -0.00916 0.00000 -0.01445
|
|
250 7PX 0.00000 0.03112 0.00000 0.00613 0.00000
|
|
251 7PY 0.00000 -0.01918 0.00000 -0.06816 0.00000
|
|
252 7PZ -0.00401 0.00000 0.01669 0.00000 0.06534
|
|
253 8PX 0.00000 -1.56206 0.00000 1.05453 0.00000
|
|
254 8PY 0.00000 0.48666 0.00000 0.25883 0.00000
|
|
255 8PZ -0.20505 0.00000 0.10131 0.00000 -0.48535
|
|
256 9PX 0.00000 -0.02138 0.00000 2.57695 0.00000
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|
257 9PY 0.00000 0.37516 0.00000 -0.54844 0.00000
|
|
258 9PZ -1.20241 0.00000 -0.14751 0.00000 0.61431
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|
259 10D 0 0.00000 0.01528 0.00000 -0.00722 0.00000
|
|
260 10D+1 0.00750 0.00000 -0.00812 0.00000 0.00384
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261 10D-1 0.02114 0.00000 -0.01740 0.00000 0.03269
|
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262 10D+2 0.00000 0.02456 0.00000 -0.00595 0.00000
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263 10D-2 0.00000 -0.02430 0.00000 0.01767 0.00000
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264 11D 0 0.00000 -0.01422 0.00000 -0.00422 0.00000
|
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265 11D+1 -0.05553 0.00000 0.05885 0.00000 -0.04467
|
|
266 11D-1 -0.08817 0.00000 0.07752 0.00000 -0.13714
|
|
267 11D+2 0.00000 -0.18710 0.00000 0.10406 0.00000
|
|
268 11D-2 0.00000 0.14807 0.00000 -0.12507 0.00000
|
|
269 12D 0 0.00000 0.59225 0.00000 -0.51674 0.00000
|
|
270 12D+1 -0.86465 0.00000 0.24811 0.00000 -0.11271
|
|
271 12D-1 0.63350 0.00000 -0.57439 0.00000 0.80562
|
|
272 12D+2 0.00000 0.16919 0.00000 0.30847 0.00000
|
|
273 12D-2 0.00000 -0.15850 0.00000 0.65573 0.00000
|
|
274 13F 0 -0.00884 0.00000 -0.00098 0.00000 -0.00532
|
|
275 13F+1 0.00000 0.00489 0.00000 0.00002 0.00000
|
|
276 13F-1 0.00000 -0.00452 0.00000 0.00194 0.00000
|
|
277 13F+2 0.00536 0.00000 -0.00052 0.00000 -0.00760
|
|
278 13F-2 -0.00003 0.00000 0.00567 0.00000 0.00529
|
|
279 13F+3 0.00000 -0.00588 0.00000 0.00451 0.00000
|
|
280 13F-3 0.00000 0.00255 0.00000 -0.01212 0.00000
|
|
281 14F 0 0.15437 0.00000 -0.05507 0.00000 0.06448
|
|
282 14F+1 0.00000 0.05618 0.00000 -0.05427 0.00000
|
|
283 14F-1 0.00000 0.00253 0.00000 -0.00042 0.00000
|
|
284 14F+2 -0.14117 0.00000 0.04750 0.00000 0.03359
|
|
285 14F-2 0.08300 0.00000 -0.08703 0.00000 0.03548
|
|
286 14F+3 0.00000 0.01261 0.00000 0.02666 0.00000
|
|
287 14F-3 0.00000 0.00032 0.00000 0.06597 0.00000
|
|
288 15G 0 0.00000 -0.00540 0.00000 0.00209 0.00000
|
|
289 15G+1 0.01071 0.00000 -0.00704 0.00000 0.00239
|
|
290 15G-1 -0.00508 0.00000 0.00315 0.00000 -0.00363
|
|
291 15G+2 0.00000 0.00434 0.00000 -0.00058 0.00000
|
|
292 15G-2 0.00000 -0.00166 0.00000 0.00093 0.00000
|
|
293 15G+3 -0.00518 0.00000 0.00055 0.00000 0.00484
|
|
294 15G-3 0.00941 0.00000 -0.00500 0.00000 0.00475
|
|
295 15G+4 0.00000 0.00139 0.00000 0.00193 0.00000
|
|
296 15G-4 0.00000 -0.00517 0.00000 0.00188 0.00000
|
|
297 5 H 1S -0.01548 -0.01262 -0.01648 -0.00669 -0.01590
|
|
298 2S -0.05683 0.02322 0.12434 0.04564 0.23454
|
|
299 3S 1.21702 2.28894 -1.90412 -3.36379 -5.15200
|
|
300 4S -3.68832 -2.76938 -5.42057 -1.37491 -9.03491
|
|
301 5S -0.04288 -0.05549 0.77449 0.95507 1.12162
|
|
302 6PX 0.00099 -0.00388 0.00531 -0.01232 0.00372
|
|
303 6PY 0.00143 -0.00201 -0.00928 -0.00944 -0.00346
|
|
304 6PZ -0.00073 0.00738 0.00049 0.00198 -0.00639
|
|
305 7PX 0.00466 0.02375 -0.03883 0.03409 -0.03675
|
|
306 7PY 0.00560 0.03022 0.07087 0.07354 0.04303
|
|
307 7PZ 0.00980 -0.05443 -0.02929 -0.00662 -0.01901
|
|
308 8PX -0.20582 -0.35986 0.39562 0.32515 1.12181
|
|
309 8PY -0.28864 -0.51916 -0.41000 -0.31654 0.12739
|
|
310 8PZ -0.49313 -0.27668 0.72805 0.80525 1.56304
|
|
311 9PX -0.23141 -0.55589 1.75269 1.33544 1.30905
|
|
312 9PY 1.45068 -0.46538 -0.19360 -0.88516 0.64165
|
|
313 9PZ 0.88220 2.29701 2.12263 0.15246 3.71494
|
|
314 10D 0 -0.00909 -0.00572 0.00236 -0.00402 0.00468
|
|
315 10D+1 0.00568 0.00530 -0.00011 0.00529 -0.00642
|
|
316 10D-1 -0.02378 -0.00880 0.00670 -0.00298 0.01165
|
|
317 10D+2 0.00182 -0.00929 -0.00769 0.00388 0.01787
|
|
318 10D-2 0.01061 -0.00865 -0.01966 0.01075 0.02077
|
|
319 11D 0 0.06676 0.05687 -0.05048 -0.01934 -0.07787
|
|
320 11D+1 -0.00835 -0.01363 -0.01643 -0.06655 -0.06508
|
|
321 11D-1 0.13372 0.06671 -0.04462 -0.00540 -0.09481
|
|
322 11D+2 -0.01808 0.02957 0.02789 -0.02828 -0.10915
|
|
323 11D-2 -0.04206 0.05631 0.08549 -0.05647 -0.13102
|
|
324 12D 0 -0.17895 -0.78299 -0.57153 -0.25318 -0.88962
|
|
325 12D+1 0.22007 0.07137 -0.55501 -0.33300 -1.17052
|
|
326 12D-1 -0.36157 0.30950 0.48760 0.50209 0.45984
|
|
327 12D+2 0.07049 -0.30104 -0.57088 -0.42155 -0.07700
|
|
328 12D-2 0.31571 -0.10332 -0.13365 0.43518 0.49272
|
|
329 13F 0 -0.00276 -0.01049 0.00147 0.00022 -0.00463
|
|
330 13F+1 -0.00357 -0.00044 -0.00110 0.00148 0.00181
|
|
331 13F-1 -0.00102 0.00381 0.00148 0.00664 0.00531
|
|
332 13F+2 0.00454 -0.00259 -0.00518 -0.00175 -0.00292
|
|
333 13F-2 -0.00031 -0.00384 0.00470 0.00114 0.00670
|
|
334 13F+3 -0.00109 0.00599 0.00051 -0.00594 -0.00073
|
|
335 13F-3 0.00350 -0.00059 0.00349 -0.00299 0.00470
|
|
336 14F 0 0.02083 0.13523 0.06515 0.01098 0.09573
|
|
337 14F+1 -0.00020 0.03048 0.06054 0.04719 0.15684
|
|
338 14F-1 0.01184 -0.04881 -0.01004 -0.06665 -0.04431
|
|
339 14F+2 -0.02389 0.07063 0.09582 0.08685 0.11676
|
|
340 14F-2 -0.01366 0.00900 -0.03886 -0.03815 -0.03078
|
|
341 14F+3 0.02073 -0.01708 0.03224 0.07167 0.03261
|
|
342 14F-3 -0.02304 0.01854 -0.00203 0.01924 -0.01982
|
|
343 15G 0 -0.00125 -0.00588 -0.00464 0.00140 -0.00264
|
|
344 15G+1 0.00023 -0.00200 -0.00200 -0.00231 -0.01114
|
|
345 15G-1 -0.00429 -0.00258 -0.00108 0.00094 0.00071
|
|
346 15G+2 0.00290 -0.00511 -0.00432 -0.00548 -0.00936
|
|
347 15G-2 -0.00099 -0.00183 0.00019 0.00286 0.00089
|
|
348 15G+3 -0.00140 -0.00242 -0.00354 -0.00452 -0.00384
|
|
349 15G-3 0.00089 -0.00305 -0.00365 0.00020 0.00115
|
|
350 15G+4 -0.00124 0.00043 -0.00040 -0.00140 -0.00220
|
|
351 15G-4 -0.00109 -0.00029 -0.00187 -0.00118 -0.00021
|
|
352 6 H 1S 0.01548 -0.01262 0.01648 -0.00669 0.01590
|
|
353 2S 0.05683 0.02322 -0.12434 0.04564 -0.23454
|
|
354 3S -1.21702 2.28894 1.90412 -3.36379 5.15200
|
|
355 4S 3.68832 -2.76938 5.42057 -1.37491 9.03491
|
|
356 5S 0.04288 -0.05549 -0.77449 0.95507 -1.12162
|
|
357 6PX -0.00099 -0.00388 -0.00531 -0.01232 -0.00372
|
|
358 6PY -0.00143 -0.00201 0.00928 -0.00944 0.00346
|
|
359 6PZ -0.00073 -0.00738 0.00049 -0.00198 -0.00639
|
|
360 7PX -0.00466 0.02375 0.03883 0.03409 0.03675
|
|
361 7PY -0.00560 0.03022 -0.07087 0.07354 -0.04303
|
|
362 7PZ 0.00980 0.05443 -0.02929 0.00662 -0.01901
|
|
363 8PX 0.20582 -0.35986 -0.39562 0.32515 -1.12181
|
|
364 8PY 0.28864 -0.51916 0.41000 -0.31654 -0.12739
|
|
365 8PZ -0.49313 0.27668 0.72805 -0.80525 1.56304
|
|
366 9PX 0.23141 -0.55589 -1.75269 1.33544 -1.30905
|
|
367 9PY -1.45068 -0.46538 0.19360 -0.88516 -0.64165
|
|
368 9PZ 0.88220 -2.29701 2.12263 -0.15246 3.71494
|
|
369 10D 0 0.00909 -0.00572 -0.00236 -0.00402 -0.00468
|
|
370 10D+1 0.00568 -0.00530 -0.00011 -0.00529 -0.00642
|
|
371 10D-1 -0.02378 0.00880 0.00670 0.00298 0.01165
|
|
372 10D+2 -0.00182 -0.00929 0.00769 0.00388 -0.01787
|
|
373 10D-2 -0.01061 -0.00865 0.01966 0.01075 -0.02077
|
|
374 11D 0 -0.06676 0.05687 0.05048 -0.01934 0.07787
|
|
375 11D+1 -0.00835 0.01363 -0.01643 0.06655 -0.06508
|
|
376 11D-1 0.13372 -0.06671 -0.04462 0.00540 -0.09481
|
|
377 11D+2 0.01808 0.02957 -0.02789 -0.02828 0.10915
|
|
378 11D-2 0.04206 0.05631 -0.08549 -0.05647 0.13102
|
|
379 12D 0 0.17895 -0.78299 0.57153 -0.25318 0.88962
|
|
380 12D+1 0.22007 -0.07137 -0.55501 0.33300 -1.17052
|
|
381 12D-1 -0.36157 -0.30950 0.48760 -0.50209 0.45984
|
|
382 12D+2 -0.07049 -0.30104 0.57088 -0.42155 0.07700
|
|
383 12D-2 -0.31571 -0.10332 0.13365 0.43518 -0.49272
|
|
384 13F 0 -0.00276 0.01049 0.00147 -0.00022 -0.00463
|
|
385 13F+1 0.00357 -0.00044 0.00110 0.00148 -0.00181
|
|
386 13F-1 0.00102 0.00381 -0.00148 0.00664 -0.00531
|
|
387 13F+2 0.00454 0.00259 -0.00518 0.00175 -0.00292
|
|
388 13F-2 -0.00031 0.00384 0.00470 -0.00114 0.00670
|
|
389 13F+3 0.00109 0.00599 -0.00051 -0.00594 0.00073
|
|
390 13F-3 -0.00350 -0.00059 -0.00349 -0.00299 -0.00470
|
|
391 14F 0 0.02083 -0.13523 0.06515 -0.01098 0.09573
|
|
392 14F+1 0.00020 0.03048 -0.06054 0.04719 -0.15684
|
|
393 14F-1 -0.01184 -0.04881 0.01004 -0.06665 0.04431
|
|
394 14F+2 -0.02389 -0.07063 0.09582 -0.08685 0.11676
|
|
395 14F-2 -0.01366 -0.00900 -0.03886 0.03815 -0.03078
|
|
396 14F+3 -0.02073 -0.01708 -0.03224 0.07167 -0.03261
|
|
397 14F-3 0.02304 0.01854 0.00203 0.01924 0.01982
|
|
398 15G 0 0.00125 -0.00588 0.00464 0.00140 0.00264
|
|
399 15G+1 0.00023 0.00200 -0.00200 0.00231 -0.01114
|
|
400 15G-1 -0.00429 0.00258 -0.00108 -0.00094 0.00071
|
|
401 15G+2 -0.00290 -0.00511 0.00432 -0.00548 0.00936
|
|
402 15G-2 0.00099 -0.00183 -0.00019 0.00286 -0.00089
|
|
403 15G+3 -0.00140 0.00242 -0.00354 0.00452 -0.00384
|
|
404 15G-3 0.00089 0.00305 -0.00365 -0.00020 0.00115
|
|
405 15G+4 0.00124 0.00043 0.00040 -0.00140 0.00220
|
|
406 15G-4 0.00109 -0.00029 0.00187 -0.00118 0.00021
|
|
86 87 88 89 90
|
|
V V V V V
|
|
Eigenvalues -- 1.87694 1.88454 1.90499 1.92505 1.93534
|
|
1 1 C 1S 0.00000 -0.00433 0.00259 0.01169 0.00000
|
|
2 2S 0.00000 -0.01161 -0.00491 -0.09669 0.00000
|
|
3 3S 0.00000 -0.10548 0.00064 -0.38118 0.00000
|
|
4 4S 0.00000 0.73740 0.69669 0.47423 0.00000
|
|
5 5S 0.00000 -1.02478 -2.63394 10.02831 0.00000
|
|
6 6S 0.00000 -0.77421 0.98664 6.10075 0.00000
|
|
7 7PX 0.00000 0.02178 -0.00167 -0.02838 0.00000
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268 11D-2 0.00000 0.08709 -0.02660 0.02363 0.00000
|
|
269 12D 0 0.00000 1.04504 -0.78398 -0.08877 0.00000
|
|
270 12D+1 -0.23738 0.00000 0.00000 0.00000 -0.96989
|
|
271 12D-1 -0.22987 0.00000 0.00000 0.00000 0.21607
|
|
272 12D+2 0.00000 -0.29450 2.28984 -0.57098 0.00000
|
|
273 12D-2 0.00000 0.06044 0.99157 0.30369 0.00000
|
|
274 13F 0 0.00042 0.00000 0.00000 0.00000 -0.00358
|
|
275 13F+1 0.00000 -0.00221 -0.00724 0.00306 0.00000
|
|
276 13F-1 0.00000 0.00312 0.00396 -0.00051 0.00000
|
|
277 13F+2 0.00424 0.00000 0.00000 0.00000 0.00795
|
|
278 13F-2 0.00540 0.00000 0.00000 0.00000 0.00242
|
|
279 13F+3 0.00000 0.00262 -0.00423 -0.00355 0.00000
|
|
280 13F-3 0.00000 -0.00355 -0.01311 0.00026 0.00000
|
|
281 14F 0 -0.03236 0.00000 0.00000 0.00000 0.06134
|
|
282 14F+1 0.00000 0.09435 -0.10725 0.02135 0.00000
|
|
283 14F-1 0.00000 -0.03676 -0.06622 -0.02003 0.00000
|
|
284 14F+2 -0.01348 0.00000 0.00000 0.00000 -0.10403
|
|
285 14F-2 -0.06958 0.00000 0.00000 0.00000 -0.00969
|
|
286 14F+3 0.00000 -0.03535 0.38807 -0.02043 0.00000
|
|
287 14F-3 0.00000 0.04009 0.16809 0.08220 0.00000
|
|
288 15G 0 0.00000 -0.00707 0.00325 -0.00041 0.00000
|
|
289 15G+1 -0.00334 0.00000 0.00000 0.00000 0.00548
|
|
290 15G-1 0.00151 0.00000 0.00000 0.00000 -0.00049
|
|
291 15G+2 0.00000 0.00645 -0.00925 0.00084 0.00000
|
|
292 15G-2 0.00000 -0.00231 -0.00523 -0.00300 0.00000
|
|
293 15G+3 -0.00216 0.00000 0.00000 0.00000 -0.00511
|
|
294 15G-3 -0.00208 0.00000 0.00000 0.00000 0.00150
|
|
295 15G+4 0.00000 -0.00221 0.02548 0.00051 0.00000
|
|
296 15G-4 0.00000 -0.00089 0.00420 0.00763 0.00000
|
|
297 5 H 1S -0.00890 0.00311 -0.01306 -0.00470 0.01177
|
|
298 2S -0.04447 -0.03448 0.17950 0.13757 -0.32998
|
|
299 3S 0.42677 0.00950 -2.68283 -1.06747 5.56201
|
|
300 4S -1.24462 0.61227 -8.20927 -5.27942 7.86491
|
|
301 5S 0.58102 0.37503 0.63296 0.03538 -0.42026
|
|
302 6PX -0.00061 0.00233 -0.00512 0.00632 0.00136
|
|
303 6PY -0.00914 -0.00861 -0.00510 -0.00465 -0.00541
|
|
304 6PZ -0.00404 -0.00130 0.00185 0.00712 -0.00305
|
|
305 7PX 0.00838 -0.01428 0.00579 -0.05037 0.02172
|
|
306 7PY 0.05882 0.02180 -0.01152 0.04769 0.05130
|
|
307 7PZ 0.03316 0.02784 -0.02244 -0.08014 0.07248
|
|
308 8PX -0.15561 0.28850 0.34587 0.41398 -0.93581
|
|
309 8PY -0.50016 0.03090 0.54972 -0.28256 -0.92641
|
|
310 8PZ -0.24024 -0.37656 0.86908 0.79300 -1.86379
|
|
311 9PX 0.73871 -0.59955 1.48086 1.43575 -1.06225
|
|
312 9PY -0.29760 -0.11678 2.54360 -1.32056 -2.38565
|
|
313 9PZ -0.09430 -0.10386 2.36255 2.75015 -3.21743
|
|
314 10D 0 0.00540 -0.01502 0.00187 0.00396 -0.00240
|
|
315 10D+1 0.00397 0.01442 -0.00875 -0.00119 -0.00505
|
|
316 10D-1 -0.01252 0.00324 0.01089 0.01322 -0.02335
|
|
317 10D+2 -0.01611 -0.00298 0.00764 -0.00018 -0.01760
|
|
318 10D-2 -0.00660 -0.01118 0.00904 -0.00548 0.01882
|
|
319 11D 0 -0.03991 0.11182 -0.04005 -0.03865 0.06542
|
|
320 11D+1 -0.00967 -0.07999 0.01086 -0.01310 0.09589
|
|
321 11D-1 0.05354 -0.02286 -0.10384 -0.05703 0.16337
|
|
322 11D+2 0.07340 0.00531 -0.03599 0.00123 0.09176
|
|
323 11D-2 0.02948 0.02668 -0.06395 0.03571 -0.06027
|
|
324 12D 0 0.27655 0.31689 0.02007 -0.95601 0.77947
|
|
325 12D+1 0.19115 0.43744 -0.53358 -0.76099 0.76324
|
|
326 12D-1 0.09661 -0.13688 -0.66538 0.62922 0.38998
|
|
327 12D+2 -0.49060 0.01713 0.45894 -0.66413 -0.48571
|
|
328 12D-2 0.11669 -0.61109 -0.32798 0.05556 0.92133
|
|
329 13F 0 0.00480 -0.00101 0.00405 -0.00367 -0.00093
|
|
330 13F+1 -0.00015 0.00258 0.00011 0.00001 -0.00233
|
|
331 13F-1 0.00485 -0.00299 0.00526 -0.00151 -0.00189
|
|
332 13F+2 -0.00224 0.00296 0.00733 -0.00477 -0.00238
|
|
333 13F-2 0.00238 0.00033 -0.00178 -0.00046 -0.00133
|
|
334 13F+3 -0.00288 0.00430 -0.00068 -0.00286 -0.00261
|
|
335 13F-3 0.00447 0.00185 0.00178 -0.00458 -0.00186
|
|
336 14F 0 -0.02971 -0.08995 -0.07485 0.13082 -0.02774
|
|
337 14F+1 -0.04107 -0.09038 0.00622 0.12877 -0.09573
|
|
338 14F-1 -0.02814 0.00721 0.05380 0.00312 -0.06173
|
|
339 14F+2 0.02221 -0.03745 -0.09122 0.13261 0.02079
|
|
340 14F-2 -0.03046 0.07134 0.09049 -0.02032 -0.08376
|
|
341 14F+3 0.04023 -0.06558 -0.03614 0.06417 0.05613
|
|
342 14F-3 -0.01792 0.03497 0.00033 0.03864 -0.00688
|
|
343 15G 0 -0.00021 0.00126 0.00547 -0.00501 0.00007
|
|
344 15G+1 0.00557 0.00887 0.00375 -0.01125 0.00530
|
|
345 15G-1 -0.00046 0.00201 -0.00066 -0.00197 0.00040
|
|
346 15G+2 0.00224 0.00343 0.00341 -0.00908 0.00138
|
|
347 15G-2 0.00040 -0.00181 -0.00362 -0.00075 0.00453
|
|
348 15G+3 -0.00212 0.00586 0.00404 -0.00604 -0.00541
|
|
349 15G-3 -0.00171 -0.00335 -0.00005 -0.00341 0.00203
|
|
350 15G+4 -0.00139 0.00400 0.00046 -0.00087 -0.00243
|
|
351 15G-4 -0.00186 0.00011 0.00020 -0.00183 -0.00164
|
|
352 6 H 1S 0.00890 0.00311 -0.01306 -0.00470 -0.01177
|
|
353 2S 0.04447 -0.03448 0.17950 0.13757 0.32998
|
|
354 3S -0.42677 0.00950 -2.68283 -1.06747 -5.56201
|
|
355 4S 1.24462 0.61227 -8.20927 -5.27942 -7.86491
|
|
356 5S -0.58102 0.37503 0.63296 0.03538 0.42026
|
|
357 6PX 0.00061 0.00233 -0.00512 0.00632 -0.00136
|
|
358 6PY 0.00914 -0.00861 -0.00510 -0.00465 0.00541
|
|
359 6PZ -0.00404 0.00130 -0.00185 -0.00712 -0.00305
|
|
360 7PX -0.00838 -0.01428 0.00579 -0.05037 -0.02172
|
|
361 7PY -0.05882 0.02180 -0.01152 0.04769 -0.05130
|
|
362 7PZ 0.03316 -0.02784 0.02244 0.08014 0.07248
|
|
363 8PX 0.15561 0.28850 0.34587 0.41398 0.93581
|
|
364 8PY 0.50016 0.03090 0.54972 -0.28256 0.92641
|
|
365 8PZ -0.24024 0.37656 -0.86908 -0.79300 -1.86379
|
|
366 9PX -0.73871 -0.59955 1.48086 1.43575 1.06225
|
|
367 9PY 0.29760 -0.11678 2.54360 -1.32056 2.38565
|
|
368 9PZ -0.09430 0.10386 -2.36255 -2.75015 -3.21743
|
|
369 10D 0 -0.00540 -0.01502 0.00187 0.00396 0.00240
|
|
370 10D+1 0.00397 -0.01442 0.00875 0.00119 -0.00505
|
|
371 10D-1 -0.01252 -0.00324 -0.01089 -0.01322 -0.02335
|
|
372 10D+2 0.01611 -0.00298 0.00764 -0.00018 0.01760
|
|
373 10D-2 0.00660 -0.01118 0.00904 -0.00548 -0.01882
|
|
374 11D 0 0.03991 0.11182 -0.04005 -0.03865 -0.06542
|
|
375 11D+1 -0.00967 0.07999 -0.01086 0.01310 0.09589
|
|
376 11D-1 0.05354 0.02286 0.10384 0.05703 0.16337
|
|
377 11D+2 -0.07340 0.00531 -0.03599 0.00123 -0.09176
|
|
378 11D-2 -0.02948 0.02668 -0.06395 0.03571 0.06027
|
|
379 12D 0 -0.27655 0.31689 0.02007 -0.95601 -0.77947
|
|
380 12D+1 0.19115 -0.43744 0.53358 0.76099 0.76324
|
|
381 12D-1 0.09661 0.13688 0.66538 -0.62922 0.38998
|
|
382 12D+2 0.49060 0.01713 0.45894 -0.66413 0.48571
|
|
383 12D-2 -0.11669 -0.61109 -0.32798 0.05556 -0.92133
|
|
384 13F 0 0.00480 0.00101 -0.00405 0.00367 -0.00093
|
|
385 13F+1 0.00015 0.00258 0.00011 0.00001 0.00233
|
|
386 13F-1 -0.00485 -0.00299 0.00526 -0.00151 0.00189
|
|
387 13F+2 -0.00224 -0.00296 -0.00733 0.00477 -0.00238
|
|
388 13F-2 0.00238 -0.00033 0.00178 0.00046 -0.00133
|
|
389 13F+3 0.00288 0.00430 -0.00068 -0.00286 0.00261
|
|
390 13F-3 -0.00447 0.00185 0.00178 -0.00458 0.00186
|
|
391 14F 0 -0.02971 0.08995 0.07485 -0.13082 -0.02774
|
|
392 14F+1 0.04107 -0.09038 0.00622 0.12877 0.09573
|
|
393 14F-1 0.02814 0.00721 0.05380 0.00312 0.06173
|
|
394 14F+2 0.02221 0.03745 0.09122 -0.13261 0.02079
|
|
395 14F-2 -0.03046 -0.07134 -0.09049 0.02032 -0.08376
|
|
396 14F+3 -0.04023 -0.06558 -0.03614 0.06417 -0.05613
|
|
397 14F-3 0.01792 0.03497 0.00033 0.03864 0.00688
|
|
398 15G 0 0.00021 0.00126 0.00547 -0.00501 -0.00007
|
|
399 15G+1 0.00557 -0.00887 -0.00375 0.01125 0.00530
|
|
400 15G-1 -0.00046 -0.00201 0.00066 0.00197 0.00040
|
|
401 15G+2 -0.00224 0.00343 0.00341 -0.00908 -0.00138
|
|
402 15G-2 -0.00040 -0.00181 -0.00362 -0.00075 -0.00453
|
|
403 15G+3 -0.00212 -0.00586 -0.00404 0.00604 -0.00541
|
|
404 15G-3 -0.00171 0.00335 0.00005 0.00341 0.00203
|
|
405 15G+4 0.00139 0.00400 0.00046 -0.00087 0.00243
|
|
406 15G-4 0.00186 0.00011 0.00020 -0.00183 0.00164
|
|
91 92 93 94 95
|
|
V V V V V
|
|
Eigenvalues -- 1.98399 1.98713 2.01411 2.11145 2.11227
|
|
1 1 C 1S -0.00531 0.00000 0.02364 0.03081 0.00000
|
|
2 2S 0.02696 0.00000 -0.16355 -0.17525 0.00000
|
|
3 3S 0.03370 0.00000 -0.46591 -0.48726 0.00000
|
|
4 4S 1.41479 0.00000 -4.41311 -4.52240 0.00000
|
|
5 5S -9.32900 0.00000 39.29490 41.25481 0.00000
|
|
6 6S -2.52740 0.00000 11.02399 15.78724 0.00000
|
|
7 7PX 0.02111 0.00000 0.01582 0.02855 0.00000
|
|
8 7PY -0.00105 0.00000 0.01369 -0.00656 0.00000
|
|
9 7PZ 0.00000 -0.03476 0.00000 0.00000 0.08629
|
|
10 8PX -0.60367 0.00000 -0.06423 -0.22266 0.00000
|
|
11 8PY -0.17619 0.00000 -0.25373 -0.53605 0.00000
|
|
12 8PZ 0.00000 0.60890 0.00000 0.00000 -0.10850
|
|
13 9PX 9.29636 0.00000 0.81237 3.08375 0.00000
|
|
14 9PY 1.26212 0.00000 3.63216 5.98949 0.00000
|
|
15 9PZ 0.00000 -8.83785 0.00000 0.00000 -2.18424
|
|
16 10PX 12.33987 0.00000 1.49694 8.67770 0.00000
|
|
17 10PY -1.71529 0.00000 9.80741 7.52472 0.00000
|
|
18 10PZ 0.00000 -14.26147 0.00000 0.00000 1.87890
|
|
19 11PX -0.84442 0.00000 -0.31616 0.28689 0.00000
|
|
20 11PY 0.24394 0.00000 -0.13595 0.11596 0.00000
|
|
21 11PZ 0.00000 0.35602 0.00000 0.00000 -0.36873
|
|
22 12D 0 -0.02164 0.00000 0.00337 -0.01710 0.00000
|
|
23 12D+1 0.00000 0.01189 0.00000 0.00000 0.02631
|
|
24 12D-1 0.00000 0.00555 0.00000 0.00000 0.01927
|
|
25 12D+2 -0.00081 0.00000 0.00361 -0.01563 0.00000
|
|
26 12D-2 -0.00416 0.00000 0.00259 -0.00994 0.00000
|
|
27 13D 0 -0.02802 0.00000 -0.07868 0.06474 0.00000
|
|
28 13D+1 0.00000 0.11635 0.00000 0.00000 -0.13194
|
|
29 13D-1 0.00000 -0.08931 0.00000 0.00000 -0.15629
|
|
30 13D+2 0.10281 0.00000 -0.01596 0.05994 0.00000
|
|
31 13D-2 0.08582 0.00000 0.04125 0.01259 0.00000
|
|
32 14D 0 5.99019 0.00000 3.65599 2.06670 0.00000
|
|
33 14D+1 0.00000 -7.57207 0.00000 0.00000 -1.37535
|
|
34 14D-1 0.00000 -2.30728 0.00000 0.00000 0.10390
|
|
35 14D+2 -5.70272 0.00000 1.88596 1.16698 0.00000
|
|
36 14D-2 1.75400 0.00000 -0.20588 1.34688 0.00000
|
|
37 15D 0 4.22918 0.00000 4.08137 1.75539 0.00000
|
|
38 15D+1 0.00000 -5.98723 0.00000 0.00000 -0.55225
|
|
39 15D-1 0.00000 0.04444 0.00000 0.00000 -2.82511
|
|
40 15D+2 -3.99848 0.00000 1.43050 0.14634 0.00000
|
|
41 15D-2 0.86402 0.00000 -2.16339 1.89672 0.00000
|
|
42 16F 0 0.00000 0.02493 0.00000 0.00000 0.00126
|
|
43 16F+1 0.02925 0.00000 -0.06441 -0.04421 0.00000
|
|
44 16F-1 -0.03952 0.00000 -0.03343 -0.02783 0.00000
|
|
45 16F+2 0.00000 0.02519 0.00000 0.00000 -0.00113
|
|
46 16F-2 0.00000 0.05921 0.00000 0.00000 0.00630
|
|
47 16F+3 -0.04252 0.00000 -0.00244 0.00644 0.00000
|
|
48 16F-3 0.03349 0.00000 -0.02327 -0.01380 0.00000
|
|
49 17F 0 0.00000 -0.31654 0.00000 0.00000 -0.03268
|
|
50 17F+1 -0.27852 0.00000 0.93777 0.79776 0.00000
|
|
51 17F-1 0.57872 0.00000 0.47030 0.50633 0.00000
|
|
52 17F+2 0.00000 -0.30439 0.00000 0.00000 0.00428
|
|
53 17F-2 0.00000 -0.75896 0.00000 0.00000 -0.16938
|
|
54 17F+3 0.55803 0.00000 -0.07177 -0.17414 0.00000
|
|
55 17F-3 -0.44385 0.00000 0.34846 0.30723 0.00000
|
|
56 18F 0 0.00000 -0.92357 0.00000 0.00000 0.12091
|
|
57 18F+1 -0.76954 0.00000 2.59768 1.91860 0.00000
|
|
58 18F-1 1.94439 0.00000 0.96101 1.23896 0.00000
|
|
59 18F+2 0.00000 -1.18184 0.00000 0.00000 -0.01553
|
|
60 18F-2 0.00000 -1.95328 0.00000 0.00000 0.87575
|
|
61 18F+3 2.13305 0.00000 0.21007 -1.13868 0.00000
|
|
62 18F-3 -0.62116 0.00000 0.09591 1.39135 0.00000
|
|
63 19G 0 -0.01342 0.00000 0.01644 -0.01566 0.00000
|
|
64 19G+1 0.00000 -0.01395 0.00000 0.00000 -0.00600
|
|
65 19G-1 0.00000 -0.00635 0.00000 0.00000 -0.01341
|
|
66 19G+2 0.00063 0.00000 0.00634 -0.00739 0.00000
|
|
67 19G-2 0.00539 0.00000 0.02124 0.02723 0.00000
|
|
68 19G+3 0.00000 -0.00027 0.00000 0.00000 0.01611
|
|
69 19G-3 0.00000 -0.00724 0.00000 0.00000 -0.00703
|
|
70 19G+4 -0.01678 0.00000 0.00645 -0.00578 0.00000
|
|
71 19G-4 0.01338 0.00000 -0.00255 -0.01536 0.00000
|
|
72 20G 0 0.07329 0.00000 0.01216 -0.04163 0.00000
|
|
73 20G+1 0.00000 -0.20426 0.00000 0.00000 0.21946
|
|
74 20G-1 0.00000 -0.22066 0.00000 0.00000 0.16553
|
|
75 20G+2 0.09382 0.00000 0.04544 0.03147 0.00000
|
|
76 20G-2 0.04948 0.00000 0.41047 0.49959 0.00000
|
|
77 20G+3 0.00000 -0.22000 0.00000 0.00000 -0.28362
|
|
78 20G-3 0.00000 -0.22080 0.00000 0.00000 0.06933
|
|
79 20G+4 -0.32354 0.00000 -0.05537 -0.05140 0.00000
|
|
80 20G-4 0.14457 0.00000 -0.16855 -0.01887 0.00000
|
|
81 21H 0 0.00000 0.04837 0.00000 0.00000 -0.00072
|
|
82 21H+1 0.06444 0.00000 0.03462 -0.00223 0.00000
|
|
83 21H-1 0.03966 0.00000 0.03208 0.00595 0.00000
|
|
84 21H+2 0.00000 -0.08057 0.00000 0.00000 -0.01979
|
|
85 21H-2 0.00000 -0.03098 0.00000 0.00000 0.04011
|
|
86 21H+3 -0.04981 0.00000 -0.00042 -0.01770 0.00000
|
|
87 21H-3 -0.01064 0.00000 0.01781 0.01674 0.00000
|
|
88 21H+4 0.00000 0.01423 0.00000 0.00000 0.00050
|
|
89 21H-4 0.00000 -0.05196 0.00000 0.00000 -0.01806
|
|
90 21H+5 0.04746 0.00000 0.00849 0.00519 0.00000
|
|
91 21H-5 -0.03353 0.00000 0.02205 0.00231 0.00000
|
|
92 2 S 1S 0.00325 0.00000 -0.00610 -0.01375 0.00000
|
|
93 2S -0.01112 0.00000 0.01138 0.06136 0.00000
|
|
94 3S -0.00045 0.00000 -0.02579 0.04176 0.00000
|
|
95 4S -0.15113 0.00000 0.13201 0.89067 0.00000
|
|
96 5S 0.94446 0.00000 -1.35500 -3.01321 0.00000
|
|
97 6S -2.30108 0.00000 4.49549 2.56068 0.00000
|
|
98 7S -1.55402 0.00000 0.55209 -0.69675 0.00000
|
|
99 8PX -0.01334 0.00000 -0.01368 -0.00455 0.00000
|
|
100 8PY 0.00593 0.00000 -0.00236 0.00683 0.00000
|
|
101 8PZ 0.00000 0.01734 0.00000 0.00000 -0.01076
|
|
102 9PX 0.02986 0.00000 0.00968 0.00846 0.00000
|
|
103 9PY 0.00434 0.00000 0.00133 -0.01764 0.00000
|
|
104 9PZ 0.00000 -0.04032 0.00000 0.00000 0.01425
|
|
105 10PX 0.03369 0.00000 -0.12693 0.02676 0.00000
|
|
106 10PY 0.07865 0.00000 -0.00008 -0.01585 0.00000
|
|
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359 6PZ 0.00079 0.00803 0.00378 -0.00657 -0.01990
|
|
360 7PX -0.08734 0.03201 -0.04141 -0.02751 -0.05798
|
|
361 7PY -0.04521 -0.08287 -0.03360 -0.05626 -0.08886
|
|
362 7PZ 0.01455 0.04511 0.01567 0.12042 0.16212
|
|
363 8PX 1.38091 1.14227 1.50978 1.43604 0.01531
|
|
364 8PY 0.77713 1.94697 1.32783 1.33375 0.50914
|
|
365 8PZ -1.10949 -3.12293 -2.42332 -3.08453 -0.60951
|
|
366 9PX 3.55749 0.93086 3.77861 2.41679 1.00444
|
|
367 9PY 0.88514 4.29809 3.53225 1.72622 0.06607
|
|
368 9PZ -0.79981 -5.57298 -3.31934 -6.58682 -2.63000
|
|
369 10D 0 0.00395 0.01399 0.01548 0.00619 -0.00093
|
|
370 10D+1 -0.01684 -0.02061 -0.00560 -0.01622 0.01564
|
|
371 10D-1 0.00344 -0.00694 -0.00645 -0.01865 0.00619
|
|
372 10D+2 -0.01130 -0.00923 0.00403 0.01083 0.00209
|
|
373 10D-2 -0.00035 0.00439 0.02320 -0.00630 0.02536
|
|
374 11D 0 -0.03853 -0.18648 -0.18757 -0.13331 0.02029
|
|
375 11D+1 0.14847 0.22380 0.15841 0.20990 -0.11909
|
|
376 11D-1 0.01749 0.18167 0.14314 0.19878 -0.03607
|
|
377 11D+2 0.04222 0.04620 -0.03042 -0.06379 0.00949
|
|
378 11D-2 -0.04221 -0.08460 -0.17902 -0.02472 -0.11119
|
|
379 12D 0 0.61930 -1.06772 0.39856 -1.43087 -0.82879
|
|
380 12D+1 1.29203 0.01178 1.09258 0.87820 0.85446
|
|
381 12D-1 0.39079 1.82773 1.18716 0.42083 0.99643
|
|
382 12D+2 -1.13757 0.63195 0.17567 0.08517 0.12265
|
|
383 12D-2 -0.74227 -0.60461 -0.25937 -0.57218 0.34471
|
|
384 13F 0 -0.00510 -0.00011 -0.01171 0.00409 -0.00034
|
|
385 13F+1 0.00134 0.00933 0.00992 0.00960 -0.00397
|
|
386 13F-1 0.00060 0.00678 0.00642 0.01171 -0.00451
|
|
387 13F+2 0.00529 -0.00595 -0.00122 -0.00097 0.00349
|
|
388 13F-2 -0.00191 -0.00570 -0.00810 -0.01124 -0.00085
|
|
389 13F+3 -0.00373 0.00214 0.00228 -0.00389 -0.00161
|
|
390 13F-3 -0.00211 0.00179 0.00457 -0.00160 -0.00158
|
|
391 14F 0 0.17510 -0.07226 0.15001 -0.12405 -0.04395
|
|
392 14F+1 0.09264 0.01583 0.06991 0.13332 0.06405
|
|
393 14F-1 -0.03648 0.20112 0.09967 0.06704 0.12675
|
|
394 14F+2 -0.17868 0.17713 0.01363 -0.03112 0.01396
|
|
395 14F-2 -0.11915 -0.10125 -0.12247 -0.05337 -0.02867
|
|
396 14F+3 0.03472 -0.08337 -0.05394 0.00646 -0.00214
|
|
397 14F-3 0.10267 -0.01697 0.01585 0.04259 0.00348
|
|
398 15G 0 0.01008 -0.00124 0.01065 -0.00216 -0.00026
|
|
399 15G+1 -0.00192 0.00128 -0.00054 0.00947 0.00468
|
|
400 15G-1 -0.00673 0.00921 0.00183 0.00537 0.00740
|
|
401 15G+2 -0.01121 0.01218 0.00205 -0.00290 0.00115
|
|
402 15G-2 -0.00535 -0.00634 -0.00860 -0.00720 -0.00509
|
|
403 15G+3 0.00320 -0.00775 -0.00418 -0.00098 -0.00068
|
|
404 15G-3 0.00938 -0.00219 0.00295 0.00323 0.00024
|
|
405 15G+4 0.00200 0.00099 0.00225 0.00192 0.00148
|
|
406 15G-4 -0.00408 0.00249 0.00055 -0.00089 0.00081
|
|
96 97 98 99 100
|
|
V V V V V
|
|
Eigenvalues -- 2.11623 2.14380 2.14771 2.21381 2.23879
|
|
1 1 C 1S -0.01120 0.01648 0.00000 -0.01129 0.01700
|
|
2 2S 0.04712 -0.09185 0.00000 0.06393 -0.08705
|
|
3 3S 0.13785 -0.33646 0.00000 0.19888 -0.32437
|
|
4 4S 0.59530 -0.01238 0.00000 0.76904 1.09874
|
|
5 5S -10.89672 15.52631 0.00000 -9.91654 9.67206
|
|
6 6S -5.38751 8.61930 0.00000 -5.71950 8.83466
|
|
7 7PX 0.10168 0.07987 0.00000 0.07063 -0.03874
|
|
8 7PY 0.04975 -0.05469 0.00000 -0.00477 -0.04980
|
|
9 7PZ 0.00000 0.00000 0.12977 0.00000 0.00000
|
|
10 8PX -0.55075 -0.25865 0.00000 -0.80135 -0.11384
|
|
11 8PY -0.05778 -0.09062 0.00000 0.11992 0.11319
|
|
12 8PZ 0.00000 0.00000 -0.94666 0.00000 0.00000
|
|
13 9PX 4.64376 0.65353 0.00000 9.86090 2.32344
|
|
14 9PY 0.14286 1.44318 0.00000 -1.63276 0.06506
|
|
15 9PZ 0.00000 0.00000 10.19996 0.00000 0.00000
|
|
16 10PX 11.30019 4.24641 0.00000 14.44472 -1.26352
|
|
17 10PY 2.56262 -2.76663 0.00000 0.40059 -2.33881
|
|
18 10PZ 0.00000 0.00000 18.09219 0.00000 0.00000
|
|
19 11PX -0.09500 -0.03415 0.00000 0.12605 0.72076
|
|
20 11PY 0.21514 0.02609 0.00000 0.09872 -0.47587
|
|
21 11PZ 0.00000 0.00000 -0.07342 0.00000 0.00000
|
|
22 12D 0 0.01291 -0.00127 0.00000 -0.01070 -0.02252
|
|
23 12D+1 0.00000 0.00000 -0.00875 0.00000 0.00000
|
|
24 12D-1 0.00000 0.00000 0.00352 0.00000 0.00000
|
|
25 12D+2 0.00855 -0.03314 0.00000 0.02027 -0.00315
|
|
26 12D-2 0.00893 0.01283 0.00000 -0.00709 -0.01367
|
|
27 13D 0 -0.10903 0.06117 0.00000 0.08683 0.10863
|
|
28 13D+1 0.00000 0.00000 0.02200 0.00000 0.00000
|
|
29 13D-1 0.00000 0.00000 -0.12020 0.00000 0.00000
|
|
30 13D+2 -0.03399 0.19877 0.00000 -0.04299 0.01266
|
|
31 13D-2 -0.13227 -0.15417 0.00000 -0.00218 0.09315
|
|
32 14D 0 0.94137 -1.54068 0.00000 1.15054 1.40188
|
|
33 14D+1 0.00000 0.00000 1.96725 0.00000 0.00000
|
|
34 14D-1 0.00000 0.00000 4.77964 0.00000 0.00000
|
|
35 14D+2 -0.78765 0.20690 0.00000 -2.80712 0.34246
|
|
36 14D-2 2.60484 1.96828 0.00000 2.94220 0.22960
|
|
37 15D 0 0.96878 -1.18892 0.00000 2.06635 0.01564
|
|
38 15D+1 0.00000 0.00000 1.45312 0.00000 0.00000
|
|
39 15D-1 0.00000 0.00000 8.00421 0.00000 0.00000
|
|
40 15D+2 -0.91672 0.25618 0.00000 -1.63720 0.03517
|
|
41 15D-2 2.80995 1.38502 0.00000 5.60394 1.38001
|
|
42 16F 0 0.00000 0.00000 -0.00300 0.00000 0.00000
|
|
43 16F+1 -0.00264 0.01247 0.00000 0.01860 -0.00716
|
|
44 16F-1 -0.00028 -0.00726 0.00000 -0.01992 0.01268
|
|
45 16F+2 0.00000 0.00000 0.00197 0.00000 0.00000
|
|
46 16F-2 0.00000 0.00000 -0.01700 0.00000 0.00000
|
|
47 16F+3 -0.00675 0.01126 0.00000 -0.01639 -0.00509
|
|
48 16F-3 0.01193 -0.00687 0.00000 -0.01815 0.01701
|
|
49 17F 0 0.00000 0.00000 0.10353 0.00000 0.00000
|
|
50 17F+1 -0.09500 0.11855 0.00000 -0.25714 0.22474
|
|
51 17F-1 0.01785 0.10900 0.00000 0.21856 0.05921
|
|
52 17F+2 0.00000 0.00000 0.05437 0.00000 0.00000
|
|
53 17F-2 0.00000 0.00000 0.34149 0.00000 0.00000
|
|
54 17F+3 0.14909 -0.19404 0.00000 0.32810 0.03955
|
|
55 17F-3 -0.17186 0.16279 0.00000 -0.06457 -0.11265
|
|
56 18F 0 0.00000 0.00000 0.84354 0.00000 0.00000
|
|
57 18F+1 0.14226 -0.39132 0.00000 -0.19846 -0.72592
|
|
58 18F-1 0.68345 0.36302 0.00000 -0.81324 -0.30511
|
|
59 18F+2 0.00000 0.00000 0.82094 0.00000 0.00000
|
|
60 18F-2 0.00000 0.00000 0.60832 0.00000 0.00000
|
|
61 18F+3 0.47344 0.26137 0.00000 1.21433 -0.04200
|
|
62 18F-3 -0.36001 0.01101 0.00000 -1.03296 0.23817
|
|
63 19G 0 -0.01355 -0.00262 0.00000 -0.01518 -0.00924
|
|
64 19G+1 0.00000 0.00000 0.01794 0.00000 0.00000
|
|
65 19G-1 0.00000 0.00000 0.00853 0.00000 0.00000
|
|
66 19G+2 0.00580 -0.00685 0.00000 0.01872 0.00461
|
|
67 19G-2 -0.01487 0.01677 0.00000 0.00795 0.01372
|
|
68 19G+3 0.00000 0.00000 -0.02854 0.00000 0.00000
|
|
69 19G-3 0.00000 0.00000 0.00224 0.00000 0.00000
|
|
70 19G+4 0.00122 -0.00160 0.00000 0.00702 -0.00943
|
|
71 19G-4 0.00224 -0.01260 0.00000 0.01983 0.00284
|
|
72 20G 0 -0.28080 -0.39574 0.00000 -0.34840 0.18304
|
|
73 20G+1 0.00000 0.00000 0.56298 0.00000 0.00000
|
|
74 20G-1 0.00000 0.00000 0.42969 0.00000 0.00000
|
|
75 20G+2 0.24366 0.13856 0.00000 0.29685 0.08341
|
|
76 20G-2 0.20136 0.08930 0.00000 0.05641 -0.16838
|
|
77 20G+3 0.00000 0.00000 -0.12125 0.00000 0.00000
|
|
78 20G-3 0.00000 0.00000 0.28551 0.00000 0.00000
|
|
79 20G+4 -0.14479 0.01175 0.00000 -0.33177 0.15291
|
|
80 20G-4 0.29492 0.21587 0.00000 0.25230 0.06877
|
|
81 21H 0 0.00000 0.00000 -0.01064 0.00000 0.00000
|
|
82 21H+1 0.00619 -0.03193 0.00000 -0.00784 0.01108
|
|
83 21H-1 -0.01567 -0.04243 0.00000 -0.02558 0.01193
|
|
84 21H+2 0.00000 0.00000 -0.02386 0.00000 0.00000
|
|
85 21H-2 0.00000 0.00000 0.08533 0.00000 0.00000
|
|
86 21H+3 -0.01558 -0.02353 0.00000 -0.01890 0.02278
|
|
87 21H-3 0.05150 0.04499 0.00000 0.04526 -0.01031
|
|
88 21H+4 0.00000 0.00000 -0.00585 0.00000 0.00000
|
|
89 21H-4 0.00000 0.00000 -0.01470 0.00000 0.00000
|
|
90 21H+5 -0.00454 -0.01368 0.00000 0.00589 -0.00420
|
|
91 21H-5 -0.03180 -0.02692 0.00000 -0.02527 -0.00075
|
|
92 2 S 1S -0.02261 0.01738 0.00000 0.01436 0.00257
|
|
93 2S 0.03975 -0.05230 0.00000 -0.03321 -0.04686
|
|
94 3S -0.11693 0.02065 0.00000 0.05549 -0.11925
|
|
95 4S 0.24044 -0.64292 0.00000 -0.21205 -0.95555
|
|
96 5S -3.28832 3.11809 0.00000 0.92975 2.71132
|
|
97 6S 9.77636 -4.38924 0.00000 -1.32080 -0.07403
|
|
98 7S 6.30087 -4.59860 0.00000 -1.17501 -1.22685
|
|
99 8PX -0.01241 0.00369 0.00000 0.00212 0.02118
|
|
100 8PY 0.02569 -0.03033 0.00000 -0.02964 -0.01263
|
|
101 8PZ 0.00000 0.00000 0.00679 0.00000 0.00000
|
|
102 9PX -0.04857 0.01307 0.00000 0.02449 -0.07069
|
|
103 9PY -0.02310 0.04603 0.00000 0.02870 0.04461
|
|
104 9PZ 0.00000 0.00000 -0.00079 0.00000 0.00000
|
|
105 10PX -0.55977 0.15159 0.00000 0.24201 -0.29478
|
|
106 10PY 0.17868 -0.09591 0.00000 -0.18684 0.12182
|
|
107 10PZ 0.00000 0.00000 0.06775 0.00000 0.00000
|
|
108 11PX 2.75770 -0.64555 0.00000 -1.56334 1.47127
|
|
109 11PY -1.60120 1.55411 0.00000 1.66851 -0.24639
|
|
110 11PZ 0.00000 0.00000 -0.51419 0.00000 0.00000
|
|
111 12PX 4.80247 -0.14193 0.00000 1.34287 1.85245
|
|
112 12PY 3.27042 -5.96153 0.00000 -1.22318 -0.83155
|
|
113 12PZ 0.00000 0.00000 2.12542 0.00000 0.00000
|
|
114 13PX 0.53462 -0.24168 0.00000 -0.15250 0.46524
|
|
115 13PY 0.69422 -0.78989 0.00000 -0.17392 -0.51941
|
|
116 13PZ 0.00000 0.00000 0.09179 0.00000 0.00000
|
|
117 14D 0 -1.99158 1.48501 0.00000 0.55861 0.43848
|
|
118 14D+1 0.00000 0.00000 -0.27416 0.00000 0.00000
|
|
119 14D-1 0.00000 0.00000 1.94792 0.00000 0.00000
|
|
120 14D+2 -0.77820 2.50214 0.00000 1.64011 0.57495
|
|
121 14D-2 -0.80085 -0.16420 0.00000 1.68865 2.39734
|
|
122 15D 0 -0.62069 0.16247 0.00000 -0.10939 -0.22890
|
|
123 15D+1 0.00000 0.00000 -0.10292 0.00000 0.00000
|
|
124 15D-1 0.00000 0.00000 0.11145 0.00000 0.00000
|
|
125 15D+2 1.34324 -0.47259 0.00000 -0.95542 0.65233
|
|
126 15D-2 -0.25260 0.07021 0.00000 0.02534 -0.10776
|
|
127 16D 0 0.06465 -0.03513 0.00000 0.00786 0.00489
|
|
128 16D+1 0.00000 0.00000 -0.01843 0.00000 0.00000
|
|
129 16D-1 0.00000 0.00000 0.03245 0.00000 0.00000
|
|
130 16D+2 -0.12064 0.03585 0.00000 0.08832 -0.07649
|
|
131 16D-2 0.04546 -0.02123 0.00000 0.07707 0.00926
|
|
132 17D 0 0.00758 0.00434 0.00000 -0.01922 0.01986
|
|
133 17D+1 0.00000 0.00000 -0.01064 0.00000 0.00000
|
|
134 17D-1 0.00000 0.00000 0.02423 0.00000 0.00000
|
|
135 17D+2 -0.01941 0.00101 0.00000 0.00456 -0.02880
|
|
136 17D-2 0.00973 -0.00377 0.00000 0.01167 0.01141
|
|
137 18F 0 0.00000 0.00000 -0.55860 0.00000 0.00000
|
|
138 18F+1 -0.11875 -0.16555 0.00000 -0.42485 0.55531
|
|
139 18F-1 -0.48909 0.89407 0.00000 0.10607 -0.30444
|
|
140 18F+2 0.00000 0.00000 -1.07660 0.00000 0.00000
|
|
141 18F-2 0.00000 0.00000 -0.07621 0.00000 0.00000
|
|
142 18F+3 -0.34615 -0.13983 0.00000 -0.15497 -0.82379
|
|
143 18F-3 -0.94825 0.71470 0.00000 1.02287 1.41952
|
|
144 19F 0 0.00000 0.00000 0.21503 0.00000 0.00000
|
|
145 19F+1 -0.38001 0.22640 0.00000 0.24619 -0.30532
|
|
146 19F-1 0.24165 -0.25383 0.00000 0.15762 0.01832
|
|
147 19F+2 0.00000 0.00000 0.32423 0.00000 0.00000
|
|
148 19F-2 0.00000 0.00000 0.26483 0.00000 0.00000
|
|
149 19F+3 0.73046 0.01612 0.00000 -0.14172 0.33985
|
|
150 19F-3 -0.22556 0.00632 0.00000 -0.42039 -0.29637
|
|
151 20F 0 0.00000 0.00000 -0.01982 0.00000 0.00000
|
|
152 20F+1 -0.03715 -0.01115 0.00000 0.00996 -0.01692
|
|
153 20F-1 -0.01632 0.01285 0.00000 -0.04532 0.01594
|
|
154 20F+2 0.00000 0.00000 -0.02700 0.00000 0.00000
|
|
155 20F-2 0.00000 0.00000 -0.04196 0.00000 0.00000
|
|
156 20F+3 0.01409 -0.01481 0.00000 -0.02349 0.00392
|
|
157 20F-3 0.00784 0.00054 0.00000 0.05607 0.00568
|
|
158 21G 0 -0.04730 -0.04128 0.00000 0.01612 0.04453
|
|
159 21G+1 0.00000 0.00000 -0.11829 0.00000 0.00000
|
|
160 21G-1 0.00000 0.00000 0.04243 0.00000 0.00000
|
|
161 21G+2 -0.01668 -0.08185 0.00000 -0.06789 0.09507
|
|
162 21G-2 0.04542 0.14297 0.00000 0.29877 -0.17455
|
|
163 21G+3 0.00000 0.00000 -0.20047 0.00000 0.00000
|
|
164 21G-3 0.00000 0.00000 -0.04386 0.00000 0.00000
|
|
165 21G+4 0.11434 -0.11605 0.00000 0.01490 -0.02783
|
|
166 21G-4 -0.06004 -0.03196 0.00000 -0.18268 0.31748
|
|
167 22G 0 0.04166 -0.00931 0.00000 -0.00962 -0.00452
|
|
168 22G+1 0.00000 0.00000 0.02262 0.00000 0.00000
|
|
169 22G-1 0.00000 0.00000 -0.00376 0.00000 0.00000
|
|
170 22G+2 -0.04566 0.02922 0.00000 0.02376 -0.02823
|
|
171 22G-2 0.00953 -0.02733 0.00000 -0.04202 0.01813
|
|
172 22G+3 0.00000 0.00000 0.02191 0.00000 0.00000
|
|
173 22G-3 0.00000 0.00000 0.01139 0.00000 0.00000
|
|
174 22G+4 0.04759 -0.01107 0.00000 -0.01850 0.02591
|
|
175 22G-4 -0.01899 0.01862 0.00000 0.01212 -0.02516
|
|
176 23H 0 0.00000 0.00000 0.00167 0.00000 0.00000
|
|
177 23H+1 0.01036 -0.00545 0.00000 0.00696 -0.01635
|
|
178 23H-1 0.00580 -0.01723 0.00000 -0.01540 0.00727
|
|
179 23H+2 0.00000 0.00000 0.00951 0.00000 0.00000
|
|
180 23H-2 0.00000 0.00000 -0.00318 0.00000 0.00000
|
|
181 23H+3 -0.01196 0.00180 0.00000 0.00233 0.00852
|
|
182 23H-3 0.01734 -0.02064 0.00000 -0.00264 -0.02046
|
|
183 23H+4 0.00000 0.00000 -0.00160 0.00000 0.00000
|
|
184 23H-4 0.00000 0.00000 -0.00796 0.00000 0.00000
|
|
185 23H+5 -0.00049 -0.01316 0.00000 0.00271 -0.01120
|
|
186 23H-5 0.00615 -0.02385 0.00000 -0.02986 0.03696
|
|
187 3 H 1S -0.03724 0.00712 0.00000 0.00401 -0.01965
|
|
188 2S 0.52047 -0.11995 0.00000 -0.12462 0.29321
|
|
189 3S -1.78840 0.51749 0.00000 -0.83797 0.82507
|
|
190 4S -8.58466 0.22466 0.00000 2.92001 -3.59777
|
|
191 5S -0.27869 0.28427 0.00000 0.16531 -0.59645
|
|
192 6PX 0.01065 -0.00543 0.00000 -0.00412 -0.00834
|
|
193 6PY 0.00780 0.01408 0.00000 -0.02447 -0.01899
|
|
194 6PZ 0.00000 0.00000 0.00622 0.00000 0.00000
|
|
195 7PX -0.14854 0.05330 0.00000 0.04370 -0.00012
|
|
196 7PY -0.02716 -0.07119 0.00000 0.10147 0.10293
|
|
197 7PZ 0.00000 0.00000 -0.02774 0.00000 0.00000
|
|
198 8PX 0.77379 -0.36934 0.00000 0.05006 -0.50462
|
|
199 8PY 0.13892 0.41129 0.00000 -0.54545 -0.43238
|
|
200 8PZ 0.00000 0.00000 0.14121 0.00000 0.00000
|
|
201 9PX 5.73864 -0.45914 0.00000 -2.12590 3.17357
|
|
202 9PY -0.29883 -0.16364 0.00000 0.47381 -2.12723
|
|
203 9PZ 0.00000 0.00000 0.33989 0.00000 0.00000
|
|
204 10D 0 0.01897 0.01369 0.00000 -0.02544 0.01110
|
|
205 10D+1 0.00000 0.00000 -0.01513 0.00000 0.00000
|
|
206 10D-1 0.00000 0.00000 -0.00469 0.00000 0.00000
|
|
207 10D+2 0.00001 -0.00198 0.00000 -0.00634 -0.01974
|
|
208 10D-2 -0.00941 -0.00238 0.00000 0.01509 0.02817
|
|
209 11D 0 -0.10573 -0.06593 0.00000 0.13720 -0.08469
|
|
210 11D+1 0.00000 0.00000 0.07532 0.00000 0.00000
|
|
211 11D-1 0.00000 0.00000 0.02100 0.00000 0.00000
|
|
212 11D+2 0.02902 0.00936 0.00000 0.00038 0.13626
|
|
213 11D-2 0.04165 0.00757 0.00000 -0.06444 -0.15957
|
|
214 12D 0 1.39370 0.06554 0.00000 -0.87334 0.82434
|
|
215 12D+1 0.00000 0.00000 -0.38114 0.00000 0.00000
|
|
216 12D-1 0.00000 0.00000 -0.05757 0.00000 0.00000
|
|
217 12D+2 -1.77340 0.40085 0.00000 0.46074 -1.21239
|
|
218 12D-2 0.10925 -0.29234 0.00000 -0.10219 1.35163
|
|
219 13F 0 0.00000 0.00000 0.00233 0.00000 0.00000
|
|
220 13F+1 0.01238 -0.00020 0.00000 -0.00626 0.01293
|
|
221 13F-1 -0.00201 0.00236 0.00000 -0.00330 -0.00399
|
|
222 13F+2 0.00000 0.00000 0.00401 0.00000 0.00000
|
|
223 13F-2 0.00000 0.00000 0.00316 0.00000 0.00000
|
|
224 13F+3 -0.01461 0.00713 0.00000 0.00864 -0.01045
|
|
225 13F-3 0.00689 0.00174 0.00000 -0.01728 0.00555
|
|
226 14F 0 0.00000 0.00000 -0.01411 0.00000 0.00000
|
|
227 14F+1 -0.17891 0.03033 0.00000 0.07260 -0.12332
|
|
228 14F-1 0.02234 -0.02154 0.00000 0.00343 0.03819
|
|
229 14F+2 0.00000 0.00000 -0.01612 0.00000 0.00000
|
|
230 14F-2 0.00000 0.00000 -0.02130 0.00000 0.00000
|
|
231 14F+3 0.22174 -0.07364 0.00000 -0.08320 0.10398
|
|
232 14F-3 -0.08777 0.01772 0.00000 0.15649 -0.08659
|
|
233 15G 0 -0.00638 0.00136 0.00000 0.00348 -0.00436
|
|
234 15G+1 0.00000 0.00000 0.00051 0.00000 0.00000
|
|
235 15G-1 0.00000 0.00000 0.00016 0.00000 0.00000
|
|
236 15G+2 0.00882 -0.00135 0.00000 -0.00358 0.00591
|
|
237 15G-2 -0.00203 0.00051 0.00000 0.00319 -0.00280
|
|
238 15G+3 0.00000 0.00000 -0.00183 0.00000 0.00000
|
|
239 15G-3 0.00000 0.00000 0.00009 0.00000 0.00000
|
|
240 15G+4 -0.01105 0.00182 0.00000 0.00168 -0.00593
|
|
241 15G-4 0.00521 -0.00128 0.00000 -0.00556 0.00548
|
|
242 4 H 1S 0.00485 -0.03372 0.00000 0.02131 0.00246
|
|
243 2S -0.25152 0.45688 0.00000 -0.62805 -0.06839
|
|
244 3S 7.07348 -0.01380 0.00000 11.53144 1.15007
|
|
245 4S 11.10238 -4.02035 0.00000 19.91280 -3.04536
|
|
246 5S -0.61989 -0.52378 0.00000 -0.74816 0.43714
|
|
247 6PX -0.01206 -0.02559 0.00000 0.00032 0.00687
|
|
248 6PY 0.00207 0.01055 0.00000 -0.00765 -0.00147
|
|
249 6PZ 0.00000 0.00000 -0.01564 0.00000 0.00000
|
|
250 7PX 0.02758 0.21593 0.00000 -0.11040 -0.05330
|
|
251 7PY -0.01486 -0.09682 0.00000 0.07005 0.00403
|
|
252 7PZ 0.00000 0.00000 0.11939 0.00000 0.00000
|
|
253 8PX 2.27834 -0.48941 0.00000 4.06676 0.60723
|
|
254 8PY -0.56841 0.46443 0.00000 -1.61669 -0.01005
|
|
255 8PZ 0.00000 0.00000 -0.91390 0.00000 0.00000
|
|
256 9PX 3.66380 -2.73553 0.00000 7.89217 -0.44373
|
|
257 9PY -0.53244 1.88226 0.00000 -1.54537 1.61477
|
|
258 9PZ 0.00000 0.00000 -3.55209 0.00000 0.00000
|
|
259 10D 0 0.02360 -0.00137 0.00000 0.01084 -0.01264
|
|
260 10D+1 0.00000 0.00000 -0.01388 0.00000 0.00000
|
|
261 10D-1 0.00000 0.00000 -0.03314 0.00000 0.00000
|
|
262 10D+2 -0.01071 -0.01063 0.00000 -0.02658 -0.01170
|
|
263 10D-2 0.00362 0.00754 0.00000 0.00715 0.00904
|
|
264 11D 0 -0.20921 -0.02954 0.00000 -0.18194 0.05800
|
|
265 11D+1 0.00000 0.00000 0.04334 0.00000 0.00000
|
|
266 11D-1 0.00000 0.00000 0.17708 0.00000 0.00000
|
|
267 11D+2 0.19366 0.10774 0.00000 0.28545 0.07794
|
|
268 11D-2 -0.10346 -0.05086 0.00000 -0.16522 -0.03794
|
|
269 12D 0 0.16507 0.77496 0.00000 -0.85842 -0.43477
|
|
270 12D+1 0.00000 0.00000 -2.14222 0.00000 0.00000
|
|
271 12D-1 0.00000 0.00000 -0.45597 0.00000 0.00000
|
|
272 12D+2 0.58504 -1.02802 0.00000 1.25634 0.10927
|
|
273 12D-2 -0.04428 1.40994 0.00000 -1.36078 0.53214
|
|
274 13F 0 0.00000 0.00000 -0.00797 0.00000 0.00000
|
|
275 13F+1 -0.01260 -0.00556 0.00000 -0.01905 0.00055
|
|
276 13F-1 -0.00060 0.00140 0.00000 0.00700 0.00132
|
|
277 13F+2 0.00000 0.00000 0.00662 0.00000 0.00000
|
|
278 13F-2 0.00000 0.00000 0.00063 0.00000 0.00000
|
|
279 13F+3 0.00818 0.00210 0.00000 0.00437 0.00175
|
|
280 13F-3 -0.01499 -0.00512 0.00000 -0.00716 -0.00435
|
|
281 14F 0 0.00000 0.00000 0.19491 0.00000 0.00000
|
|
282 14F+1 0.00994 0.10869 0.00000 -0.04825 -0.01115
|
|
283 14F-1 0.02122 -0.05042 0.00000 0.02858 -0.02121
|
|
284 14F+2 0.00000 0.00000 -0.22490 0.00000 0.00000
|
|
285 14F-2 0.00000 0.00000 0.05745 0.00000 0.00000
|
|
286 14F+3 0.06206 -0.02094 0.00000 0.09244 0.04693
|
|
287 14F-3 0.03323 0.18139 0.00000 -0.18136 0.06702
|
|
288 15G 0 -0.00019 -0.00464 0.00000 0.00518 -0.00212
|
|
289 15G+1 0.00000 0.00000 0.01325 0.00000 0.00000
|
|
290 15G-1 0.00000 0.00000 -0.00279 0.00000 0.00000
|
|
291 15G+2 0.00111 0.00668 0.00000 -0.00458 -0.00053
|
|
292 15G-2 0.00131 -0.00607 0.00000 0.00492 -0.00196
|
|
293 15G+3 0.00000 0.00000 -0.01365 0.00000 0.00000
|
|
294 15G-3 0.00000 0.00000 0.00200 0.00000 0.00000
|
|
295 15G+4 0.00498 0.00112 0.00000 0.00056 0.00330
|
|
296 15G-4 -0.00118 0.01282 0.00000 -0.01097 0.00219
|
|
297 5 H 1S 0.01048 -0.00607 -0.00939 -0.00823 -0.01696
|
|
298 2S -0.12011 0.17563 0.34808 0.11269 0.33573
|
|
299 3S -2.24091 -1.73629 -9.53234 -2.05627 -0.46324
|
|
300 4S -1.30877 -4.67310 -15.65652 -4.54340 -6.21909
|
|
301 5S 0.46411 -0.25478 1.17135 0.76870 -0.50179
|
|
302 6PX -0.01384 -0.00719 0.00023 -0.00683 0.00960
|
|
303 6PY -0.00455 -0.00199 0.00121 -0.00514 0.00297
|
|
304 6PZ -0.00622 0.00207 -0.01508 0.00082 0.00611
|
|
305 7PX 0.09810 0.04736 -0.04659 0.05445 -0.07553
|
|
306 7PY 0.04175 0.02262 -0.01196 0.02127 -0.05405
|
|
307 7PZ 0.04180 -0.05652 0.03995 -0.03279 -0.08008
|
|
308 8PX -0.22699 -0.22511 1.85250 -0.18128 0.49427
|
|
309 8PY 0.12531 -0.10250 1.40283 0.17210 0.41850
|
|
310 8PZ 0.68462 1.00827 2.41668 0.93492 0.35793
|
|
311 9PX -1.59122 -0.95172 4.30460 -1.10610 1.30488
|
|
312 9PY -0.85470 0.37076 0.31976 -0.28452 2.14134
|
|
313 9PZ 0.80407 2.83908 4.05148 2.43507 2.45513
|
|
314 10D 0 -0.00083 0.00524 0.01615 -0.00210 -0.00313
|
|
315 10D+1 0.00839 0.01520 0.01559 0.00376 0.00653
|
|
316 10D-1 0.00894 -0.01541 0.01191 0.02095 0.00277
|
|
317 10D+2 0.00596 -0.01566 -0.00330 0.00952 0.00103
|
|
318 10D-2 -0.00061 0.00464 0.01688 -0.01216 -0.01734
|
|
319 11D 0 -0.04713 -0.08816 -0.18302 -0.03870 0.04042
|
|
320 11D+1 -0.07692 -0.09146 -0.23229 -0.04423 -0.03045
|
|
321 11D-1 -0.08824 0.05775 -0.18246 -0.13527 -0.01950
|
|
322 11D+2 -0.02308 0.07914 0.00851 -0.04572 -0.00226
|
|
323 11D-2 -0.00886 -0.00754 -0.15972 0.05950 0.07644
|
|
324 12D 0 -0.67977 -1.42713 0.15080 -1.23737 -0.31273
|
|
325 12D+1 0.87205 0.43730 -1.03957 0.44034 -0.49273
|
|
326 12D-1 0.37717 -0.40717 -0.21049 0.31937 -0.99075
|
|
327 12D+2 0.37544 -0.20410 -0.86363 0.66078 0.11912
|
|
328 12D-2 0.42958 0.61123 -0.13738 0.06618 -1.12790
|
|
329 13F 0 -0.00381 -0.00167 0.00345 -0.00492 -0.00213
|
|
330 13F+1 0.00408 0.00401 0.01555 0.00523 0.00094
|
|
331 13F-1 0.00375 0.00146 0.01126 0.00434 -0.00313
|
|
332 13F+2 0.00150 0.00051 -0.00520 0.00262 0.00195
|
|
333 13F-2 0.00540 0.00157 0.01141 0.00220 -0.00266
|
|
334 13F+3 -0.00319 -0.00177 -0.00672 0.00489 0.00274
|
|
335 13F-3 -0.00070 0.00393 0.00213 0.00636 -0.00280
|
|
336 14F 0 0.13894 0.21691 -0.06343 0.19034 -0.04100
|
|
337 14F+1 -0.05035 0.06173 0.03913 -0.00215 0.02667
|
|
338 14F-1 -0.00003 0.07671 -0.00592 0.02609 0.10747
|
|
339 14F+2 -0.06186 -0.01942 0.14682 -0.06652 -0.03930
|
|
340 14F-2 -0.08781 -0.07041 0.04398 -0.05220 0.13383
|
|
341 14F+3 0.01475 0.03443 0.07340 -0.02658 -0.05567
|
|
342 14F-3 -0.02976 -0.07238 0.03948 -0.07920 0.05263
|
|
343 15G 0 -0.00997 -0.01039 0.00454 -0.01136 0.00573
|
|
344 15G+1 -0.00039 -0.00984 0.00100 -0.00440 -0.00061
|
|
345 15G-1 -0.00137 -0.00951 -0.00013 -0.00411 -0.00382
|
|
346 15G+2 0.00334 -0.00058 -0.00684 0.00300 0.00283
|
|
347 15G-2 0.00503 -0.00126 -0.00287 0.00056 -0.00885
|
|
348 15G+3 0.00123 -0.00095 -0.00633 0.00017 0.00584
|
|
349 15G-3 0.00464 0.00398 -0.00444 0.00398 -0.00408
|
|
350 15G+4 0.00076 -0.00197 -0.00279 -0.00057 0.00178
|
|
351 15G-4 0.00035 0.00093 -0.00175 0.00090 -0.00021
|
|
352 6 H 1S 0.01048 -0.00607 0.00939 -0.00823 -0.01696
|
|
353 2S -0.12011 0.17563 -0.34808 0.11269 0.33573
|
|
354 3S -2.24091 -1.73629 9.53234 -2.05627 -0.46324
|
|
355 4S -1.30877 -4.67310 15.65652 -4.54340 -6.21909
|
|
356 5S 0.46411 -0.25478 -1.17135 0.76870 -0.50179
|
|
357 6PX -0.01384 -0.00719 -0.00023 -0.00683 0.00960
|
|
358 6PY -0.00455 -0.00199 -0.00121 -0.00514 0.00297
|
|
359 6PZ 0.00622 -0.00207 -0.01508 -0.00082 -0.00611
|
|
360 7PX 0.09810 0.04736 0.04659 0.05445 -0.07553
|
|
361 7PY 0.04175 0.02262 0.01196 0.02127 -0.05405
|
|
362 7PZ -0.04180 0.05652 0.03995 0.03279 0.08008
|
|
363 8PX -0.22699 -0.22511 -1.85250 -0.18128 0.49427
|
|
364 8PY 0.12531 -0.10250 -1.40283 0.17210 0.41850
|
|
365 8PZ -0.68462 -1.00827 2.41668 -0.93492 -0.35793
|
|
366 9PX -1.59122 -0.95172 -4.30460 -1.10610 1.30488
|
|
367 9PY -0.85470 0.37076 -0.31976 -0.28452 2.14134
|
|
368 9PZ -0.80407 -2.83908 4.05148 -2.43507 -2.45513
|
|
369 10D 0 -0.00083 0.00524 -0.01615 -0.00210 -0.00313
|
|
370 10D+1 -0.00839 -0.01520 0.01559 -0.00376 -0.00653
|
|
371 10D-1 -0.00894 0.01541 0.01191 -0.02095 -0.00277
|
|
372 10D+2 0.00596 -0.01566 0.00330 0.00952 0.00103
|
|
373 10D-2 -0.00061 0.00464 -0.01688 -0.01216 -0.01734
|
|
374 11D 0 -0.04713 -0.08816 0.18302 -0.03870 0.04042
|
|
375 11D+1 0.07692 0.09146 -0.23229 0.04423 0.03045
|
|
376 11D-1 0.08824 -0.05775 -0.18246 0.13527 0.01950
|
|
377 11D+2 -0.02308 0.07914 -0.00851 -0.04572 -0.00226
|
|
378 11D-2 -0.00886 -0.00754 0.15972 0.05950 0.07644
|
|
379 12D 0 -0.67977 -1.42713 -0.15080 -1.23737 -0.31273
|
|
380 12D+1 -0.87205 -0.43730 -1.03957 -0.44034 0.49273
|
|
381 12D-1 -0.37717 0.40717 -0.21049 -0.31937 0.99075
|
|
382 12D+2 0.37544 -0.20410 0.86363 0.66078 0.11912
|
|
383 12D-2 0.42958 0.61123 0.13738 0.06618 -1.12790
|
|
384 13F 0 0.00381 0.00167 0.00345 0.00492 0.00213
|
|
385 13F+1 0.00408 0.00401 -0.01555 0.00523 0.00094
|
|
386 13F-1 0.00375 0.00146 -0.01126 0.00434 -0.00313
|
|
387 13F+2 -0.00150 -0.00051 -0.00520 -0.00262 -0.00195
|
|
388 13F-2 -0.00540 -0.00157 0.01141 -0.00220 0.00266
|
|
389 13F+3 -0.00319 -0.00177 0.00672 0.00489 0.00274
|
|
390 13F-3 -0.00070 0.00393 -0.00213 0.00636 -0.00280
|
|
391 14F 0 -0.13894 -0.21691 -0.06343 -0.19034 0.04100
|
|
392 14F+1 -0.05035 0.06173 -0.03913 -0.00215 0.02667
|
|
393 14F-1 -0.00003 0.07671 0.00592 0.02609 0.10747
|
|
394 14F+2 0.06186 0.01942 0.14682 0.06652 0.03930
|
|
395 14F-2 0.08781 0.07041 0.04398 0.05220 -0.13383
|
|
396 14F+3 0.01475 0.03443 -0.07340 -0.02658 -0.05567
|
|
397 14F-3 -0.02976 -0.07238 -0.03948 -0.07920 0.05263
|
|
398 15G 0 -0.00997 -0.01039 -0.00454 -0.01136 0.00573
|
|
399 15G+1 0.00039 0.00984 0.00100 0.00440 0.00061
|
|
400 15G-1 0.00137 0.00951 -0.00013 0.00411 0.00382
|
|
401 15G+2 0.00334 -0.00058 0.00684 0.00300 0.00283
|
|
402 15G-2 0.00503 -0.00126 0.00287 0.00056 -0.00885
|
|
403 15G+3 -0.00123 0.00095 -0.00633 -0.00017 -0.00584
|
|
404 15G-3 -0.00464 -0.00398 -0.00444 -0.00398 0.00408
|
|
405 15G+4 0.00076 -0.00197 0.00279 -0.00057 0.00178
|
|
406 15G-4 0.00035 0.00093 0.00175 0.00090 -0.00021
|
|
101 102 103 104 105
|
|
V V V V V
|
|
Eigenvalues -- 2.26203 2.28256 2.31396 2.33777 2.36147
|
|
1 1 C 1S 0.00000 0.00000 0.00076 -0.00585 0.00000
|
|
2 2S 0.00000 0.00000 -0.01642 0.02594 0.00000
|
|
3 3S 0.00000 0.00000 -0.05440 0.07999 0.00000
|
|
4 4S 0.00000 0.00000 -0.58270 0.98255 0.00000
|
|
5 5S 0.00000 0.00000 3.47050 -7.50585 0.00000
|
|
6 6S 0.00000 0.00000 1.05165 -4.69764 0.00000
|
|
7 7PX 0.00000 0.00000 -0.04365 -0.01775 0.00000
|
|
8 7PY 0.00000 0.00000 0.00502 0.08929 0.00000
|
|
9 7PZ -0.00045 0.06439 0.00000 0.00000 -0.05335
|
|
10 8PX 0.00000 0.00000 -0.72150 -0.34854 0.00000
|
|
11 8PY 0.00000 0.00000 -0.22680 0.04000 0.00000
|
|
12 8PZ -1.03356 -0.02977 0.00000 0.00000 -0.48254
|
|
13 9PX 0.00000 0.00000 10.55942 3.35829 0.00000
|
|
14 9PY 0.00000 0.00000 2.22715 0.57902 0.00000
|
|
15 9PZ 13.31482 -1.05479 0.00000 0.00000 6.09606
|
|
16 10PX 0.00000 0.00000 8.98472 3.43797 0.00000
|
|
17 10PY 0.00000 0.00000 1.20669 8.53683 0.00000
|
|
18 10PZ 15.64868 4.37024 0.00000 0.00000 0.35719
|
|
19 11PX 0.00000 0.00000 0.78031 0.71447 0.00000
|
|
20 11PY 0.00000 0.00000 -0.00901 0.52952 0.00000
|
|
21 11PZ 1.32638 -0.31982 0.00000 0.00000 0.69136
|
|
22 12D 0 0.00000 0.00000 -0.03719 0.00148 0.00000
|
|
23 12D+1 -0.03796 0.01500 0.00000 0.00000 -0.02520
|
|
24 12D-1 -0.03457 0.01376 0.00000 0.00000 -0.01283
|
|
25 12D+2 0.00000 0.00000 0.02237 0.01972 0.00000
|
|
26 12D-2 0.00000 0.00000 -0.02528 -0.01301 0.00000
|
|
27 13D 0 0.00000 0.00000 0.26941 0.02086 0.00000
|
|
28 13D+1 0.28081 -0.08611 0.00000 0.00000 0.20244
|
|
29 13D-1 0.12743 -0.11675 0.00000 0.00000 0.00108
|
|
30 13D+2 0.00000 0.00000 -0.16407 -0.04069 0.00000
|
|
31 13D-2 0.00000 0.00000 0.09069 0.05287 0.00000
|
|
32 14D 0 0.00000 0.00000 1.30950 0.02053 0.00000
|
|
33 14D+1 1.48183 -0.66383 0.00000 0.00000 0.15470
|
|
34 14D-1 3.53560 0.50834 0.00000 0.00000 3.17883
|
|
35 14D+2 0.00000 0.00000 -0.75614 -1.92209 0.00000
|
|
36 14D-2 0.00000 0.00000 2.61106 0.10783 0.00000
|
|
37 15D 0 0.00000 0.00000 -1.21447 0.83409 0.00000
|
|
38 15D+1 0.19596 0.68530 0.00000 0.00000 -2.73150
|
|
39 15D-1 2.91129 -0.29483 0.00000 0.00000 4.51570
|
|
40 15D+2 0.00000 0.00000 -0.09345 1.63011 0.00000
|
|
41 15D-2 0.00000 0.00000 4.26232 -2.36740 0.00000
|
|
42 16F 0 -0.02535 0.01454 0.00000 0.00000 0.01684
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305 7PX -0.12373 -0.01975 -0.05196 -0.02580 -0.01398
|
|
306 7PY -0.00405 0.03723 -0.00640 0.08563 0.01370
|
|
307 7PZ -0.14997 0.09964 -0.09625 -0.03518 -0.10428
|
|
308 8PX 2.04668 0.34131 0.65996 0.09261 0.67963
|
|
309 8PY 0.88147 -0.17987 0.40981 -0.77409 0.16885
|
|
310 8PZ 2.83139 -0.31867 1.80508 0.28530 1.56195
|
|
311 9PX 4.72982 -0.26251 -0.41611 -0.02489 3.08625
|
|
312 9PY 3.04618 -0.18245 0.66513 -0.55661 -1.28491
|
|
313 9PZ 5.00256 -0.69819 4.96288 0.51804 2.41561
|
|
314 10D 0 0.02031 -0.00473 0.01194 -0.00033 -0.00054
|
|
315 10D+1 0.01709 0.00384 0.00695 0.00324 0.01288
|
|
316 10D-1 0.00338 0.00283 0.00455 -0.00770 0.01097
|
|
317 10D+2 0.01439 0.00699 0.00432 -0.00562 -0.02543
|
|
318 10D-2 0.00410 -0.00785 -0.00478 0.00931 0.00508
|
|
319 11D 0 -0.15812 0.00647 -0.12067 -0.02087 -0.02798
|
|
320 11D+1 -0.19574 -0.04706 -0.06820 -0.01517 -0.11449
|
|
321 11D-1 -0.07778 -0.02454 -0.05227 0.06057 -0.05737
|
|
322 11D+2 -0.09148 -0.04343 -0.01748 0.01907 0.11195
|
|
323 11D-2 -0.06672 0.02929 0.02330 -0.02839 -0.03192
|
|
324 12D 0 -0.13095 0.24808 -1.69595 -0.48508 -0.90629
|
|
325 12D+1 -1.88505 0.33447 -0.24341 -0.05183 -1.27919
|
|
326 12D-1 -1.25161 0.66153 -0.81882 0.26720 0.26305
|
|
327 12D+2 -0.16637 0.01723 0.37838 -0.42343 -1.49089
|
|
328 12D-2 -1.16827 0.02125 0.02278 0.69911 -0.21913
|
|
329 13F 0 0.00744 -0.00236 -0.00489 0.00269 0.00351
|
|
330 13F+1 0.00834 0.00310 0.00543 0.00110 0.00015
|
|
331 13F-1 0.00541 0.00289 -0.00339 0.00059 -0.00051
|
|
332 13F+2 0.00641 0.00292 0.00281 0.00280 -0.00557
|
|
333 13F-2 -0.00237 0.00314 0.00268 -0.00081 -0.00039
|
|
334 13F+3 -0.00176 -0.00173 0.00503 -0.00002 0.00336
|
|
335 13F-3 0.00142 0.00230 0.00357 0.00721 -0.00461
|
|
336 14F 0 -0.12981 0.01930 0.21244 0.05518 0.02390
|
|
337 14F+1 0.13454 -0.03572 0.07728 0.02748 0.17859
|
|
338 14F-1 0.05724 -0.06576 0.17691 -0.01001 -0.02197
|
|
339 14F+2 0.04728 0.00576 -0.07805 0.02745 0.21122
|
|
340 14F-2 0.24045 -0.05835 -0.01462 -0.07149 0.05012
|
|
341 14F+3 -0.02330 0.02641 -0.02878 0.04740 0.02946
|
|
342 14F-3 0.07282 -0.02216 -0.06197 -0.07800 0.08994
|
|
343 15G 0 0.01038 -0.00278 -0.00603 -0.00253 -0.00037
|
|
344 15G+1 -0.00044 0.00074 -0.01017 -0.00165 -0.00894
|
|
345 15G-1 0.00109 0.00167 -0.01310 -0.00433 0.00115
|
|
346 15G+2 -0.00340 -0.00046 0.00595 -0.00181 -0.01558
|
|
347 15G-2 -0.01413 0.00412 -0.00397 0.00222 -0.00279
|
|
348 15G+3 0.00680 -0.00197 0.00193 -0.00521 -0.00757
|
|
349 15G-3 -0.01073 0.00281 0.00444 0.00425 -0.00944
|
|
350 15G+4 0.00290 -0.00185 -0.00116 -0.00296 0.00040
|
|
351 15G-4 -0.00167 0.00017 0.00111 0.00064 -0.00440
|
|
352 6 H 1S 0.02491 -0.00729 -0.01146 -0.00616 0.00170
|
|
353 2S -0.64613 0.19265 0.42028 -0.06511 -0.38679
|
|
354 3S 8.05111 0.42167 -4.56436 0.28315 3.56987
|
|
355 4S 15.22039 0.79295 -7.35892 -1.14231 3.73322
|
|
356 5S 0.04123 -0.55343 -0.07756 -0.01245 0.62464
|
|
357 6PX -0.00833 -0.00673 0.01035 0.00505 0.00775
|
|
358 6PY 0.00968 0.00240 -0.00292 -0.01349 0.00392
|
|
359 6PZ 0.01217 -0.01326 -0.00184 -0.00651 0.00922
|
|
360 7PX 0.12373 0.01975 -0.05196 -0.02580 0.01398
|
|
361 7PY 0.00405 -0.03723 -0.00640 0.08563 -0.01370
|
|
362 7PZ -0.14997 0.09964 0.09625 0.03518 -0.10428
|
|
363 8PX -2.04668 -0.34131 0.65996 0.09261 -0.67963
|
|
364 8PY -0.88147 0.17987 0.40981 -0.77409 -0.16885
|
|
365 8PZ 2.83139 -0.31867 -1.80508 -0.28530 1.56195
|
|
366 9PX -4.72982 0.26251 -0.41611 -0.02489 -3.08625
|
|
367 9PY -3.04618 0.18245 0.66513 -0.55661 1.28491
|
|
368 9PZ 5.00256 -0.69819 -4.96288 -0.51804 2.41561
|
|
369 10D 0 -0.02031 0.00473 0.01194 -0.00033 0.00054
|
|
370 10D+1 0.01709 0.00384 -0.00695 -0.00324 0.01288
|
|
371 10D-1 0.00338 0.00283 -0.00455 0.00770 0.01097
|
|
372 10D+2 -0.01439 -0.00699 0.00432 -0.00562 0.02543
|
|
373 10D-2 -0.00410 0.00785 -0.00478 0.00931 -0.00508
|
|
374 11D 0 0.15812 -0.00647 -0.12067 -0.02087 0.02798
|
|
375 11D+1 -0.19574 -0.04706 0.06820 0.01517 -0.11449
|
|
376 11D-1 -0.07778 -0.02454 0.05227 -0.06057 -0.05737
|
|
377 11D+2 0.09148 0.04343 -0.01748 0.01907 -0.11195
|
|
378 11D-2 0.06672 -0.02929 0.02330 -0.02839 0.03192
|
|
379 12D 0 0.13095 -0.24808 -1.69595 -0.48508 0.90629
|
|
380 12D+1 -1.88505 0.33447 0.24341 0.05183 -1.27919
|
|
381 12D-1 -1.25161 0.66153 0.81882 -0.26720 0.26305
|
|
382 12D+2 0.16637 -0.01723 0.37838 -0.42343 1.49089
|
|
383 12D-2 1.16827 -0.02125 0.02278 0.69911 0.21913
|
|
384 13F 0 0.00744 -0.00236 0.00489 -0.00269 0.00351
|
|
385 13F+1 -0.00834 -0.00310 0.00543 0.00110 -0.00015
|
|
386 13F-1 -0.00541 -0.00289 -0.00339 0.00059 0.00051
|
|
387 13F+2 0.00641 0.00292 -0.00281 -0.00280 -0.00557
|
|
388 13F-2 -0.00237 0.00314 -0.00268 0.00081 -0.00039
|
|
389 13F+3 0.00176 0.00173 0.00503 -0.00002 -0.00336
|
|
390 13F-3 -0.00142 -0.00230 0.00357 0.00721 0.00461
|
|
391 14F 0 -0.12981 0.01930 -0.21244 -0.05518 0.02390
|
|
392 14F+1 -0.13454 0.03572 0.07728 0.02748 -0.17859
|
|
393 14F-1 -0.05724 0.06576 0.17691 -0.01001 0.02197
|
|
394 14F+2 0.04728 0.00576 0.07805 -0.02745 0.21122
|
|
395 14F-2 0.24045 -0.05835 0.01462 0.07149 0.05012
|
|
396 14F+3 0.02330 -0.02641 -0.02878 0.04740 -0.02946
|
|
397 14F-3 -0.07282 0.02216 -0.06197 -0.07800 -0.08994
|
|
398 15G 0 -0.01038 0.00278 -0.00603 -0.00253 0.00037
|
|
399 15G+1 -0.00044 0.00074 0.01017 0.00165 -0.00894
|
|
400 15G-1 0.00109 0.00167 0.01310 0.00433 0.00115
|
|
401 15G+2 0.00340 0.00046 0.00595 -0.00181 0.01558
|
|
402 15G-2 0.01413 -0.00412 -0.00397 0.00222 0.00279
|
|
403 15G+3 0.00680 -0.00197 -0.00193 0.00521 -0.00757
|
|
404 15G-3 -0.01073 0.00281 -0.00444 -0.00425 -0.00944
|
|
405 15G+4 -0.00290 0.00185 -0.00116 -0.00296 -0.00040
|
|
406 15G-4 0.00167 -0.00017 0.00111 0.00064 0.00440
|
|
106 107 108 109 110
|
|
V V V V V
|
|
Eigenvalues -- 2.37080 2.40098 2.40872 2.47094 2.47463
|
|
1 1 C 1S -0.00119 0.00027 0.00000 0.01199 -0.02078
|
|
2 2S -0.00071 0.00213 0.00000 -0.02365 0.04893
|
|
3 3S -0.00910 -0.03968 0.00000 0.00658 0.05963
|
|
4 4S -0.19106 1.54143 0.00000 -0.90856 -0.69418
|
|
5 5S 0.38732 -9.46997 0.00000 6.70466 1.30481
|
|
6 6S -1.50642 -2.80712 0.00000 4.97558 -1.04877
|
|
7 7PX -0.07598 -0.00061 0.00000 0.04071 -0.00373
|
|
8 7PY 0.00241 -0.00437 0.00000 0.00121 -0.06944
|
|
9 7PZ 0.00000 0.00000 0.06781 0.00000 0.00000
|
|
10 8PX -0.57322 -0.71487 0.00000 -0.74374 -0.04612
|
|
11 8PY -0.10816 0.07036 0.00000 -0.00733 -0.23317
|
|
12 8PZ 0.00000 0.00000 0.12733 0.00000 0.00000
|
|
13 9PX 7.38374 7.77986 0.00000 7.03264 1.19824
|
|
14 9PY 0.87060 -0.29722 0.00000 0.51209 0.04432
|
|
15 9PZ 0.00000 0.00000 -2.10559 0.00000 0.00000
|
|
16 10PX -0.79302 7.26861 0.00000 8.93942 -1.11502
|
|
17 10PY 0.88479 -4.58013 0.00000 -0.18018 6.08417
|
|
18 10PZ 0.00000 0.00000 2.31089 0.00000 0.00000
|
|
19 11PX 0.55879 0.56290 0.00000 0.11181 -0.28464
|
|
20 11PY 0.16105 -0.21630 0.00000 -0.29999 0.91946
|
|
21 11PZ 0.00000 0.00000 -0.38762 0.00000 0.00000
|
|
22 12D 0 -0.03060 -0.01857 0.00000 -0.01082 -0.00129
|
|
23 12D+1 0.00000 0.00000 0.01576 0.00000 0.00000
|
|
24 12D-1 0.00000 0.00000 0.01562 0.00000 0.00000
|
|
25 12D+2 0.02261 0.00945 0.00000 0.00149 0.01195
|
|
26 12D-2 -0.01554 -0.01053 0.00000 -0.00321 -0.00500
|
|
27 13D 0 0.19568 0.05407 0.00000 -0.00146 0.03052
|
|
28 13D+1 0.00000 0.00000 -0.10907 0.00000 0.00000
|
|
29 13D-1 0.00000 0.00000 -0.06321 0.00000 0.00000
|
|
30 13D+2 -0.11955 -0.09581 0.00000 -0.02350 0.00749
|
|
31 13D-2 0.02300 0.04727 0.00000 0.06892 0.03620
|
|
32 14D 0 1.02707 2.37097 0.00000 2.78439 0.82537
|
|
33 14D+1 0.00000 0.00000 -0.55342 0.00000 0.00000
|
|
34 14D-1 0.00000 0.00000 -0.77190 0.00000 0.00000
|
|
35 14D+2 -1.15089 -0.74059 0.00000 -0.84030 0.38637
|
|
36 14D-2 2.77385 1.80090 0.00000 0.97484 -0.06513
|
|
37 15D 0 -1.42306 -0.62405 0.00000 1.82695 1.52357
|
|
38 15D+1 0.00000 0.00000 1.07025 0.00000 0.00000
|
|
39 15D-1 0.00000 0.00000 -1.33797 0.00000 0.00000
|
|
40 15D+2 0.49295 -1.85589 0.00000 -0.99629 2.18741
|
|
41 15D-2 3.89235 1.71021 0.00000 1.54251 0.56533
|
|
42 16F 0 0.00000 0.00000 -0.05386 0.00000 0.00000
|
|
43 16F+1 0.01441 -0.01205 0.00000 -0.02155 -0.01261
|
|
44 16F-1 -0.01265 0.02775 0.00000 0.00944 -0.00584
|
|
45 16F+2 0.00000 0.00000 0.02243 0.00000 0.00000
|
|
46 16F-2 0.00000 0.00000 0.01402 0.00000 0.00000
|
|
47 16F+3 0.03807 -0.01804 0.00000 -0.01205 0.00456
|
|
48 16F-3 0.00613 0.02567 0.00000 -0.00176 -0.01242
|
|
49 17F 0 0.00000 0.00000 0.40936 0.00000 0.00000
|
|
50 17F+1 -0.08093 0.08101 0.00000 0.23550 0.09294
|
|
51 17F-1 0.31707 -0.03418 0.00000 0.07941 0.05112
|
|
52 17F+2 0.00000 0.00000 -0.18879 0.00000 0.00000
|
|
53 17F-2 0.00000 0.00000 -0.21123 0.00000 0.00000
|
|
54 17F+3 -0.17350 0.27585 0.00000 0.21353 -0.00885
|
|
55 17F-3 -0.18218 -0.28881 0.00000 -0.03324 0.03687
|
|
56 18F 0 0.00000 0.00000 -0.25773 0.00000 0.00000
|
|
57 18F+1 0.62682 -0.21143 0.00000 0.76913 -0.21181
|
|
58 18F-1 0.98576 0.67062 0.00000 0.39171 0.39723
|
|
59 18F+2 0.00000 0.00000 0.18745 0.00000 0.00000
|
|
60 18F-2 0.00000 0.00000 -0.21658 0.00000 0.00000
|
|
61 18F+3 1.75625 1.29629 0.00000 2.38987 0.50509
|
|
62 18F-3 -0.77946 0.10802 0.00000 0.55734 0.33575
|
|
63 19G 0 -0.02026 -0.01585 0.00000 -0.01300 -0.00672
|
|
64 19G+1 0.00000 0.00000 -0.01400 0.00000 0.00000
|
|
65 19G-1 0.00000 0.00000 -0.00892 0.00000 0.00000
|
|
66 19G+2 0.01380 0.00913 0.00000 -0.00016 -0.00538
|
|
67 19G-2 0.01611 0.00950 0.00000 0.00856 0.00945
|
|
68 19G+3 0.00000 0.00000 0.00918 0.00000 0.00000
|
|
69 19G-3 0.00000 0.00000 -0.00877 0.00000 0.00000
|
|
70 19G+4 -0.00325 -0.01656 0.00000 0.00342 -0.00315
|
|
71 19G-4 0.02585 0.01893 0.00000 0.02048 0.00055
|
|
72 20G 0 -0.22149 -0.11695 0.00000 -0.11575 0.06525
|
|
73 20G+1 0.00000 0.00000 0.13427 0.00000 0.00000
|
|
74 20G-1 0.00000 0.00000 0.13858 0.00000 0.00000
|
|
75 20G+2 -0.03657 0.42704 0.00000 0.55751 0.06213
|
|
76 20G-2 0.05571 -0.09490 0.00000 0.15707 0.01296
|
|
77 20G+3 0.00000 0.00000 0.02441 0.00000 0.00000
|
|
78 20G-3 0.00000 0.00000 -0.05742 0.00000 0.00000
|
|
79 20G+4 0.00240 0.03016 0.00000 -0.31040 0.00001
|
|
80 20G-4 0.02491 0.22556 0.00000 0.11703 -0.03263
|
|
81 21H 0 0.00000 0.00000 0.00714 0.00000 0.00000
|
|
82 21H+1 -0.03442 0.01621 0.00000 0.02703 0.00725
|
|
83 21H-1 -0.02115 -0.00640 0.00000 0.00225 0.00562
|
|
84 21H+2 0.00000 0.00000 0.01307 0.00000 0.00000
|
|
85 21H-2 0.00000 0.00000 0.01278 0.00000 0.00000
|
|
86 21H+3 -0.01217 0.02278 0.00000 0.00081 0.00822
|
|
87 21H-3 0.01654 0.03202 0.00000 0.04021 -0.00289
|
|
88 21H+4 0.00000 0.00000 -0.00018 0.00000 0.00000
|
|
89 21H-4 0.00000 0.00000 -0.00084 0.00000 0.00000
|
|
90 21H+5 -0.02614 -0.00940 0.00000 0.02923 -0.00115
|
|
91 21H-5 -0.00480 -0.01622 0.00000 -0.00824 0.00559
|
|
92 2 S 1S 0.00029 0.00760 0.00000 -0.00228 0.00330
|
|
93 2S 0.00064 -0.01461 0.00000 0.00891 0.02132
|
|
94 3S 0.00468 0.02293 0.00000 0.00415 0.09580
|
|
95 4S 0.01973 -0.33451 0.00000 0.14225 0.57085
|
|
96 5S -0.15448 2.73324 0.00000 -0.35175 -3.31816
|
|
97 6S 0.47752 -6.85095 0.00000 -0.61884 8.19934
|
|
98 7S 0.64598 -0.30638 0.00000 -0.99318 3.34098
|
|
99 8PX -0.01217 0.00252 0.00000 -0.01542 -0.02155
|
|
100 8PY -0.00253 0.03315 0.00000 0.00577 -0.01937
|
|
101 8PZ 0.00000 0.00000 -0.00684 0.00000 0.00000
|
|
102 9PX 0.02232 0.02956 0.00000 0.03185 0.00931
|
|
103 9PY 0.01158 -0.04915 0.00000 -0.00717 0.06216
|
|
104 9PZ 0.00000 0.00000 0.00857 0.00000 0.00000
|
|
105 10PX 0.02717 0.16922 0.00000 0.02379 -0.22201
|
|
106 10PY 0.02970 0.10017 0.00000 0.02874 0.18055
|
|
107 10PZ 0.00000 0.00000 -0.03386 0.00000 0.00000
|
|
108 11PX -0.19032 0.20830 0.00000 -0.04384 1.09805
|
|
109 11PY -0.05010 -1.47675 0.00000 -0.35069 -0.44112
|
|
110 11PZ 0.00000 0.00000 0.31204 0.00000 0.00000
|
|
111 12PX 3.11881 -3.29583 0.00000 1.21207 2.79088
|
|
112 12PY 0.47653 1.25778 0.00000 -0.07525 3.32889
|
|
113 12PZ 0.00000 0.00000 -0.51949 0.00000 0.00000
|
|
114 13PX 0.07922 -0.03174 0.00000 -0.03643 0.18761
|
|
115 13PY 0.04929 0.53836 0.00000 -0.13784 0.29929
|
|
116 13PZ 0.00000 0.00000 0.01098 0.00000 0.00000
|
|
117 14D 0 0.24144 0.59236 0.00000 -0.17547 -1.09426
|
|
118 14D+1 0.00000 0.00000 0.47425 0.00000 0.00000
|
|
119 14D-1 0.00000 0.00000 -0.74097 0.00000 0.00000
|
|
120 14D+2 0.09227 -2.93603 0.00000 0.50745 -0.52386
|
|
121 14D-2 2.29620 1.58374 0.00000 1.18509 -0.07293
|
|
122 15D 0 -0.00539 0.49713 0.00000 0.08264 -0.59991
|
|
123 15D+1 0.00000 0.00000 0.25811 0.00000 0.00000
|
|
124 15D-1 0.00000 0.00000 -0.09498 0.00000 0.00000
|
|
125 15D+2 -0.02916 0.14543 0.00000 0.34317 0.58401
|
|
126 15D-2 0.54043 0.17129 0.00000 0.49340 -0.22486
|
|
127 16D 0 0.01571 -0.06626 0.00000 -0.00381 0.08303
|
|
128 16D+1 0.00000 0.00000 -0.01768 0.00000 0.00000
|
|
129 16D-1 0.00000 0.00000 0.01268 0.00000 0.00000
|
|
130 16D+2 -0.01450 0.01910 0.00000 -0.00133 -0.06866
|
|
131 16D-2 0.00774 -0.02199 0.00000 0.03262 0.06189
|
|
132 17D 0 0.00694 0.02196 0.00000 -0.00025 -0.02837
|
|
133 17D+1 0.00000 0.00000 0.01588 0.00000 0.00000
|
|
134 17D-1 0.00000 0.00000 -0.01312 0.00000 0.00000
|
|
135 17D+2 -0.00830 -0.00668 0.00000 0.02821 -0.00971
|
|
136 17D-2 0.06602 0.01347 0.00000 0.04181 0.00050
|
|
137 18F 0 0.00000 0.00000 0.14359 0.00000 0.00000
|
|
138 18F+1 -0.20336 -0.35515 0.00000 0.47657 -0.24406
|
|
139 18F-1 0.29012 -0.19884 0.00000 0.04293 -0.62644
|
|
140 18F+2 0.00000 0.00000 0.60970 0.00000 0.00000
|
|
141 18F-2 0.00000 0.00000 0.07597 0.00000 0.00000
|
|
142 18F+3 -0.93079 -0.89801 0.00000 0.44749 0.09022
|
|
143 18F-3 0.01012 -0.22431 0.00000 0.39558 -1.07989
|
|
144 19F 0 0.00000 0.00000 -0.17915 0.00000 0.00000
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391 14F 0 -0.13192 -0.02793 -0.14167 -0.00817 0.00390
|
|
392 14F+1 0.13637 -0.02611 0.08643 -0.01949 -0.01555
|
|
393 14F-1 0.07148 0.15842 0.09014 0.12223 -0.01484
|
|
394 14F+2 -0.02337 0.12224 0.02036 0.13635 -0.01278
|
|
395 14F-2 0.04134 -0.04561 0.03353 -0.05526 -0.00029
|
|
396 14F+3 0.05869 -0.02979 0.02856 -0.01048 0.02892
|
|
397 14F-3 -0.00838 -0.00975 -0.01650 0.00561 0.00844
|
|
398 15G 0 -0.00417 0.00094 -0.00914 -0.00061 -0.00046
|
|
399 15G+1 0.00990 0.00010 0.00945 0.00072 -0.00224
|
|
400 15G-1 0.00705 0.00627 0.01041 0.00213 0.00015
|
|
401 15G+2 -0.00486 0.00874 0.00195 0.00802 0.00070
|
|
402 15G-2 -0.00075 -0.00414 -0.00003 -0.00464 0.00005
|
|
403 15G+3 0.00565 -0.00646 0.00111 -0.00572 0.00070
|
|
404 15G-3 -0.00028 -0.00316 -0.00371 -0.00174 0.00130
|
|
405 15G+4 -0.00161 0.00010 -0.00066 0.00132 -0.00007
|
|
406 15G-4 -0.00082 0.00096 0.00015 0.00031 -0.00121
|
|
111 112 113 114 115
|
|
V V V V V
|
|
Eigenvalues -- 2.49675 2.52305 2.53301 2.53534 2.57163
|
|
1 1 C 1S 0.00000 0.00000 0.00981 0.00000 -0.01108
|
|
2 2S 0.00000 0.00000 0.02308 0.00000 0.02040
|
|
3 3S 0.00000 0.00000 0.27729 0.00000 -0.00574
|
|
4 4S 0.00000 0.00000 -3.24178 0.00000 -0.07533
|
|
5 5S 0.00000 0.00000 6.49640 0.00000 0.12937
|
|
6 6S 0.00000 0.00000 0.05609 0.00000 -5.79620
|
|
7 7PX 0.00000 0.00000 0.00160 0.00000 -0.00638
|
|
8 7PY 0.00000 0.00000 0.06322 0.00000 0.04090
|
|
9 7PZ 0.00615 0.02921 0.00000 -0.02647 0.00000
|
|
10 8PX 0.00000 0.00000 -0.07330 0.00000 0.66961
|
|
11 8PY 0.00000 0.00000 0.21590 0.00000 0.03851
|
|
12 8PZ -0.45678 -0.73485 0.00000 -0.65113 0.00000
|
|
13 9PX 0.00000 0.00000 0.73392 0.00000 -6.77234
|
|
14 9PY 0.00000 0.00000 -1.19163 0.00000 -0.38059
|
|
15 9PZ 4.58687 7.62579 0.00000 7.42862 0.00000
|
|
16 10PX 0.00000 0.00000 1.25103 0.00000 -4.75559
|
|
17 10PY 0.00000 0.00000 3.44509 0.00000 4.80014
|
|
18 10PZ 5.10121 7.11325 0.00000 0.87198 0.00000
|
|
19 11PX 0.00000 0.00000 0.27350 0.00000 -0.68143
|
|
20 11PY 0.00000 0.00000 -0.47409 0.00000 0.76949
|
|
21 11PZ -0.16820 0.11623 0.00000 0.26066 0.00000
|
|
22 12D 0 0.00000 0.00000 0.01050 0.00000 0.02504
|
|
23 12D+1 -0.00965 -0.01418 0.00000 -0.02826 0.00000
|
|
24 12D-1 -0.01169 -0.01011 0.00000 -0.02804 0.00000
|
|
25 12D+2 0.00000 0.00000 0.02123 0.00000 0.00215
|
|
26 12D-2 0.00000 0.00000 0.00219 0.00000 0.01241
|
|
27 13D 0 0.00000 0.00000 -0.08162 0.00000 -0.09664
|
|
28 13D+1 0.03198 0.03176 0.00000 0.11442 0.00000
|
|
29 13D-1 0.11591 0.04818 0.00000 0.10381 0.00000
|
|
30 13D+2 0.00000 0.00000 -0.19084 0.00000 -0.01637
|
|
31 13D-2 0.00000 0.00000 -0.03926 0.00000 -0.03644
|
|
32 14D 0 0.00000 0.00000 0.97628 0.00000 -1.37598
|
|
33 14D+1 1.67783 2.34135 0.00000 1.72410 0.00000
|
|
34 14D-1 -0.14071 1.90284 0.00000 1.69399 0.00000
|
|
35 14D+2 0.00000 0.00000 2.21043 0.00000 1.02411
|
|
36 14D-2 0.00000 0.00000 0.97852 0.00000 -1.68278
|
|
37 15D 0 0.00000 0.00000 0.77569 0.00000 -0.03245
|
|
38 15D+1 0.26237 1.27705 0.00000 0.33190 0.00000
|
|
39 15D-1 1.18888 2.15780 0.00000 1.84533 0.00000
|
|
40 15D+2 0.00000 0.00000 1.21891 0.00000 1.75611
|
|
41 15D-2 0.00000 0.00000 0.88249 0.00000 -0.69699
|
|
42 16F 0 -0.02132 0.02663 0.00000 -0.00461 0.00000
|
|
43 16F+1 0.00000 0.00000 -0.06422 0.00000 0.00534
|
|
44 16F-1 0.00000 0.00000 0.00510 0.00000 -0.01075
|
|
45 16F+2 -0.01531 -0.02739 0.00000 0.00107 0.00000
|
|
46 16F-2 0.01520 0.00033 0.00000 0.00886 0.00000
|
|
47 16F+3 0.00000 0.00000 0.02287 0.00000 0.01148
|
|
48 16F-3 0.00000 0.00000 0.02417 0.00000 0.00684
|
|
49 17F 0 0.21188 -0.11589 0.00000 0.09841 0.00000
|
|
50 17F+1 0.00000 0.00000 0.42962 0.00000 -0.07904
|
|
51 17F-1 0.00000 0.00000 -0.01886 0.00000 -0.08171
|
|
52 17F+2 0.16570 0.25915 0.00000 0.03477 0.00000
|
|
53 17F-2 -0.00206 0.20510 0.00000 0.20863 0.00000
|
|
54 17F+3 0.00000 0.00000 -0.14063 0.00000 -0.18465
|
|
55 17F-3 0.00000 0.00000 -0.15925 0.00000 0.08327
|
|
56 18F 0 1.36038 0.73483 0.00000 1.16329 0.00000
|
|
57 18F+1 0.00000 0.00000 -0.65005 0.00000 -0.42024
|
|
58 18F-1 0.00000 0.00000 1.12869 0.00000 -0.70913
|
|
59 18F+2 1.48431 2.24404 0.00000 1.12848 0.00000
|
|
60 18F-2 -0.13320 0.98070 0.00000 1.07039 0.00000
|
|
61 18F+3 0.00000 0.00000 -0.43517 0.00000 -1.25866
|
|
62 18F-3 0.00000 0.00000 1.24307 0.00000 0.37826
|
|
63 19G 0 0.00000 0.00000 0.00749 0.00000 0.00246
|
|
64 19G+1 0.00308 0.00704 0.00000 0.02325 0.00000
|
|
65 19G-1 0.01567 0.02024 0.00000 0.02498 0.00000
|
|
66 19G+2 0.00000 0.00000 0.01022 0.00000 -0.00912
|
|
67 19G-2 0.00000 0.00000 -0.00407 0.00000 -0.01294
|
|
68 19G+3 -0.01626 -0.00493 0.00000 0.00407 0.00000
|
|
69 19G-3 0.01011 0.01231 0.00000 0.02035 0.00000
|
|
70 19G+4 0.00000 0.00000 0.00413 0.00000 0.02526
|
|
71 19G-4 0.00000 0.00000 0.00111 0.00000 -0.01749
|
|
72 20G 0 0.00000 0.00000 -0.04509 0.00000 0.28124
|
|
73 20G+1 0.42005 0.50152 0.00000 0.20748 0.00000
|
|
74 20G-1 0.06832 0.04704 0.00000 0.05044 0.00000
|
|
75 20G+2 0.00000 0.00000 0.06960 0.00000 -0.31192
|
|
76 20G-2 0.00000 0.00000 0.09686 0.00000 -0.01600
|
|
77 20G+3 0.25228 -0.07493 0.00000 -0.17308 0.00000
|
|
78 20G-3 0.05456 0.24390 0.00000 -0.00929 0.00000
|
|
79 20G+4 0.00000 0.00000 0.18751 0.00000 -0.07939
|
|
80 20G-4 0.00000 0.00000 0.08657 0.00000 -0.15841
|
|
81 21H 0 0.00900 -0.00085 0.00000 0.00175 0.00000
|
|
82 21H+1 0.00000 0.00000 0.00531 0.00000 -0.00034
|
|
83 21H-1 0.00000 0.00000 0.01050 0.00000 0.02507
|
|
84 21H+2 0.02999 0.00348 0.00000 -0.01135 0.00000
|
|
85 21H-2 0.01724 0.04217 0.00000 0.01533 0.00000
|
|
86 21H+3 0.00000 0.00000 0.02690 0.00000 -0.00067
|
|
87 21H-3 0.00000 0.00000 0.04004 0.00000 -0.02637
|
|
88 21H+4 0.01207 0.00180 0.00000 -0.00248 0.00000
|
|
89 21H-4 0.01394 -0.00362 0.00000 -0.00732 0.00000
|
|
90 21H+5 0.00000 0.00000 -0.03386 0.00000 0.00658
|
|
91 21H-5 0.00000 0.00000 0.01791 0.00000 0.02257
|
|
92 2 S 1S 0.00000 0.00000 -0.00666 0.00000 0.00065
|
|
93 2S 0.00000 0.00000 0.03699 0.00000 0.00862
|
|
94 3S 0.00000 0.00000 0.04479 0.00000 0.03816
|
|
95 4S 0.00000 0.00000 0.62593 0.00000 0.34310
|
|
96 5S 0.00000 0.00000 -1.59963 0.00000 -3.13649
|
|
97 6S 0.00000 0.00000 -0.44794 0.00000 9.01070
|
|
98 7S 0.00000 0.00000 -1.02854 0.00000 4.71730
|
|
99 8PX 0.00000 0.00000 0.00632 0.00000 -0.01989
|
|
100 8PY 0.00000 0.00000 0.00177 0.00000 -0.01756
|
|
101 8PZ -0.00352 -0.01487 0.00000 -0.00393 0.00000
|
|
102 9PX 0.00000 0.00000 0.00280 0.00000 0.00287
|
|
103 9PY 0.00000 0.00000 0.01433 0.00000 0.03678
|
|
104 9PZ 0.00491 0.03618 0.00000 0.00280 0.00000
|
|
105 10PX 0.00000 0.00000 0.10872 0.00000 -0.24061
|
|
106 10PY 0.00000 0.00000 0.13629 0.00000 0.03723
|
|
107 10PZ -0.00571 0.04372 0.00000 -0.00443 0.00000
|
|
108 11PX 0.00000 0.00000 -0.65594 0.00000 1.13472
|
|
109 11PY 0.00000 0.00000 -0.92986 0.00000 0.22323
|
|
110 11PZ -0.05690 0.04830 0.00000 -0.27152 0.00000
|
|
111 12PX 0.00000 0.00000 -2.57121 0.00000 3.88889
|
|
112 12PY 0.00000 0.00000 3.11127 0.00000 1.20427
|
|
113 12PZ 1.19276 1.37111 0.00000 2.41431 0.00000
|
|
114 13PX 0.00000 0.00000 -0.12717 0.00000 0.34091
|
|
115 13PY 0.00000 0.00000 -0.18027 0.00000 0.42078
|
|
116 13PZ 0.07808 -0.12150 0.00000 0.13958 0.00000
|
|
117 14D 0 0.00000 0.00000 0.22220 0.00000 -1.28467
|
|
118 14D+1 0.71385 0.13744 0.00000 0.87761 0.00000
|
|
119 14D-1 0.48735 0.91826 0.00000 1.35202 0.00000
|
|
120 14D+2 0.00000 0.00000 -1.43323 0.00000 1.16854
|
|
121 14D-2 0.00000 0.00000 0.89281 0.00000 -1.96981
|
|
122 15D 0 0.00000 0.00000 0.28051 0.00000 -0.79489
|
|
123 15D+1 -0.04054 0.22387 0.00000 0.20418 0.00000
|
|
124 15D-1 0.24549 0.29488 0.00000 0.15269 0.00000
|
|
125 15D+2 0.00000 0.00000 -0.20078 0.00000 0.44934
|
|
126 15D-2 0.00000 0.00000 -0.01935 0.00000 -0.52536
|
|
127 16D 0 0.00000 0.00000 -0.03765 0.00000 0.03188
|
|
128 16D+1 -0.06731 0.07533 0.00000 0.02451 0.00000
|
|
129 16D-1 0.03979 0.05326 0.00000 -0.01632 0.00000
|
|
130 16D+2 0.00000 0.00000 -0.01509 0.00000 -0.04164
|
|
131 16D-2 0.00000 0.00000 0.00515 0.00000 0.06565
|
|
132 17D 0 0.00000 0.00000 -0.00642 0.00000 -0.04094
|
|
133 17D+1 -0.00719 0.02711 0.00000 0.02522 0.00000
|
|
134 17D-1 0.02258 0.03493 0.00000 0.01683 0.00000
|
|
135 17D+2 0.00000 0.00000 -0.02010 0.00000 0.00003
|
|
136 17D-2 0.00000 0.00000 -0.00314 0.00000 -0.02651
|
|
137 18F 0 -0.31906 0.40605 0.00000 -1.05611 0.00000
|
|
138 18F+1 0.00000 0.00000 0.26655 0.00000 -0.43612
|
|
139 18F-1 0.00000 0.00000 -0.06984 0.00000 0.96455
|
|
140 18F+2 0.81450 -0.25786 0.00000 0.06759 0.00000
|
|
141 18F-2 0.54701 0.06261 0.00000 -0.75892 0.00000
|
|
142 18F+3 0.00000 0.00000 -0.43525 0.00000 0.93478
|
|
143 18F-3 0.00000 0.00000 0.59954 0.00000 -0.78120
|
|
144 19F 0 -0.23532 -1.37334 0.00000 0.09878 0.00000
|
|
145 19F+1 0.00000 0.00000 0.12760 0.00000 -0.14156
|
|
146 19F-1 0.00000 0.00000 -0.21945 0.00000 -1.16737
|
|
147 19F+2 -1.26028 -0.15302 0.00000 -0.24564 0.00000
|
|
148 19F-2 -0.75918 0.25569 0.00000 1.14316 0.00000
|
|
149 19F+3 0.00000 0.00000 0.32270 0.00000 0.22002
|
|
150 19F-3 0.00000 0.00000 -0.33803 0.00000 -0.11626
|
|
151 20F 0 0.02969 0.16979 0.00000 0.01266 0.00000
|
|
152 20F+1 0.00000 0.00000 -0.00349 0.00000 0.00009
|
|
153 20F-1 0.00000 0.00000 0.04070 0.00000 0.12839
|
|
154 20F+2 0.14004 0.02803 0.00000 0.03585 0.00000
|
|
155 20F-2 0.08691 -0.03341 0.00000 -0.12166 0.00000
|
|
156 20F+3 0.00000 0.00000 -0.05418 0.00000 -0.00421
|
|
157 20F-3 0.00000 0.00000 0.05800 0.00000 0.02945
|
|
158 21G 0 0.00000 0.00000 -0.23690 0.00000 0.29186
|
|
159 21G+1 -0.53923 0.14707 0.00000 -0.71812 0.00000
|
|
160 21G-1 0.10318 -0.32481 0.00000 -0.21929 0.00000
|
|
161 21G+2 0.00000 0.00000 0.28492 0.00000 -0.42383
|
|
162 21G-2 0.00000 0.00000 0.01428 0.00000 0.23601
|
|
163 21G+3 -0.08647 -0.14972 0.00000 0.40125 0.00000
|
|
164 21G-3 -0.19801 0.19089 0.00000 -0.39399 0.00000
|
|
165 21G+4 0.00000 0.00000 -0.06284 0.00000 0.17123
|
|
166 21G-4 0.00000 0.00000 0.15902 0.00000 -0.19857
|
|
167 22G 0 0.00000 0.00000 0.03617 0.00000 -0.01200
|
|
168 22G+1 0.07576 -0.03033 0.00000 0.08210 0.00000
|
|
169 22G-1 -0.02791 0.03194 0.00000 0.02037 0.00000
|
|
170 22G+2 0.00000 0.00000 -0.03816 0.00000 0.03879
|
|
171 22G-2 0.00000 0.00000 -0.00348 0.00000 -0.01764
|
|
172 22G+3 0.01566 0.02515 0.00000 -0.03705 0.00000
|
|
173 22G-3 0.01174 -0.03879 0.00000 0.03716 0.00000
|
|
174 22G+4 0.00000 0.00000 0.01308 0.00000 0.01832
|
|
175 22G-4 0.00000 0.00000 -0.00864 0.00000 -0.00118
|
|
176 23H 0 0.01008 0.01260 0.00000 0.03709 0.00000
|
|
177 23H+1 0.00000 0.00000 0.00556 0.00000 0.01381
|
|
178 23H-1 0.00000 0.00000 0.00288 0.00000 -0.00503
|
|
179 23H+2 -0.00593 0.00238 0.00000 -0.01953 0.00000
|
|
180 23H-2 -0.00515 -0.00887 0.00000 0.00306 0.00000
|
|
181 23H+3 0.00000 0.00000 -0.00482 0.00000 -0.02200
|
|
182 23H-3 0.00000 0.00000 0.00262 0.00000 0.01944
|
|
183 23H+4 0.01092 0.01564 0.00000 0.04723 0.00000
|
|
184 23H-4 -0.00590 -0.00706 0.00000 -0.01861 0.00000
|
|
185 23H+5 0.00000 0.00000 -0.00039 0.00000 0.00767
|
|
186 23H-5 0.00000 0.00000 0.00298 0.00000 -0.02228
|
|
187 3 H 1S 0.00000 0.00000 0.00644 0.00000 -0.01887
|
|
188 2S 0.00000 0.00000 0.01533 0.00000 0.14580
|
|
189 3S 0.00000 0.00000 0.69833 0.00000 -2.95878
|
|
190 4S 0.00000 0.00000 4.36398 0.00000 -5.40676
|
|
191 5S 0.00000 0.00000 -0.41502 0.00000 0.28090
|
|
192 6PX 0.00000 0.00000 -0.00935 0.00000 0.02109
|
|
193 6PY 0.00000 0.00000 -0.00897 0.00000 -0.00318
|
|
194 6PZ -0.00288 -0.01152 0.00000 -0.01960 0.00000
|
|
195 7PX 0.00000 0.00000 0.04828 0.00000 -0.14430
|
|
196 7PY 0.00000 0.00000 0.03969 0.00000 0.02344
|
|
197 7PZ 0.01927 0.05182 0.00000 0.11580 0.00000
|
|
198 8PX 0.00000 0.00000 -0.25862 0.00000 1.29318
|
|
199 8PY 0.00000 0.00000 -0.24846 0.00000 -0.09487
|
|
200 8PZ -0.21335 -0.19602 0.00000 -0.72181 0.00000
|
|
201 9PX 0.00000 0.00000 -2.26200 0.00000 2.84729
|
|
202 9PY 0.00000 0.00000 -0.22968 0.00000 1.25126
|
|
203 9PZ -0.64919 -0.08591 0.00000 -0.87650 0.00000
|
|
204 10D 0 0.00000 0.00000 -0.01755 0.00000 -0.00461
|
|
205 10D+1 -0.00671 0.01912 0.00000 -0.01771 0.00000
|
|
206 10D-1 0.00979 -0.01189 0.00000 -0.00089 0.00000
|
|
207 10D+2 0.00000 0.00000 0.01773 0.00000 -0.01487
|
|
208 10D-2 0.00000 0.00000 0.00398 0.00000 -0.01302
|
|
209 11D 0 0.00000 0.00000 0.09709 0.00000 0.02854
|
|
210 11D+1 0.03565 -0.10526 0.00000 0.08783 0.00000
|
|
211 11D-1 -0.04844 0.06488 0.00000 0.00605 0.00000
|
|
212 11D+2 0.00000 0.00000 -0.10505 0.00000 0.06306
|
|
213 11D-2 0.00000 0.00000 -0.01823 0.00000 0.07616
|
|
214 12D 0 0.00000 0.00000 -0.56298 0.00000 0.38224
|
|
215 12D+1 0.12960 0.47709 0.00000 0.37885 0.00000
|
|
216 12D-1 0.09040 -0.33640 0.00000 0.01470 0.00000
|
|
217 12D+2 0.00000 0.00000 0.68825 0.00000 -1.22703
|
|
218 12D-2 0.00000 0.00000 0.12495 0.00000 -0.47087
|
|
219 13F 0 0.00030 0.00193 0.00000 -0.00623 0.00000
|
|
220 13F+1 0.00000 0.00000 -0.00053 0.00000 0.00099
|
|
221 13F-1 0.00000 0.00000 -0.00022 0.00000 -0.00114
|
|
222 13F+2 0.00296 -0.00109 0.00000 0.00551 0.00000
|
|
223 13F-2 -0.00784 0.00078 0.00000 0.00544 0.00000
|
|
224 13F+3 0.00000 0.00000 0.00537 0.00000 -0.00036
|
|
225 13F-3 0.00000 0.00000 -0.00263 0.00000 -0.00738
|
|
226 14F 0 -0.00012 0.00511 0.00000 0.07371 0.00000
|
|
227 14F+1 0.00000 0.00000 0.01770 0.00000 -0.06280
|
|
228 14F-1 0.00000 0.00000 -0.00020 0.00000 0.00640
|
|
229 14F+2 -0.02134 -0.01101 0.00000 -0.07329 0.00000
|
|
230 14F-2 0.03582 0.01081 0.00000 -0.01946 0.00000
|
|
231 14F+3 0.00000 0.00000 -0.03578 0.00000 0.06575
|
|
232 14F-3 0.00000 0.00000 0.01582 0.00000 0.04038
|
|
233 15G 0 0.00000 0.00000 0.00363 0.00000 -0.00323
|
|
234 15G+1 0.00159 -0.00531 0.00000 0.00063 0.00000
|
|
235 15G-1 -0.00179 0.00190 0.00000 0.00141 0.00000
|
|
236 15G+2 0.00000 0.00000 -0.00373 0.00000 0.00455
|
|
237 15G-2 0.00000 0.00000 0.00143 0.00000 0.00038
|
|
238 15G+3 -0.00143 0.00296 0.00000 -0.00228 0.00000
|
|
239 15G-3 0.00585 -0.00424 0.00000 -0.00246 0.00000
|
|
240 15G+4 0.00000 0.00000 0.00136 0.00000 -0.00508
|
|
241 15G-4 0.00000 0.00000 -0.00131 0.00000 0.00049
|
|
242 4 H 1S 0.00000 0.00000 0.00568 0.00000 0.00031
|
|
243 2S 0.00000 0.00000 -0.28039 0.00000 0.31423
|
|
244 3S 0.00000 0.00000 -1.21678 0.00000 -6.32574
|
|
245 4S 0.00000 0.00000 0.09065 0.00000 -4.57893
|
|
246 5S 0.00000 0.00000 0.42823 0.00000 -0.10591
|
|
247 6PX 0.00000 0.00000 -0.00966 0.00000 -0.00328
|
|
248 6PY 0.00000 0.00000 0.00148 0.00000 -0.00152
|
|
249 6PZ -0.00076 -0.01247 0.00000 0.00287 0.00000
|
|
250 7PX 0.00000 0.00000 0.01599 0.00000 0.07335
|
|
251 7PY 0.00000 0.00000 -0.02958 0.00000 -0.00947
|
|
252 7PZ 0.01032 0.08589 0.00000 -0.00443 0.00000
|
|
253 8PX 0.00000 0.00000 -0.64501 0.00000 -2.50309
|
|
254 8PY 0.00000 0.00000 0.67715 0.00000 0.64413
|
|
255 8PZ -0.17734 -1.01053 0.00000 -0.07996 0.00000
|
|
256 9PX 0.00000 0.00000 0.97144 0.00000 -2.16261
|
|
257 9PY 0.00000 0.00000 0.71926 0.00000 0.56987
|
|
258 9PZ -0.65452 -1.43426 0.00000 -0.15902 0.00000
|
|
259 10D 0 0.00000 0.00000 -0.03295 0.00000 -0.02692
|
|
260 10D+1 0.00677 0.00195 0.00000 0.01278 0.00000
|
|
261 10D-1 -0.00215 0.00994 0.00000 0.02175 0.00000
|
|
262 10D+2 0.00000 0.00000 -0.01094 0.00000 0.01343
|
|
263 10D-2 0.00000 0.00000 -0.00139 0.00000 -0.00251
|
|
264 11D 0 0.00000 0.00000 0.21189 0.00000 0.21083
|
|
265 11D+1 -0.04391 -0.06229 0.00000 -0.08037 0.00000
|
|
266 11D-1 0.00531 -0.04359 0.00000 -0.10601 0.00000
|
|
267 11D+2 0.00000 0.00000 0.03619 0.00000 -0.17178
|
|
268 11D-2 0.00000 0.00000 0.07378 0.00000 0.05970
|
|
269 12D 0 0.00000 0.00000 -1.24518 0.00000 0.07560
|
|
270 12D+1 -0.15386 -1.19375 0.00000 -0.06974 0.00000
|
|
271 12D-1 0.05903 0.79483 0.00000 0.76791 0.00000
|
|
272 12D+2 0.00000 0.00000 0.52292 0.00000 -0.65431
|
|
273 12D-2 0.00000 0.00000 0.89028 0.00000 0.55715
|
|
274 13F 0 -0.00958 -0.00042 0.00000 -0.00089 0.00000
|
|
275 13F+1 0.00000 0.00000 0.01038 0.00000 0.00965
|
|
276 13F-1 0.00000 0.00000 -0.00686 0.00000 -0.00083
|
|
277 13F+2 -0.00794 -0.00571 0.00000 0.00107 0.00000
|
|
278 13F-2 -0.00190 -0.00109 0.00000 -0.00193 0.00000
|
|
279 13F+3 0.00000 0.00000 0.00007 0.00000 -0.00527
|
|
280 13F-3 0.00000 0.00000 0.00061 0.00000 0.00275
|
|
281 14F 0 0.08362 0.13143 0.00000 0.05065 0.00000
|
|
282 14F+1 0.00000 0.00000 -0.11414 0.00000 0.05195
|
|
283 14F-1 0.00000 0.00000 0.00164 0.00000 -0.03030
|
|
284 14F+2 0.02196 -0.09670 0.00000 -0.04455 0.00000
|
|
285 14F-2 0.00927 0.09756 0.00000 0.07249 0.00000
|
|
286 14F+3 0.00000 0.00000 0.15673 0.00000 -0.05898
|
|
287 14F-3 0.00000 0.00000 0.13732 0.00000 0.05680
|
|
288 15G 0 0.00000 0.00000 0.00530 0.00000 -0.00283
|
|
289 15G+1 0.00339 0.01103 0.00000 0.00325 0.00000
|
|
290 15G-1 -0.00101 -0.00318 0.00000 -0.00327 0.00000
|
|
291 15G+2 0.00000 0.00000 -0.00894 0.00000 0.00292
|
|
292 15G-2 0.00000 0.00000 -0.00166 0.00000 -0.00277
|
|
293 15G+3 -0.00006 -0.00580 0.00000 0.00008 0.00000
|
|
294 15G-3 -0.00237 0.00695 0.00000 0.00638 0.00000
|
|
295 15G+4 0.00000 0.00000 0.01518 0.00000 -0.00113
|
|
296 15G-4 0.00000 0.00000 0.00408 0.00000 0.00448
|
|
297 5 H 1S -0.00105 0.00266 0.00530 -0.00183 -0.00537
|
|
298 2S 0.22755 0.32588 -0.22027 0.45623 -0.28476
|
|
299 3S -3.11103 -6.23044 -2.00549 -5.03532 2.38517
|
|
300 4S -4.67239 -6.72152 -2.47092 -3.12681 3.34162
|
|
301 5S 0.30782 0.23280 0.39375 -0.26960 0.27452
|
|
302 6PX -0.00252 -0.01718 0.00666 0.00273 0.00429
|
|
303 6PY 0.02119 0.01510 -0.01132 0.01466 -0.00885
|
|
304 6PZ -0.01283 -0.00006 0.00796 0.00142 0.00674
|
|
305 7PX -0.00111 0.06636 -0.01412 -0.05333 -0.01646
|
|
306 7PY -0.14861 -0.10872 0.04962 -0.10785 0.05938
|
|
307 7PZ 0.04451 -0.03966 -0.02201 -0.07034 0.00471
|
|
308 8PX 0.45856 0.41797 0.41472 1.08573 -0.09260
|
|
309 8PY 1.74633 1.70155 0.14454 1.25972 -0.78114
|
|
310 8PZ 0.41317 1.98229 0.92809 1.68518 -0.87965
|
|
311 9PX 1.22420 1.02031 -0.39774 1.19938 0.11474
|
|
312 9PY 1.59684 1.35500 0.32479 0.59037 -1.49850
|
|
313 9PZ 1.29765 2.47412 0.33125 1.83457 -1.48484
|
|
314 10D 0 0.00147 -0.00564 0.00029 0.00593 -0.01656
|
|
315 10D+1 0.00904 0.02459 0.02099 0.02248 -0.00459
|
|
316 10D-1 0.01219 0.01492 -0.00043 0.01177 0.00825
|
|
317 10D+2 -0.01324 -0.00917 -0.02622 -0.01051 -0.00461
|
|
318 10D-2 0.00632 0.00126 -0.00420 -0.00560 -0.01753
|
|
319 11D 0 -0.01328 -0.03449 -0.04346 -0.06863 0.12858
|
|
320 11D+1 -0.07793 -0.20266 -0.15593 -0.17566 0.03809
|
|
321 11D-1 -0.12708 -0.15416 -0.05713 -0.09740 -0.00998
|
|
322 11D+2 0.08456 0.05362 0.14937 0.04468 0.01416
|
|
323 11D-2 -0.06324 -0.04804 -0.00012 0.00534 0.09124
|
|
324 12D 0 0.38737 -0.71734 0.08155 -0.46042 0.32803
|
|
325 12D+1 -0.03775 0.06852 1.08268 -0.63304 0.00179
|
|
326 12D-1 -1.02046 -0.82593 -0.33936 -0.65089 1.12291
|
|
327 12D+2 0.11087 0.12891 -0.48111 -0.29613 -0.55525
|
|
328 12D-2 -0.66932 -0.53477 -0.16807 -0.83687 -0.41032
|
|
329 13F 0 -0.00336 0.00280 -0.00052 -0.00085 0.00066
|
|
330 13F+1 0.00346 0.00687 0.01278 0.00363 -0.00414
|
|
331 13F-1 0.00261 0.00462 0.00002 0.00374 0.00110
|
|
332 13F+2 -0.00566 -0.00387 -0.00183 -0.00081 0.00328
|
|
333 13F-2 0.00409 0.00481 0.00418 0.00259 -0.00027
|
|
334 13F+3 0.00345 -0.00024 0.00268 -0.00149 -0.00502
|
|
335 13F-3 -0.00076 -0.00128 -0.00489 0.00103 -0.00267
|
|
336 14F 0 -0.07670 0.00491 -0.00796 -0.00186 -0.06840
|
|
337 14F+1 -0.02273 0.03822 -0.14467 0.10389 -0.02039
|
|
338 14F-1 0.08496 0.07780 0.06957 0.03876 -0.12416
|
|
339 14F+2 -0.04442 -0.02270 -0.06738 0.03367 0.06030
|
|
340 14F-2 0.10229 0.06725 0.00090 0.09992 -0.00859
|
|
341 14F+3 -0.08299 -0.04189 -0.03976 -0.01831 0.05053
|
|
342 14F-3 0.01558 0.00577 0.02493 0.02921 0.05776
|
|
343 15G 0 0.00615 -0.00030 -0.00051 0.00294 -0.00045
|
|
344 15G+1 0.00308 -0.00408 0.00985 -0.00460 0.00464
|
|
345 15G-1 -0.00105 -0.00376 -0.00188 -0.00004 0.00752
|
|
346 15G+2 0.00331 0.00183 0.00869 -0.00293 -0.00498
|
|
347 15G-2 -0.00647 -0.00427 0.00205 -0.00656 0.00198
|
|
348 15G+3 0.00489 0.00309 0.00362 0.00303 -0.00378
|
|
349 15G-3 -0.00148 0.00029 0.00199 -0.00518 -0.00548
|
|
350 15G+4 0.00251 0.00055 -0.00013 0.00209 0.00060
|
|
351 15G-4 0.00246 0.00243 0.00054 -0.00094 -0.00237
|
|
352 6 H 1S 0.00105 -0.00266 0.00530 0.00183 -0.00537
|
|
353 2S -0.22755 -0.32588 -0.22027 -0.45623 -0.28476
|
|
354 3S 3.11103 6.23044 -2.00549 5.03532 2.38517
|
|
355 4S 4.67239 6.72152 -2.47092 3.12681 3.34162
|
|
356 5S -0.30782 -0.23280 0.39375 0.26960 0.27452
|
|
357 6PX 0.00252 0.01718 0.00666 -0.00273 0.00429
|
|
358 6PY -0.02119 -0.01510 -0.01132 -0.01466 -0.00885
|
|
359 6PZ -0.01283 -0.00006 -0.00796 0.00142 -0.00674
|
|
360 7PX 0.00111 -0.06636 -0.01412 0.05333 -0.01646
|
|
361 7PY 0.14861 0.10872 0.04962 0.10785 0.05938
|
|
362 7PZ 0.04451 -0.03966 0.02201 -0.07034 -0.00471
|
|
363 8PX -0.45856 -0.41797 0.41472 -1.08573 -0.09260
|
|
364 8PY -1.74633 -1.70155 0.14454 -1.25972 -0.78114
|
|
365 8PZ 0.41317 1.98229 -0.92809 1.68518 0.87965
|
|
366 9PX -1.22420 -1.02031 -0.39774 -1.19938 0.11474
|
|
367 9PY -1.59684 -1.35500 0.32479 -0.59037 -1.49850
|
|
368 9PZ 1.29765 2.47412 -0.33125 1.83457 1.48484
|
|
369 10D 0 -0.00147 0.00564 0.00029 -0.00593 -0.01656
|
|
370 10D+1 0.00904 0.02459 -0.02099 0.02248 0.00459
|
|
371 10D-1 0.01219 0.01492 0.00043 0.01177 -0.00825
|
|
372 10D+2 0.01324 0.00917 -0.02622 0.01051 -0.00461
|
|
373 10D-2 -0.00632 -0.00126 -0.00420 0.00560 -0.01753
|
|
374 11D 0 0.01328 0.03449 -0.04346 0.06863 0.12858
|
|
375 11D+1 -0.07793 -0.20266 0.15593 -0.17566 -0.03809
|
|
376 11D-1 -0.12708 -0.15416 0.05713 -0.09740 0.00998
|
|
377 11D+2 -0.08456 -0.05362 0.14937 -0.04468 0.01416
|
|
378 11D-2 0.06324 0.04804 -0.00012 -0.00534 0.09124
|
|
379 12D 0 -0.38737 0.71734 0.08155 0.46042 0.32803
|
|
380 12D+1 -0.03775 0.06852 -1.08268 -0.63304 -0.00179
|
|
381 12D-1 -1.02046 -0.82593 0.33936 -0.65089 -1.12291
|
|
382 12D+2 -0.11087 -0.12891 -0.48111 0.29613 -0.55525
|
|
383 12D-2 0.66932 0.53477 -0.16807 0.83687 -0.41032
|
|
384 13F 0 -0.00336 0.00280 0.00052 -0.00085 -0.00066
|
|
385 13F+1 -0.00346 -0.00687 0.01278 -0.00363 -0.00414
|
|
386 13F-1 -0.00261 -0.00462 0.00002 -0.00374 0.00110
|
|
387 13F+2 -0.00566 -0.00387 0.00183 -0.00081 -0.00328
|
|
388 13F-2 0.00409 0.00481 -0.00418 0.00259 0.00027
|
|
389 13F+3 -0.00345 0.00024 0.00268 0.00149 -0.00502
|
|
390 13F-3 0.00076 0.00128 -0.00489 -0.00103 -0.00267
|
|
391 14F 0 -0.07670 0.00491 0.00796 -0.00186 0.06840
|
|
392 14F+1 0.02273 -0.03822 -0.14467 -0.10389 -0.02039
|
|
393 14F-1 -0.08496 -0.07780 0.06957 -0.03876 -0.12416
|
|
394 14F+2 -0.04442 -0.02270 0.06738 0.03367 -0.06030
|
|
395 14F-2 0.10229 0.06725 -0.00090 0.09992 0.00859
|
|
396 14F+3 0.08299 0.04189 -0.03976 0.01831 0.05053
|
|
397 14F-3 -0.01558 -0.00577 0.02493 -0.02921 0.05776
|
|
398 15G 0 -0.00615 0.00030 -0.00051 -0.00294 -0.00045
|
|
399 15G+1 0.00308 -0.00408 -0.00985 -0.00460 -0.00464
|
|
400 15G-1 -0.00105 -0.00376 0.00188 -0.00004 -0.00752
|
|
401 15G+2 -0.00331 -0.00183 0.00869 0.00293 -0.00498
|
|
402 15G-2 0.00647 0.00427 0.00205 0.00656 0.00198
|
|
403 15G+3 0.00489 0.00309 -0.00362 0.00303 0.00378
|
|
404 15G-3 -0.00148 0.00029 -0.00199 -0.00518 0.00548
|
|
405 15G+4 -0.00251 -0.00055 -0.00013 -0.00209 0.00060
|
|
406 15G-4 -0.00246 -0.00243 0.00054 0.00094 -0.00237
|
|
116 117 118 119 120
|
|
V V V V V
|
|
Eigenvalues -- 2.59723 2.63441 2.67885 2.74864 2.76619
|
|
1 1 C 1S 0.00000 -0.01949 -0.00937 0.00000 -0.01972
|
|
2 2S 0.00000 -0.01033 -0.00574 0.00000 0.00761
|
|
3 3S 0.00000 -0.31732 -0.07184 0.00000 -0.30946
|
|
4 4S 0.00000 3.74089 -0.71494 0.00000 3.33294
|
|
5 5S 0.00000 -8.07189 9.13698 0.00000 -1.89218
|
|
6 6S 0.00000 -4.09818 -0.90751 0.00000 3.77699
|
|
7 7PX 0.00000 0.04069 -0.02579 0.00000 0.04968
|
|
8 7PY 0.00000 0.01368 0.06044 0.00000 0.08834
|
|
9 7PZ -0.03300 0.00000 0.00000 -0.10404 0.00000
|
|
10 8PX 0.00000 0.23330 -0.39667 0.00000 0.16987
|
|
11 8PY 0.00000 -0.06733 -0.12237 0.00000 -0.00836
|
|
12 8PZ -0.29891 0.00000 0.00000 -0.69366 0.00000
|
|
13 9PX 0.00000 -0.57812 1.25457 0.00000 1.98527
|
|
14 9PY 0.00000 0.38373 1.52505 0.00000 2.98002
|
|
15 9PZ 2.52896 0.00000 0.00000 0.15583 0.00000
|
|
16 10PX 0.00000 -0.56765 5.02926 0.00000 -3.60050
|
|
17 10PY 0.00000 8.32838 10.99380 0.00000 -0.80369
|
|
18 10PZ 1.58071 0.00000 0.00000 9.51789 0.00000
|
|
19 11PX 0.00000 -0.56347 0.30212 0.00000 -0.11617
|
|
20 11PY 0.00000 0.67024 0.85594 0.00000 -0.39477
|
|
21 11PZ 0.20479 0.00000 0.00000 0.67885 0.00000
|
|
22 12D 0 0.00000 0.01118 0.01247 0.00000 -0.01297
|
|
23 12D+1 -0.00825 0.00000 0.00000 0.00502 0.00000
|
|
24 12D-1 -0.01041 0.00000 0.00000 0.00935 0.00000
|
|
25 12D+2 0.00000 0.00913 0.01170 0.00000 -0.00013
|
|
26 12D-2 0.00000 0.00294 0.01237 0.00000 -0.01411
|
|
27 13D 0 0.00000 -0.02857 -0.06953 0.00000 -0.00063
|
|
28 13D+1 0.04056 0.00000 0.00000 -0.02280 0.00000
|
|
29 13D-1 0.04454 0.00000 0.00000 -0.03359 0.00000
|
|
30 13D+2 0.00000 0.00491 -0.02633 0.00000 -0.08038
|
|
31 13D-2 0.00000 0.00502 -0.05166 0.00000 0.05365
|
|
32 14D 0 0.00000 -0.61377 1.81013 0.00000 -0.37963
|
|
33 14D+1 1.10221 0.00000 0.00000 2.36080 0.00000
|
|
34 14D-1 0.70895 0.00000 0.00000 1.99358 0.00000
|
|
35 14D+2 0.00000 -0.02683 -1.15272 0.00000 0.21747
|
|
36 14D-2 0.00000 -0.88393 1.94421 0.00000 -0.40222
|
|
37 15D 0 0.00000 0.44775 3.96884 0.00000 -2.30177
|
|
38 15D+1 0.58131 0.00000 0.00000 4.40191 0.00000
|
|
39 15D-1 1.00255 0.00000 0.00000 1.59123 0.00000
|
|
40 15D+2 0.00000 2.06019 0.51004 0.00000 -0.20904
|
|
41 15D-2 0.00000 -0.62732 2.43484 0.00000 0.86426
|
|
42 16F 0 -0.05251 0.00000 0.00000 0.00458 0.00000
|
|
43 16F+1 0.00000 0.03192 0.01177 0.00000 0.02107
|
|
44 16F-1 0.00000 0.02357 -0.03232 0.00000 0.03404
|
|
45 16F+2 0.04621 0.00000 0.00000 -0.00409 0.00000
|
|
46 16F-2 0.00074 0.00000 0.00000 -0.02829 0.00000
|
|
47 16F+3 0.00000 -0.01806 0.01345 0.00000 -0.00137
|
|
48 16F-3 0.00000 0.00136 0.01639 0.00000 0.03093
|
|
49 17F 0 0.41892 0.00000 0.00000 -0.01053 0.00000
|
|
50 17F+1 0.00000 -0.24423 -0.06753 0.00000 -0.16297
|
|
51 17F-1 0.00000 -0.20707 0.35253 0.00000 -0.21973
|
|
52 17F+2 -0.33500 0.00000 0.00000 0.03865 0.00000
|
|
53 17F-2 0.10341 0.00000 0.00000 0.36123 0.00000
|
|
54 17F+3 0.00000 0.10589 -0.05137 0.00000 0.02928
|
|
55 17F-3 0.00000 0.05983 -0.13103 0.00000 -0.17722
|
|
56 18F 0 1.85643 0.00000 0.00000 -0.93676 0.00000
|
|
57 18F+1 0.00000 -0.58668 0.79215 0.00000 -0.66723
|
|
58 18F-1 0.00000 -0.97849 1.16194 0.00000 -0.58235
|
|
59 18F+2 -0.67347 0.00000 0.00000 -0.53282 0.00000
|
|
60 18F-2 0.26399 0.00000 0.00000 1.79261 0.00000
|
|
61 18F+3 0.00000 0.43134 -0.13719 0.00000 0.91614
|
|
62 18F-3 0.00000 -0.44262 -0.79474 0.00000 0.66716
|
|
63 19G 0 0.00000 0.00948 -0.00207 0.00000 0.00784
|
|
64 19G+1 0.01027 0.00000 0.00000 0.03388 0.00000
|
|
65 19G-1 0.00369 0.00000 0.00000 0.02882 0.00000
|
|
66 19G+2 0.00000 -0.00909 0.02203 0.00000 -0.00458
|
|
67 19G-2 0.00000 -0.00377 -0.00191 0.00000 -0.01616
|
|
68 19G+3 -0.00763 0.00000 0.00000 -0.00230 0.00000
|
|
69 19G-3 0.01719 0.00000 0.00000 0.01944 0.00000
|
|
70 19G+4 0.00000 0.01337 0.00335 0.00000 0.00793
|
|
71 19G-4 0.00000 -0.00847 0.01659 0.00000 -0.00326
|
|
72 20G 0 0.00000 -0.04758 -0.17397 0.00000 -0.08986
|
|
73 20G+1 0.01794 0.00000 0.00000 -0.13127 0.00000
|
|
74 20G-1 0.31246 0.00000 0.00000 -0.02793 0.00000
|
|
75 20G+2 0.00000 0.02027 -0.29392 0.00000 -0.01095
|
|
76 20G-2 0.00000 -0.12346 0.24321 0.00000 -0.06556
|
|
77 20G+3 0.06661 0.00000 0.00000 -0.15162 0.00000
|
|
78 20G-3 -0.32265 0.00000 0.00000 0.06942 0.00000
|
|
79 20G+4 0.00000 -0.21234 -0.15705 0.00000 -0.19485
|
|
80 20G-4 0.00000 -0.01720 0.01031 0.00000 0.00741
|
|
81 21H 0 -0.01365 0.00000 0.00000 -0.04780 0.00000
|
|
82 21H+1 0.00000 -0.01243 0.00867 0.00000 -0.01972
|
|
83 21H-1 0.00000 -0.00339 0.00677 0.00000 -0.01087
|
|
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339 14F+2 0.06920 -0.00721 0.11488 -0.01895 0.00121
|
|
340 14F-2 0.06570 0.00066 -0.06310 -0.01286 0.04025
|
|
341 14F+3 0.03276 0.02788 0.00240 0.01190 0.01625
|
|
342 14F-3 0.04495 -0.00622 -0.00908 0.01416 0.00829
|
|
343 15G 0 0.00901 -0.00104 -0.00247 -0.00266 0.00009
|
|
344 15G+1 0.00108 -0.00244 -0.00298 -0.00258 -0.00481
|
|
345 15G-1 0.00398 -0.00050 0.00280 -0.00066 -0.00291
|
|
346 15G+2 -0.00660 -0.00113 -0.00859 0.00039 -0.00185
|
|
347 15G-2 -0.00373 -0.00251 0.00241 0.00331 -0.00449
|
|
348 15G+3 -0.00289 -0.00133 -0.00456 -0.00040 -0.00050
|
|
349 15G-3 -0.00461 -0.00096 -0.00220 0.00172 -0.00082
|
|
350 15G+4 0.00078 -0.00065 -0.00019 -0.00075 -0.00108
|
|
351 15G-4 -0.00326 -0.00038 -0.00055 -0.00017 0.00041
|
|
352 6 H 1S 0.00084 -0.01138 -0.00321 -0.00884 -0.01478
|
|
353 2S -0.21159 -0.01182 0.23312 -0.50220 -0.19495
|
|
354 3S 2.30157 2.49471 -4.94423 5.19257 2.17450
|
|
355 4S 2.28671 -1.00512 -6.14652 6.15736 -2.02980
|
|
356 5S 0.15154 0.36535 -0.01097 0.17687 -0.01380
|
|
357 6PX -0.01321 -0.00277 0.01037 0.03581 0.01348
|
|
358 6PY -0.00365 0.00387 -0.01268 0.04007 0.00785
|
|
359 6PZ -0.01428 -0.00637 0.01613 -0.02369 -0.04095
|
|
360 7PX 0.09805 0.01554 -0.07015 -0.16998 -0.06428
|
|
361 7PY 0.03477 -0.01870 0.07067 -0.20282 -0.04245
|
|
362 7PZ 0.05390 0.03216 -0.06340 0.07288 0.21863
|
|
363 8PX -1.35142 -0.62322 1.15595 0.46082 -0.02814
|
|
364 8PY -0.52050 -0.30531 -0.29795 0.92453 -0.04212
|
|
365 8PZ 0.01384 0.65673 -0.68255 1.06260 -0.67976
|
|
366 9PX -1.71293 0.40391 1.57477 0.08586 0.22171
|
|
367 9PY -0.27644 -0.25555 -0.81610 -0.51123 0.26211
|
|
368 9PZ 0.51522 -0.67490 -1.95244 1.34811 -1.59500
|
|
369 10D 0 -0.00494 -0.01122 0.00095 -0.02989 -0.01417
|
|
370 10D+1 0.00839 0.01102 -0.00276 0.02119 0.01681
|
|
371 10D-1 0.01086 0.00474 -0.01056 0.01587 0.01346
|
|
372 10D+2 0.00802 -0.00323 -0.00148 -0.01230 -0.00733
|
|
373 10D-2 0.00522 -0.00564 -0.00120 -0.01989 -0.00297
|
|
374 11D 0 0.01598 0.09188 -0.05822 0.25314 0.11094
|
|
375 11D+1 -0.09265 -0.11524 0.08817 -0.19398 -0.14407
|
|
376 11D-1 -0.07608 -0.06669 0.07228 -0.13709 -0.11564
|
|
377 11D+2 -0.02167 0.02384 -0.02283 0.07872 0.04644
|
|
378 11D-2 -0.00604 0.05224 -0.00776 0.12718 0.04441
|
|
379 12D 0 -0.62540 -0.34588 -0.30475 0.00448 -0.97286
|
|
380 12D+1 -0.81536 0.27054 0.64831 0.53037 0.69671
|
|
381 12D-1 0.04087 0.04811 -0.85615 0.68587 0.71560
|
|
382 12D+2 0.65472 -0.08065 -0.59951 -0.33981 -0.19901
|
|
383 12D-2 0.74875 -0.03296 0.12831 -0.86916 -0.19137
|
|
384 13F 0 -0.00462 -0.00246 0.00024 0.00815 0.00099
|
|
385 13F+1 0.00011 -0.00724 0.00819 -0.00853 -0.00162
|
|
386 13F-1 -0.00097 0.00015 0.00184 -0.00557 0.00020
|
|
387 13F+2 0.00339 -0.00058 -0.00113 0.00567 0.00038
|
|
388 13F-2 0.00222 0.00370 -0.00782 -0.00061 0.00729
|
|
389 13F+3 0.00284 -0.00323 0.00689 0.00019 -0.00156
|
|
390 13F-3 -0.00047 -0.00086 0.00472 0.00357 -0.00259
|
|
391 14F 0 -0.09571 0.00029 -0.03273 0.06023 -0.04611
|
|
392 14F+1 -0.07024 0.02966 0.04628 -0.01950 0.03141
|
|
393 14F-1 0.01382 -0.01875 -0.06627 0.00494 0.01611
|
|
394 14F+2 0.06920 0.00721 -0.11488 -0.01895 -0.00121
|
|
395 14F-2 0.06570 -0.00066 0.06310 -0.01286 -0.04025
|
|
396 14F+3 -0.03276 0.02788 0.00240 -0.01190 0.01625
|
|
397 14F-3 -0.04495 -0.00622 -0.00908 -0.01416 0.00829
|
|
398 15G 0 -0.00901 -0.00104 -0.00247 0.00266 0.00009
|
|
399 15G+1 0.00108 0.00244 0.00298 -0.00258 0.00481
|
|
400 15G-1 0.00398 0.00050 -0.00280 -0.00066 0.00291
|
|
401 15G+2 0.00660 -0.00113 -0.00859 -0.00039 -0.00185
|
|
402 15G-2 0.00373 -0.00251 0.00241 -0.00331 -0.00449
|
|
403 15G+3 -0.00289 0.00133 0.00456 -0.00040 0.00050
|
|
404 15G-3 -0.00461 0.00096 0.00220 0.00172 0.00082
|
|
405 15G+4 -0.00078 -0.00065 -0.00019 0.00075 -0.00108
|
|
406 15G-4 0.00326 -0.00038 -0.00055 0.00017 0.00041
|
|
121 122 123 124 125
|
|
V V V V V
|
|
Eigenvalues -- 2.77813 2.81811 2.83053 2.84770 2.85689
|
|
1 1 C 1S 0.02646 0.01128 0.00000 -0.01745 0.00000
|
|
2 2S 0.00698 -0.07477 0.00000 0.05814 0.00000
|
|
3 3S 0.54224 -0.23594 0.00000 0.08911 0.00000
|
|
4 4S -8.20961 2.56101 0.00000 -1.99440 0.00000
|
|
5 5S 23.14026 -6.63091 0.00000 9.50628 0.00000
|
|
6 6S 1.59389 -4.96660 0.00000 3.66244 0.00000
|
|
7 7PX 0.05705 0.00835 0.00000 -0.05031 0.00000
|
|
8 7PY 0.01308 0.01317 0.00000 0.03507 0.00000
|
|
9 7PZ 0.00000 0.00000 -0.04850 0.00000 0.00117
|
|
10 8PX 0.30971 -0.06653 0.00000 -0.08610 0.00000
|
|
11 8PY -0.04430 0.04089 0.00000 -0.07433 0.00000
|
|
12 8PZ 0.00000 0.00000 -0.27923 0.00000 -0.00099
|
|
13 9PX 0.74579 1.52199 0.00000 -1.85064 0.00000
|
|
14 9PY 0.11706 -1.15799 0.00000 2.14430 0.00000
|
|
15 9PZ 0.00000 0.00000 1.38994 0.00000 -1.76607
|
|
16 10PX -5.92396 -2.26563 0.00000 -0.21780 0.00000
|
|
17 10PY 1.04077 8.35231 0.00000 -4.39387 0.00000
|
|
18 10PZ 0.00000 0.00000 -1.56571 0.00000 0.79384
|
|
19 11PX -0.20790 0.52421 0.00000 0.28276 0.00000
|
|
20 11PY -0.10434 1.26327 0.00000 -0.93246 0.00000
|
|
21 11PZ 0.00000 0.00000 0.48426 0.00000 -0.39954
|
|
22 12D 0 -0.00639 0.00596 0.00000 -0.00450 0.00000
|
|
23 12D+1 0.00000 0.00000 -0.01360 0.00000 0.01284
|
|
24 12D-1 0.00000 0.00000 -0.01170 0.00000 0.02265
|
|
25 12D+2 0.00172 0.03115 0.00000 -0.01670 0.00000
|
|
26 12D-2 -0.00321 -0.00455 0.00000 0.00864 0.00000
|
|
27 13D 0 0.05244 -0.01807 0.00000 0.03232 0.00000
|
|
28 13D+1 0.00000 0.00000 0.08284 0.00000 -0.06118
|
|
29 13D-1 0.00000 0.00000 0.10906 0.00000 -0.09209
|
|
30 13D+2 0.03963 -0.16460 0.00000 0.02691 0.00000
|
|
31 13D-2 0.02712 0.07944 0.00000 0.02300 0.00000
|
|
32 14D 0 -1.33536 0.15042 0.00000 -0.59730 0.00000
|
|
33 14D+1 0.00000 0.00000 -0.40534 0.00000 0.15798
|
|
34 14D-1 0.00000 0.00000 -1.58050 0.00000 0.52461
|
|
35 14D+2 0.39298 1.43847 0.00000 -0.01698 0.00000
|
|
36 14D-2 -0.90326 -1.09494 0.00000 -1.50627 0.00000
|
|
37 15D 0 -2.19741 1.02990 0.00000 -0.09347 0.00000
|
|
38 15D+1 0.00000 0.00000 -0.37187 0.00000 2.40431
|
|
39 15D-1 0.00000 0.00000 0.60574 0.00000 1.34298
|
|
40 15D+2 1.75871 3.14746 0.00000 -2.54978 0.00000
|
|
41 15D-2 0.42137 1.17136 0.00000 0.36893 0.00000
|
|
42 16F 0 0.00000 0.00000 -0.02255 0.00000 0.00483
|
|
43 16F+1 -0.04637 -0.00130 0.00000 -0.01376 0.00000
|
|
44 16F-1 -0.03295 0.04416 0.00000 0.01315 0.00000
|
|
45 16F+2 0.00000 0.00000 -0.03625 0.00000 0.01946
|
|
46 16F-2 0.00000 0.00000 0.04476 0.00000 -0.01443
|
|
47 16F+3 0.01352 -0.01438 0.00000 -0.01784 0.00000
|
|
48 16F-3 -0.07442 0.00543 0.00000 -0.03385 0.00000
|
|
49 17F 0 0.00000 0.00000 0.17556 0.00000 -0.06404
|
|
50 17F+1 0.37855 0.03369 0.00000 0.10096 0.00000
|
|
51 17F-1 0.18603 -0.27365 0.00000 -0.13268 0.00000
|
|
52 17F+2 0.00000 0.00000 0.26734 0.00000 -0.18159
|
|
53 17F-2 0.00000 0.00000 -0.28073 0.00000 0.07052
|
|
54 17F+3 -0.13861 0.11453 0.00000 0.08021 0.00000
|
|
55 17F-3 0.57747 0.04285 0.00000 0.26933 0.00000
|
|
56 18F 0 0.00000 0.00000 1.21076 0.00000 1.63661
|
|
57 18F+1 2.58817 0.10259 0.00000 0.99782 0.00000
|
|
58 18F-1 0.07930 -1.61152 0.00000 0.04509 0.00000
|
|
59 18F+2 0.00000 0.00000 2.00274 0.00000 0.09181
|
|
60 18F-2 0.00000 0.00000 -0.58884 0.00000 -0.49220
|
|
61 18F+3 0.32687 1.95023 0.00000 1.29796 0.00000
|
|
62 18F-3 2.19136 0.10664 0.00000 1.62151 0.00000
|
|
63 19G 0 0.01179 0.00352 0.00000 -0.00766 0.00000
|
|
64 19G+1 0.00000 0.00000 0.00108 0.00000 -0.00590
|
|
65 19G-1 0.00000 0.00000 0.02185 0.00000 0.00704
|
|
66 19G+2 -0.01274 0.00153 0.00000 -0.00548 0.00000
|
|
67 19G-2 -0.00667 0.01033 0.00000 0.00191 0.00000
|
|
68 19G+3 0.00000 0.00000 -0.00723 0.00000 -0.00119
|
|
69 19G-3 0.00000 0.00000 0.01751 0.00000 0.00696
|
|
70 19G+4 0.01539 0.01757 0.00000 0.00186 0.00000
|
|
71 19G-4 -0.00420 0.01133 0.00000 0.02454 0.00000
|
|
72 20G 0 -0.07195 0.02401 0.00000 0.08601 0.00000
|
|
73 20G+1 0.00000 0.00000 0.33992 0.00000 0.03060
|
|
74 20G-1 0.00000 0.00000 -0.14615 0.00000 0.02691
|
|
75 20G+2 0.04978 0.22788 0.00000 0.12833 0.00000
|
|
76 20G-2 0.52604 -0.11817 0.00000 0.09643 0.00000
|
|
77 20G+3 0.00000 0.00000 0.23452 0.00000 0.00863
|
|
78 20G-3 0.00000 0.00000 -0.07747 0.00000 -0.11687
|
|
79 20G+4 -0.18388 -0.29905 0.00000 -0.23369 0.00000
|
|
80 20G-4 -0.34127 -0.11469 0.00000 -0.34611 0.00000
|
|
81 21H 0 0.00000 0.00000 0.01561 0.00000 -0.01944
|
|
82 21H+1 -0.03134 0.00941 0.00000 0.00183 0.00000
|
|
83 21H-1 -0.00261 0.01166 0.00000 0.00237 0.00000
|
|
84 21H+2 0.00000 0.00000 0.02190 0.00000 -0.00317
|
|
85 21H-2 0.00000 0.00000 0.00404 0.00000 0.01530
|
|
86 21H+3 -0.00929 0.02282 0.00000 -0.01396 0.00000
|
|
87 21H-3 -0.00228 0.01372 0.00000 -0.01087 0.00000
|
|
88 21H+4 0.00000 0.00000 0.01761 0.00000 -0.00878
|
|
89 21H-4 0.00000 0.00000 0.00209 0.00000 -0.00115
|
|
90 21H+5 0.03035 0.02018 0.00000 0.02899 0.00000
|
|
91 21H-5 0.03206 0.02973 0.00000 0.00296 0.00000
|
|
92 2 S 1S 0.02227 -0.02196 0.00000 0.00290 0.00000
|
|
93 2S -0.06516 0.07873 0.00000 -0.01054 0.00000
|
|
94 3S 0.02473 0.03507 0.00000 -0.00312 0.00000
|
|
95 4S -1.01753 1.58229 0.00000 -0.24519 0.00000
|
|
96 5S 4.95949 -8.14118 0.00000 2.37641 0.00000
|
|
97 6S -5.11805 11.73560 0.00000 -6.09254 0.00000
|
|
98 7S -5.69414 10.07286 0.00000 -4.21348 0.00000
|
|
99 8PX 0.01028 0.00524 0.00000 0.03679 0.00000
|
|
100 8PY -0.01244 -0.01409 0.00000 -0.00440 0.00000
|
|
101 8PZ 0.00000 0.00000 0.02416 0.00000 0.01092
|
|
102 9PX -0.00784 -0.05460 0.00000 -0.08203 0.00000
|
|
103 9PY 0.01048 0.02944 0.00000 0.00981 0.00000
|
|
104 9PZ 0.00000 0.00000 -0.08067 0.00000 -0.02029
|
|
105 10PX 0.07828 -0.15448 0.00000 0.01489 0.00000
|
|
106 10PY -0.14021 0.06181 0.00000 -0.01451 0.00000
|
|
107 10PZ 0.00000 0.00000 -0.17017 0.00000 0.01139
|
|
108 11PX -0.37316 -1.51750 0.00000 -1.34766 0.00000
|
|
109 11PY 1.74862 -0.53371 0.00000 0.57115 0.00000
|
|
110 11PZ 0.00000 0.00000 -0.29258 0.00000 -0.15970
|
|
111 12PX 0.12552 8.18613 0.00000 1.10982 0.00000
|
|
112 12PY -7.37889 7.97878 0.00000 -5.88668 0.00000
|
|
113 12PZ 0.00000 0.00000 1.22099 0.00000 -0.72375
|
|
114 13PX -0.00543 0.69369 0.00000 0.54550 0.00000
|
|
115 13PY -1.04198 1.37226 0.00000 -1.12292 0.00000
|
|
116 13PZ 0.00000 0.00000 0.27937 0.00000 0.18199
|
|
117 14D 0 2.96223 -3.71259 0.00000 0.97986 0.00000
|
|
118 14D+1 0.00000 0.00000 -0.42237 0.00000 -2.22149
|
|
119 14D-1 0.00000 0.00000 2.27206 0.00000 1.03776
|
|
120 14D+2 3.51197 0.35297 0.00000 2.54578 0.00000
|
|
121 14D-2 1.77752 1.61991 0.00000 1.31610 0.00000
|
|
122 15D 0 0.07625 -0.44618 0.00000 0.51314 0.00000
|
|
123 15D+1 0.00000 0.00000 -0.27515 0.00000 -0.43575
|
|
124 15D-1 0.00000 0.00000 0.04052 0.00000 0.17888
|
|
125 15D+2 -0.33876 -0.20888 0.00000 -0.48359 0.00000
|
|
126 15D-2 -0.10092 -0.10788 0.00000 0.13188 0.00000
|
|
127 16D 0 -0.01889 -0.03127 0.00000 0.00582 0.00000
|
|
128 16D+1 0.00000 0.00000 -0.06768 0.00000 -0.18883
|
|
129 16D-1 0.00000 0.00000 -0.16965 0.00000 0.14653
|
|
130 16D+2 0.13344 -0.07536 0.00000 0.11975 0.00000
|
|
131 16D-2 -0.05318 -0.04712 0.00000 -0.06474 0.00000
|
|
132 17D 0 0.02039 -0.06680 0.00000 0.02556 0.00000
|
|
133 17D+1 0.00000 0.00000 -0.03324 0.00000 -0.06577
|
|
134 17D-1 0.00000 0.00000 -0.01539 0.00000 0.04406
|
|
135 17D+2 0.02518 -0.01095 0.00000 0.00625 0.00000
|
|
136 17D-2 -0.00646 -0.01482 0.00000 0.00013 0.00000
|
|
137 18F 0 0.00000 0.00000 -0.83995 0.00000 0.17980
|
|
138 18F+1 -0.22593 -1.56271 0.00000 -0.66841 0.00000
|
|
139 18F-1 1.29832 -0.35938 0.00000 0.24691 0.00000
|
|
140 18F+2 0.00000 0.00000 -1.77893 0.00000 -0.72654
|
|
141 18F-2 0.00000 0.00000 0.41844 0.00000 -0.84901
|
|
142 18F+3 -0.99650 0.24780 0.00000 -0.77259 0.00000
|
|
143 18F-3 2.11626 -0.30776 0.00000 0.00632 0.00000
|
|
144 19F 0 0.00000 0.00000 0.60139 0.00000 0.48281
|
|
145 19F+1 0.15044 -0.09099 0.00000 0.56023 0.00000
|
|
146 19F-1 0.14321 -0.48270 0.00000 0.11915 0.00000
|
|
147 19F+2 0.00000 0.00000 0.24126 0.00000 -1.35756
|
|
148 19F-2 0.00000 0.00000 -0.14336 0.00000 0.67720
|
|
149 19F+3 -0.08772 0.42218 0.00000 -0.25113 0.00000
|
|
150 19F-3 -0.13972 -0.99844 0.00000 0.76710 0.00000
|
|
151 20F 0 0.00000 0.00000 -0.06841 0.00000 -0.05611
|
|
152 20F+1 -0.01310 0.03759 0.00000 -0.04408 0.00000
|
|
153 20F-1 -0.05247 0.07158 0.00000 -0.01935 0.00000
|
|
154 20F+2 0.00000 0.00000 -0.00798 0.00000 0.18254
|
|
155 20F-2 0.00000 0.00000 0.02281 0.00000 -0.08297
|
|
156 20F+3 0.01917 -0.06990 0.00000 0.01830 0.00000
|
|
157 20F-3 -0.03517 0.14260 0.00000 -0.07304 0.00000
|
|
158 21G 0 -0.34751 0.63526 0.00000 -0.04985 0.00000
|
|
159 21G+1 0.00000 0.00000 0.40821 0.00000 1.10033
|
|
160 21G-1 0.00000 0.00000 -0.77076 0.00000 -0.58655
|
|
161 21G+2 -0.48847 -0.52210 0.00000 0.07753 0.00000
|
|
162 21G-2 -0.66782 -0.14327 0.00000 -0.46579 0.00000
|
|
163 21G+3 0.00000 0.00000 -0.71048 0.00000 0.02639
|
|
164 21G-3 0.00000 0.00000 -0.49925 0.00000 0.13894
|
|
165 21G+4 -0.86515 0.76196 0.00000 0.16275 0.00000
|
|
166 21G-4 0.08144 -0.64471 0.00000 -0.77206 0.00000
|
|
167 22G 0 0.02240 -0.03281 0.00000 -0.01546 0.00000
|
|
168 22G+1 0.00000 0.00000 -0.01990 0.00000 -0.08570
|
|
169 22G-1 0.00000 0.00000 0.07781 0.00000 0.06413
|
|
170 22G+2 0.07552 0.03360 0.00000 0.01024 0.00000
|
|
171 22G-2 0.08205 0.02521 0.00000 0.04806 0.00000
|
|
172 22G+3 0.00000 0.00000 0.06793 0.00000 -0.05250
|
|
173 22G-3 0.00000 0.00000 0.05486 0.00000 -0.00470
|
|
174 22G+4 0.05983 -0.02033 0.00000 -0.05217 0.00000
|
|
175 22G-4 -0.01395 0.02368 0.00000 0.08961 0.00000
|
|
176 23H 0 0.00000 0.00000 -0.02029 0.00000 -0.05224
|
|
177 23H+1 -0.01855 0.06281 0.00000 -0.01517 0.00000
|
|
178 23H-1 -0.03740 0.01743 0.00000 -0.00279 0.00000
|
|
179 23H+2 0.00000 0.00000 0.05058 0.00000 0.08277
|
|
180 23H-2 0.00000 0.00000 -0.00851 0.00000 -0.02412
|
|
181 23H+3 0.02009 -0.05150 0.00000 0.01429 0.00000
|
|
182 23H-3 -0.04488 0.04721 0.00000 -0.01873 0.00000
|
|
183 23H+4 0.00000 0.00000 -0.02593 0.00000 -0.03554
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184 23H-4 0.00000 0.00000 0.01649 0.00000 0.02531
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185 23H+5 -0.02264 0.08025 0.00000 0.01214 0.00000
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186 23H-5 -0.03614 -0.01809 0.00000 -0.01675 0.00000
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187 3 H 1S -0.00625 -0.00265 0.00000 0.01075 0.00000
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188 2S -0.23744 0.57255 0.00000 0.08865 0.00000
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189 3S 1.45489 -5.94104 0.00000 0.07965 0.00000
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190 4S 1.15786 -3.34444 0.00000 0.85674 0.00000
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191 5S 0.23335 -0.35373 0.00000 -0.57201 0.00000
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192 6PX 0.01185 -0.02157 0.00000 -0.03094 0.00000
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193 6PY -0.00501 -0.00336 0.00000 0.00127 0.00000
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194 6PZ 0.00000 0.00000 0.02358 0.00000 0.05421
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195 7PX -0.03605 0.04571 0.00000 0.18585 0.00000
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196 7PY 0.03083 0.01885 0.00000 -0.01247 0.00000
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197 7PZ 0.00000 0.00000 -0.13737 0.00000 -0.29303
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198 8PX -0.35970 1.24470 0.00000 -1.14970 0.00000
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199 8PY -0.13376 -0.41656 0.00000 0.13384 0.00000
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200 8PZ 0.00000 0.00000 0.81956 0.00000 1.79517
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201 9PX -0.51951 0.52253 0.00000 -0.35258 0.00000
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202 9PY 0.20629 -0.52137 0.00000 0.26879 0.00000
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203 9PZ 0.00000 0.00000 0.59068 0.00000 1.47635
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204 10D 0 0.00561 -0.02502 0.00000 -0.00378 0.00000
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205 10D+1 0.00000 0.00000 0.01215 0.00000 -0.00802
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206 10D-1 0.00000 0.00000 -0.00390 0.00000 0.00186
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207 10D+2 -0.02816 0.04321 0.00000 -0.01104 0.00000
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208 10D-2 -0.00973 -0.00883 0.00000 0.00853 0.00000
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209 11D 0 -0.04808 0.18113 0.00000 0.02108 0.00000
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210 11D+1 0.00000 0.00000 -0.05549 0.00000 0.06760
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211 11D-1 0.00000 0.00000 0.01570 0.00000 -0.00989
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212 11D+2 0.16832 -0.31512 0.00000 0.05828 0.00000
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213 11D-2 0.04583 0.06974 0.00000 -0.04793 0.00000
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214 12D 0 0.03318 -0.34800 0.00000 -0.46801 0.00000
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215 12D+1 0.00000 0.00000 -0.46958 0.00000 -1.69387
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216 12D-1 0.00000 0.00000 0.03050 0.00000 0.19857
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|
217 12D+2 -0.24991 0.76417 0.00000 0.33855 0.00000
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218 12D-2 -0.33641 -0.14706 0.00000 -0.10418 0.00000
|
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219 13F 0 0.00000 0.00000 0.01250 0.00000 0.00146
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|
220 13F+1 0.00108 -0.00536 0.00000 0.00260 0.00000
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|
221 13F-1 0.00142 0.00212 0.00000 0.00894 0.00000
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222 13F+2 0.00000 0.00000 -0.00047 0.00000 -0.01305
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223 13F-2 0.00000 0.00000 0.00578 0.00000 0.00200
|
|
224 13F+3 0.00335 0.01259 0.00000 -0.00257 0.00000
|
|
225 13F-3 -0.00186 -0.00666 0.00000 -0.00216 0.00000
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|
226 14F 0 0.00000 0.00000 -0.12265 0.00000 -0.11513
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227 14F+1 0.00194 -0.00565 0.00000 0.04817 0.00000
|
|
228 14F-1 -0.00992 -0.00984 0.00000 -0.05870 0.00000
|
|
229 14F+2 0.00000 0.00000 0.05848 0.00000 0.21516
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|
230 14F-2 0.00000 0.00000 -0.06368 0.00000 -0.03686
|
|
231 14F+3 -0.05704 -0.02867 0.00000 -0.04156 0.00000
|
|
232 14F-3 0.05181 0.03868 0.00000 0.03451 0.00000
|
|
233 15G 0 -0.00141 0.00232 0.00000 0.00435 0.00000
|
|
234 15G+1 0.00000 0.00000 0.00212 0.00000 0.01289
|
|
235 15G-1 0.00000 0.00000 -0.00120 0.00000 -0.00107
|
|
236 15G+2 0.00148 -0.00267 0.00000 -0.00534 0.00000
|
|
237 15G-2 -0.00019 0.00087 0.00000 -0.00105 0.00000
|
|
238 15G+3 0.00000 0.00000 -0.00134 0.00000 -0.00945
|
|
239 15G-3 0.00000 0.00000 0.00295 0.00000 0.00077
|
|
240 15G+4 -0.00219 0.00112 0.00000 0.00101 0.00000
|
|
241 15G-4 -0.00493 -0.00265 0.00000 0.00298 0.00000
|
|
242 4 H 1S 0.01325 0.00419 0.00000 -0.00884 0.00000
|
|
243 2S 0.26241 0.31255 0.00000 -0.17863 0.00000
|
|
244 3S -8.93862 -0.02134 0.00000 -3.04145 0.00000
|
|
245 4S -3.64669 -1.36259 0.00000 -0.01617 0.00000
|
|
246 5S 0.18279 0.32887 0.00000 0.52826 0.00000
|
|
247 6PX 0.03261 0.02239 0.00000 -0.05038 0.00000
|
|
248 6PY -0.03078 -0.03122 0.00000 -0.01946 0.00000
|
|
249 6PZ 0.00000 0.00000 -0.00938 0.00000 0.01571
|
|
250 7PX -0.14746 -0.10845 0.00000 0.27263 0.00000
|
|
251 7PY 0.17815 0.17359 0.00000 0.12264 0.00000
|
|
252 7PZ 0.00000 0.00000 0.06038 0.00000 -0.08823
|
|
253 8PX -1.95918 0.46953 0.00000 -2.86094 0.00000
|
|
254 8PY -0.97100 -1.68924 0.00000 -1.22827 0.00000
|
|
255 8PZ 0.00000 0.00000 -0.63742 0.00000 0.67381
|
|
256 9PX -0.52375 -0.68026 0.00000 -1.14850 0.00000
|
|
257 9PY -1.23255 -0.48675 0.00000 -1.68173 0.00000
|
|
258 9PZ 0.00000 0.00000 -0.86506 0.00000 1.15851
|
|
259 10D 0 -0.01595 -0.00227 0.00000 0.00112 0.00000
|
|
260 10D+1 0.00000 0.00000 0.00347 0.00000 -0.00222
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|
261 10D-1 0.00000 0.00000 0.01260 0.00000 -0.01409
|
|
262 10D+2 0.03544 0.00273 0.00000 -0.01195 0.00000
|
|
263 10D-2 -0.01533 0.00699 0.00000 0.00806 0.00000
|
|
264 11D 0 0.19069 0.01349 0.00000 0.01218 0.00000
|
|
265 11D+1 0.00000 0.00000 -0.03743 0.00000 0.01986
|
|
266 11D-1 0.00000 0.00000 -0.06579 0.00000 0.07939
|
|
267 11D+2 -0.38642 -0.05447 0.00000 -0.00944 0.00000
|
|
268 11D-2 0.12959 -0.06568 0.00000 -0.06492 0.00000
|
|
269 12D 0 -0.43723 -0.11687 0.00000 0.46431 0.00000
|
|
270 12D+1 0.00000 0.00000 -0.63603 0.00000 0.43571
|
|
271 12D-1 0.00000 0.00000 0.52747 0.00000 -0.55117
|
|
272 12D+2 0.26327 -0.29312 0.00000 -1.82876 0.00000
|
|
273 12D-2 -1.88027 -0.91756 0.00000 -1.06572 0.00000
|
|
274 13F 0 0.00000 0.00000 -0.00187 0.00000 0.00097
|
|
275 13F+1 0.00956 -0.00259 0.00000 0.00418 0.00000
|
|
276 13F-1 -0.00269 0.00232 0.00000 0.00476 0.00000
|
|
277 13F+2 0.00000 0.00000 -0.00348 0.00000 0.00589
|
|
278 13F-2 0.00000 0.00000 0.00219 0.00000 0.00181
|
|
279 13F+3 -0.01704 -0.00541 0.00000 -0.00928 0.00000
|
|
280 13F-3 0.00919 -0.00015 0.00000 0.00745 0.00000
|
|
281 14F 0 0.00000 0.00000 0.07919 0.00000 -0.04133
|
|
282 14F+1 -0.01225 -0.00276 0.00000 0.01920 0.00000
|
|
283 14F-1 0.06604 0.02538 0.00000 0.01939 0.00000
|
|
284 14F+2 0.00000 0.00000 -0.04693 0.00000 0.00693
|
|
285 14F-2 0.00000 0.00000 0.02151 0.00000 -0.04373
|
|
286 14F+3 -0.07883 -0.05665 0.00000 -0.16375 0.00000
|
|
287 14F-3 -0.16842 -0.10029 0.00000 -0.17354 0.00000
|
|
288 15G 0 0.00361 0.00198 0.00000 -0.00013 0.00000
|
|
289 15G+1 0.00000 0.00000 0.00718 0.00000 -0.00282
|
|
290 15G-1 0.00000 0.00000 -0.00204 0.00000 0.00275
|
|
291 15G+2 -0.00129 -0.00200 0.00000 0.00213 0.00000
|
|
292 15G-2 0.00766 0.00388 0.00000 0.00438 0.00000
|
|
293 15G+3 0.00000 0.00000 -0.00219 0.00000 0.00033
|
|
294 15G-3 0.00000 0.00000 0.00274 0.00000 -0.00372
|
|
295 15G+4 -0.00618 -0.00592 0.00000 -0.01503 0.00000
|
|
296 15G-4 -0.00993 -0.00231 0.00000 -0.00456 0.00000
|
|
297 5 H 1S 0.00674 0.00103 0.00235 -0.00475 0.00223
|
|
298 2S -0.13113 0.28489 0.11867 -0.20953 -0.03520
|
|
299 3S -4.48131 1.41016 0.46609 -1.11858 -0.68158
|
|
300 4S 1.63357 -1.06971 0.11349 -0.23753 -0.34666
|
|
301 5S 0.05609 -0.46057 -0.51668 0.13769 0.36548
|
|
302 6PX -0.01472 -0.01788 -0.00946 0.00567 0.00646
|
|
303 6PY 0.01486 0.00902 0.02246 0.01072 0.00713
|
|
304 6PZ 0.00635 -0.01823 -0.01553 0.01209 -0.02143
|
|
305 7PX 0.09650 0.10093 0.04183 -0.02573 -0.03138
|
|
306 7PY -0.06722 -0.07013 -0.14187 -0.05556 -0.02938
|
|
307 7PZ -0.01976 0.08531 0.07439 -0.05941 0.12578
|
|
308 8PX -0.07473 -1.00678 -0.40232 0.10145 0.46289
|
|
309 8PY 0.91572 0.57188 1.46489 0.59561 0.32763
|
|
310 8PZ 1.48564 -0.94533 -0.82358 0.48822 -0.80610
|
|
311 9PX -0.83944 -0.51066 0.08061 -0.16773 -0.50041
|
|
312 9PY -1.17700 0.72985 1.41097 0.18670 -0.53477
|
|
313 9PZ 0.22315 0.87343 -0.43031 -0.40981 -0.51009
|
|
314 10D 0 0.00099 -0.00297 0.00611 0.00039 -0.00888
|
|
315 10D+1 0.00511 0.00103 0.00806 -0.00080 0.00640
|
|
316 10D-1 -0.00083 -0.00241 0.00843 0.00520 0.00439
|
|
317 10D+2 -0.00848 -0.01098 0.00356 0.00341 -0.00508
|
|
318 10D-2 0.00510 0.00447 -0.00291 -0.00100 0.00241
|
|
319 11D 0 -0.08301 0.03849 0.00190 -0.00804 0.03494
|
|
320 11D+1 -0.09212 0.02523 -0.02638 -0.00110 -0.05938
|
|
321 11D-1 -0.04436 0.01162 -0.06224 -0.03468 -0.03421
|
|
322 11D+2 0.04119 0.07770 0.00767 -0.01066 0.01826
|
|
323 11D-2 -0.04585 -0.02211 0.00571 -0.00281 -0.02096
|
|
324 12D 0 -0.40467 -0.06099 0.88485 0.08017 0.28947
|
|
325 12D+1 0.46129 0.58209 0.42821 0.15841 0.30179
|
|
326 12D-1 0.15997 -0.82337 -0.95326 -0.03667 0.49302
|
|
327 12D+2 -0.06782 0.30017 0.63141 0.26465 -0.20080
|
|
328 12D-2 0.45945 -0.10022 -0.75109 -0.08227 0.15056
|
|
329 13F 0 0.00332 -0.00349 -0.00364 0.00233 -0.00100
|
|
330 13F+1 0.00448 -0.00318 -0.00085 0.00244 0.00177
|
|
331 13F-1 0.01277 0.00017 -0.00451 0.00021 0.00338
|
|
332 13F+2 0.00137 -0.00240 -0.00587 0.00143 0.00355
|
|
333 13F-2 0.00731 -0.00252 -0.00105 0.00240 0.00200
|
|
334 13F+3 -0.00395 -0.00277 -0.00278 -0.00643 -0.00093
|
|
335 13F-3 -0.00404 -0.00256 -0.00256 -0.00057 0.00148
|
|
336 14F 0 0.05818 0.00961 -0.09976 -0.01146 -0.00466
|
|
337 14F+1 0.00044 -0.03939 -0.03938 -0.01479 -0.00196
|
|
338 14F-1 -0.07252 0.05623 0.10061 -0.00267 -0.06287
|
|
339 14F+2 -0.02302 -0.09532 -0.06928 -0.03555 0.00677
|
|
340 14F-2 -0.08401 0.05856 0.11018 -0.00186 -0.04859
|
|
341 14F+3 0.03078 -0.02856 -0.05499 0.02705 0.02172
|
|
342 14F-3 0.00172 0.00479 0.01722 0.00231 -0.02097
|
|
343 15G 0 -0.00389 0.00015 0.00854 -0.00140 -0.00123
|
|
344 15G+1 -0.00039 0.00123 0.00436 -0.00142 -0.00174
|
|
345 15G-1 0.00127 -0.00250 0.00050 0.00279 0.00169
|
|
346 15G+2 0.00173 0.00746 0.00627 0.00278 -0.00337
|
|
347 15G-2 0.00510 -0.00491 -0.00693 -0.00033 0.00402
|
|
348 15G+3 -0.00332 0.00475 0.00799 0.00105 -0.00361
|
|
349 15G-3 0.00283 0.00000 -0.00051 0.00084 0.00352
|
|
350 15G+4 -0.00057 0.00042 0.00328 -0.00002 -0.00161
|
|
351 15G-4 0.00035 0.00059 0.00300 0.00069 0.00011
|
|
352 6 H 1S 0.00674 0.00103 -0.00235 -0.00475 -0.00223
|
|
353 2S -0.13113 0.28489 -0.11867 -0.20953 0.03520
|
|
354 3S -4.48131 1.41016 -0.46609 -1.11858 0.68158
|
|
355 4S 1.63357 -1.06971 -0.11349 -0.23753 0.34666
|
|
356 5S 0.05609 -0.46057 0.51668 0.13769 -0.36548
|
|
357 6PX -0.01472 -0.01788 0.00946 0.00567 -0.00646
|
|
358 6PY 0.01486 0.00902 -0.02246 0.01072 -0.00713
|
|
359 6PZ -0.00635 0.01823 -0.01553 -0.01209 -0.02143
|
|
360 7PX 0.09650 0.10093 -0.04183 -0.02573 0.03138
|
|
361 7PY -0.06722 -0.07013 0.14187 -0.05556 0.02938
|
|
362 7PZ 0.01976 -0.08531 0.07439 0.05941 0.12578
|
|
363 8PX -0.07473 -1.00678 0.40232 0.10145 -0.46289
|
|
364 8PY 0.91572 0.57188 -1.46489 0.59561 -0.32763
|
|
365 8PZ -1.48564 0.94533 -0.82358 -0.48822 -0.80610
|
|
366 9PX -0.83944 -0.51066 -0.08061 -0.16773 0.50041
|
|
367 9PY -1.17700 0.72985 -1.41097 0.18670 0.53477
|
|
368 9PZ -0.22315 -0.87343 -0.43031 0.40981 -0.51009
|
|
369 10D 0 0.00099 -0.00297 -0.00611 0.00039 0.00888
|
|
370 10D+1 -0.00511 -0.00103 0.00806 0.00080 0.00640
|
|
371 10D-1 0.00083 0.00241 0.00843 -0.00520 0.00439
|
|
372 10D+2 -0.00848 -0.01098 -0.00356 0.00341 0.00508
|
|
373 10D-2 0.00510 0.00447 0.00291 -0.00100 -0.00241
|
|
374 11D 0 -0.08301 0.03849 -0.00190 -0.00804 -0.03494
|
|
375 11D+1 0.09212 -0.02523 -0.02638 0.00110 -0.05938
|
|
376 11D-1 0.04436 -0.01162 -0.06224 0.03468 -0.03421
|
|
377 11D+2 0.04119 0.07770 -0.00767 -0.01066 -0.01826
|
|
378 11D-2 -0.04585 -0.02211 -0.00571 -0.00281 0.02096
|
|
379 12D 0 -0.40467 -0.06099 -0.88485 0.08017 -0.28947
|
|
380 12D+1 -0.46129 -0.58209 0.42821 -0.15841 0.30179
|
|
381 12D-1 -0.15997 0.82337 -0.95326 0.03667 0.49302
|
|
382 12D+2 -0.06782 0.30017 -0.63141 0.26465 0.20080
|
|
383 12D-2 0.45945 -0.10022 0.75109 -0.08227 -0.15056
|
|
384 13F 0 -0.00332 0.00349 -0.00364 -0.00233 -0.00100
|
|
385 13F+1 0.00448 -0.00318 0.00085 0.00244 -0.00177
|
|
386 13F-1 0.01277 0.00017 0.00451 0.00021 -0.00338
|
|
387 13F+2 -0.00137 0.00240 -0.00587 -0.00143 0.00355
|
|
388 13F-2 -0.00731 0.00252 -0.00105 -0.00240 0.00200
|
|
389 13F+3 -0.00395 -0.00277 0.00278 -0.00643 0.00093
|
|
390 13F-3 -0.00404 -0.00256 0.00256 -0.00057 -0.00148
|
|
391 14F 0 -0.05818 -0.00961 -0.09976 0.01146 -0.00466
|
|
392 14F+1 0.00044 -0.03939 0.03938 -0.01479 0.00196
|
|
393 14F-1 -0.07252 0.05623 -0.10061 -0.00267 0.06287
|
|
394 14F+2 0.02302 0.09532 -0.06928 0.03555 0.00677
|
|
395 14F-2 0.08401 -0.05856 0.11018 0.00186 -0.04859
|
|
396 14F+3 0.03078 -0.02856 0.05499 0.02705 -0.02172
|
|
397 14F-3 0.00172 0.00479 -0.01722 0.00231 0.02097
|
|
398 15G 0 -0.00389 0.00015 -0.00854 -0.00140 0.00123
|
|
399 15G+1 0.00039 -0.00123 0.00436 0.00142 -0.00174
|
|
400 15G-1 -0.00127 0.00250 0.00050 -0.00279 0.00169
|
|
401 15G+2 0.00173 0.00746 -0.00627 0.00278 0.00337
|
|
402 15G-2 0.00510 -0.00491 0.00693 -0.00033 -0.00402
|
|
403 15G+3 0.00332 -0.00475 0.00799 -0.00105 -0.00361
|
|
404 15G-3 -0.00283 0.00000 -0.00051 -0.00084 0.00352
|
|
405 15G+4 -0.00057 0.00042 -0.00328 -0.00002 0.00161
|
|
406 15G-4 0.00035 0.00059 -0.00300 0.00069 -0.00011
|
|
126 127 128 129 130
|
|
V V V V V
|
|
Eigenvalues -- 2.88457 2.94932 2.96838 2.98638 3.04672
|
|
1 1 C 1S -0.01170 0.00000 0.03206 -0.04944 0.00000
|
|
2 2S 0.00466 0.00000 -0.06772 0.09449 0.00000
|
|
3 3S -0.16924 0.00000 0.07385 -0.17422 0.00000
|
|
4 4S 2.44839 0.00000 -0.83343 2.64491 0.00000
|
|
5 5S -4.80815 0.00000 -3.27020 1.13787 0.00000
|
|
6 6S -1.23433 0.00000 -1.16749 1.87503 0.00000
|
|
7 7PX -0.07931 0.00000 0.04890 0.02833 0.00000
|
|
8 7PY -0.00919 0.00000 0.03950 -0.01956 0.00000
|
|
9 7PZ 0.00000 0.01901 0.00000 0.00000 -0.02710
|
|
10 8PX -0.27122 0.00000 0.22677 -0.37811 0.00000
|
|
11 8PY -0.01852 0.00000 -0.10122 0.24751 0.00000
|
|
12 8PZ 0.00000 -0.27551 0.00000 0.00000 -0.52486
|
|
13 9PX -0.16760 0.00000 1.05877 6.18873 0.00000
|
|
14 9PY -0.31090 0.00000 1.40545 -1.17238 0.00000
|
|
15 9PZ 0.00000 3.23091 0.00000 0.00000 3.89503
|
|
16 10PX -0.90632 0.00000 -2.75450 3.13967 0.00000
|
|
17 10PY 4.17716 0.00000 0.71125 0.88618 0.00000
|
|
18 10PZ 0.00000 4.35128 0.00000 0.00000 5.93041
|
|
19 11PX 0.22868 0.00000 -0.20451 0.15789 0.00000
|
|
20 11PY 0.57781 0.00000 0.16812 -0.06880 0.00000
|
|
21 11PZ 0.00000 0.08369 0.00000 0.00000 -0.04573
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|
282 14F+1 -0.00224 0.00000 -0.00298 -0.01780 0.00000
|
|
283 14F-1 0.04065 0.00000 -0.06909 -0.01146 0.00000
|
|
284 14F+2 0.00000 0.11998 0.00000 0.00000 -0.09059
|
|
285 14F-2 0.00000 -0.02340 0.00000 0.00000 0.00701
|
|
286 14F+3 -0.03998 0.00000 0.02618 0.13900 0.00000
|
|
287 14F-3 -0.09797 0.00000 -0.01001 -0.07513 0.00000
|
|
288 15G 0 0.00101 0.00000 -0.00113 0.00048 0.00000
|
|
289 15G+1 0.00000 -0.00670 0.00000 0.00000 0.00100
|
|
290 15G-1 0.00000 -0.00304 0.00000 0.00000 -0.00218
|
|
291 15G+2 0.00016 0.00000 0.00033 -0.00253 0.00000
|
|
292 15G-2 0.00354 0.00000 -0.00150 0.00004 0.00000
|
|
293 15G+3 0.00000 0.00722 0.00000 0.00000 -0.00417
|
|
294 15G-3 0.00000 0.00064 0.00000 0.00000 0.00296
|
|
295 15G+4 -0.00921 0.00000 0.00429 0.00315 0.00000
|
|
296 15G-4 -0.00590 0.00000 0.00122 -0.00433 0.00000
|
|
297 5 H 1S -0.00397 0.00489 0.01144 -0.01244 0.00122
|
|
298 2S 0.08728 0.17109 0.08706 -0.07179 0.38849
|
|
299 3S 1.66450 -3.54038 -0.45977 -0.92666 -4.11357
|
|
300 4S -0.85979 -3.10102 1.14973 -4.67264 -3.13132
|
|
301 5S -0.26840 0.11552 -0.16575 0.10303 0.15069
|
|
302 6PX -0.00028 0.03695 -0.00845 0.01982 -0.01154
|
|
303 6PY 0.00022 -0.01366 -0.01135 0.00858 -0.02098
|
|
304 6PZ -0.00749 -0.01308 -0.00329 0.02792 0.00782
|
|
305 7PX -0.00672 -0.22886 0.05078 -0.11479 0.04890
|
|
306 7PY -0.01178 0.06568 0.07324 -0.06291 0.09967
|
|
307 7PZ 0.02767 0.06163 0.02181 -0.16308 -0.09074
|
|
308 8PX -0.25484 2.78114 -0.09126 0.77070 0.04227
|
|
309 8PY -0.06803 -0.02404 -0.26763 0.41387 -0.58825
|
|
310 8PZ -0.79775 0.24076 0.40662 0.88038 1.98127
|
|
311 9PX 0.36113 1.78148 -0.58515 0.48220 0.25252
|
|
312 9PY 0.39629 0.75819 -0.20881 1.20232 0.48108
|
|
313 9PZ 0.11929 0.42472 0.46975 2.30674 1.62645
|
|
314 10D 0 0.00416 -0.01341 0.00215 -0.00891 0.02001
|
|
315 10D+1 0.00228 0.01872 0.00007 -0.01089 0.01082
|
|
316 10D-1 -0.00247 0.01191 -0.00345 -0.01521 0.00873
|
|
317 10D+2 0.00130 0.01975 0.01155 -0.00129 0.00152
|
|
318 10D-2 0.00467 -0.01157 0.00081 0.01038 -0.00324
|
|
319 11D 0 0.01205 0.07463 -0.04277 0.07761 -0.16888
|
|
320 11D+1 0.02048 -0.17357 -0.01861 0.08995 -0.09733
|
|
321 11D-1 0.03104 -0.09273 0.00085 0.09318 -0.07791
|
|
322 11D+2 0.00347 -0.13581 -0.05599 0.01124 -0.01440
|
|
323 11D-2 -0.01930 0.03702 -0.00368 -0.04932 0.00366
|
|
324 12D 0 0.21661 0.43190 -0.27893 -0.52457 -0.71948
|
|
325 12D+1 0.06426 -0.87310 0.06803 -0.81051 -0.23341
|
|
326 12D-1 -0.32664 0.37992 -0.00860 -1.08637 0.05705
|
|
327 12D+2 0.12154 -0.21642 0.18897 0.17659 -0.02676
|
|
328 12D-2 -0.10332 -0.98767 0.13904 -0.00364 0.01860
|
|
329 13F 0 -0.00162 -0.00466 0.00309 -0.00416 0.00321
|
|
330 13F+1 -0.00512 0.00459 0.00653 -0.00015 0.00480
|
|
331 13F-1 -0.00386 0.00080 -0.00490 -0.00334 0.00436
|
|
332 13F+2 -0.00022 0.01047 -0.00689 -0.00476 -0.00255
|
|
333 13F-2 -0.00241 0.00114 0.00226 -0.00082 -0.00381
|
|
334 13F+3 -0.00367 -0.00156 0.00803 0.00865 -0.00836
|
|
335 13F-3 -0.00376 -0.00575 -0.00296 -0.00036 0.00992
|
|
336 14F 0 -0.01651 -0.11670 0.03058 0.01574 0.07268
|
|
337 14F+1 0.00925 0.03706 -0.03922 -0.00705 0.05135
|
|
338 14F-1 0.05541 -0.01087 0.04915 0.07063 0.03235
|
|
339 14F+2 -0.03481 0.04351 0.03229 0.00006 0.02941
|
|
340 14F-2 0.04219 0.06187 -0.04267 0.03974 0.06669
|
|
341 14F+3 0.00612 0.05377 -0.04430 -0.07278 0.05154
|
|
342 14F-3 0.02319 0.08552 0.00697 0.00067 -0.04775
|
|
343 15G 0 0.00203 0.00835 -0.00185 0.00150 -0.00128
|
|
344 15G+1 0.00008 0.00247 0.00035 0.00036 -0.00314
|
|
345 15G-1 -0.00341 0.00084 -0.00094 -0.00555 -0.00210
|
|
346 15G+2 0.00416 -0.00219 0.00151 0.00190 0.00043
|
|
347 15G-2 -0.00365 -0.00178 0.00249 -0.00420 -0.00380
|
|
348 15G+3 0.00220 -0.00304 0.00033 0.00275 0.00200
|
|
349 15G-3 0.00049 -0.00202 0.00226 0.00037 -0.00441
|
|
350 15G+4 0.00075 -0.00058 -0.00029 0.00089 0.00056
|
|
351 15G-4 0.00003 -0.00273 0.00034 -0.00044 -0.00078
|
|
352 6 H 1S -0.00397 -0.00489 0.01144 -0.01244 -0.00122
|
|
353 2S 0.08728 -0.17109 0.08706 -0.07179 -0.38849
|
|
354 3S 1.66450 3.54038 -0.45977 -0.92666 4.11357
|
|
355 4S -0.85979 3.10102 1.14973 -4.67264 3.13132
|
|
356 5S -0.26840 -0.11552 -0.16575 0.10303 -0.15069
|
|
357 6PX -0.00028 -0.03695 -0.00845 0.01982 0.01154
|
|
358 6PY 0.00022 0.01366 -0.01135 0.00858 0.02098
|
|
359 6PZ 0.00749 -0.01308 0.00329 -0.02792 0.00782
|
|
360 7PX -0.00672 0.22886 0.05078 -0.11479 -0.04890
|
|
361 7PY -0.01178 -0.06568 0.07324 -0.06291 -0.09967
|
|
362 7PZ -0.02767 0.06163 -0.02181 0.16308 -0.09074
|
|
363 8PX -0.25484 -2.78114 -0.09126 0.77070 -0.04227
|
|
364 8PY -0.06803 0.02404 -0.26763 0.41387 0.58825
|
|
365 8PZ 0.79775 0.24076 -0.40662 -0.88038 1.98127
|
|
366 9PX 0.36113 -1.78148 -0.58515 0.48220 -0.25252
|
|
367 9PY 0.39629 -0.75819 -0.20881 1.20232 -0.48108
|
|
368 9PZ -0.11929 0.42472 -0.46975 -2.30674 1.62645
|
|
369 10D 0 0.00416 0.01341 0.00215 -0.00891 -0.02001
|
|
370 10D+1 -0.00228 0.01872 -0.00007 0.01089 0.01082
|
|
371 10D-1 0.00247 0.01191 0.00345 0.01521 0.00873
|
|
372 10D+2 0.00130 -0.01975 0.01155 -0.00129 -0.00152
|
|
373 10D-2 0.00467 0.01157 0.00081 0.01038 0.00324
|
|
374 11D 0 0.01205 -0.07463 -0.04277 0.07761 0.16888
|
|
375 11D+1 -0.02048 -0.17357 0.01861 -0.08995 -0.09733
|
|
376 11D-1 -0.03104 -0.09273 -0.00085 -0.09318 -0.07791
|
|
377 11D+2 0.00347 0.13581 -0.05599 0.01124 0.01440
|
|
378 11D-2 -0.01930 -0.03702 -0.00368 -0.04932 -0.00366
|
|
379 12D 0 0.21661 -0.43190 -0.27893 -0.52457 0.71948
|
|
380 12D+1 -0.06426 -0.87310 -0.06803 0.81051 -0.23341
|
|
381 12D-1 0.32664 0.37992 0.00860 1.08637 0.05705
|
|
382 12D+2 0.12154 0.21642 0.18897 0.17659 0.02676
|
|
383 12D-2 -0.10332 0.98767 0.13904 -0.00364 -0.01860
|
|
384 13F 0 0.00162 -0.00466 -0.00309 0.00416 0.00321
|
|
385 13F+1 -0.00512 -0.00459 0.00653 -0.00015 -0.00480
|
|
386 13F-1 -0.00386 -0.00080 -0.00490 -0.00334 -0.00436
|
|
387 13F+2 0.00022 0.01047 0.00689 0.00476 -0.00255
|
|
388 13F-2 0.00241 0.00114 -0.00226 0.00082 -0.00381
|
|
389 13F+3 -0.00367 0.00156 0.00803 0.00865 0.00836
|
|
390 13F-3 -0.00376 0.00575 -0.00296 -0.00036 -0.00992
|
|
391 14F 0 0.01651 -0.11670 -0.03058 -0.01574 0.07268
|
|
392 14F+1 0.00925 -0.03706 -0.03922 -0.00705 -0.05135
|
|
393 14F-1 0.05541 0.01087 0.04915 0.07063 -0.03235
|
|
394 14F+2 0.03481 0.04351 -0.03229 -0.00006 0.02941
|
|
395 14F-2 -0.04219 0.06187 0.04267 -0.03974 0.06669
|
|
396 14F+3 0.00612 -0.05377 -0.04430 -0.07278 -0.05154
|
|
397 14F-3 0.02319 -0.08552 0.00697 0.00067 0.04775
|
|
398 15G 0 0.00203 -0.00835 -0.00185 0.00150 0.00128
|
|
399 15G+1 -0.00008 0.00247 -0.00035 -0.00036 -0.00314
|
|
400 15G-1 0.00341 0.00084 0.00094 0.00555 -0.00210
|
|
401 15G+2 0.00416 0.00219 0.00151 0.00190 -0.00043
|
|
402 15G-2 -0.00365 0.00178 0.00249 -0.00420 0.00380
|
|
403 15G+3 -0.00220 -0.00304 -0.00033 -0.00275 0.00200
|
|
404 15G-3 -0.00049 -0.00202 -0.00226 -0.00037 -0.00441
|
|
405 15G+4 0.00075 0.00058 -0.00029 0.00089 -0.00056
|
|
406 15G-4 0.00003 0.00273 0.00034 -0.00044 0.00078
|
|
131 132 133 134 135
|
|
V V V V V
|
|
Eigenvalues -- 3.07834 3.14362 3.21675 3.26846 3.29381
|
|
1 1 C 1S 0.05359 0.00000 -0.00757 0.00000 0.00680
|
|
2 2S -0.08642 0.00000 0.00268 0.00000 -0.02613
|
|
3 3S 0.35317 0.00000 -0.09799 0.00000 0.02292
|
|
4 4S -6.72803 0.00000 0.22190 0.00000 -2.79519
|
|
5 5S 12.52508 0.00000 -0.49369 0.00000 6.71321
|
|
6 6S -4.77129 0.00000 -0.05136 0.00000 -1.57369
|
|
7 7PX -0.02869 0.00000 0.11651 0.00000 -0.02773
|
|
8 7PY 0.05302 0.00000 -0.00965 0.00000 0.03981
|
|
9 7PZ 0.00000 0.12162 0.00000 -0.04847 0.00000
|
|
10 8PX -0.59681 0.00000 -0.96570 0.00000 0.10435
|
|
11 8PY -0.39784 0.00000 -0.14157 0.00000 -0.00360
|
|
12 8PZ 0.00000 -0.78477 0.00000 0.67610 0.00000
|
|
13 9PX 4.96806 0.00000 13.49500 0.00000 -2.28645
|
|
14 9PY 3.23886 0.00000 1.04802 0.00000 0.02238
|
|
15 9PZ 0.00000 13.51624 0.00000 -6.75977 0.00000
|
|
16 10PX 5.65457 0.00000 9.45488 0.00000 -0.79306
|
|
17 10PY -0.27669 0.00000 -1.86991 0.00000 -5.43502
|
|
18 10PZ 0.00000 6.90781 0.00000 -7.99545 0.00000
|
|
19 11PX -0.20894 0.00000 -0.12252 0.00000 0.23125
|
|
20 11PY 0.43789 0.00000 -0.10834 0.00000 0.17123
|
|
21 11PZ 0.00000 -0.47133 0.00000 -0.47425 0.00000
|
|
22 12D 0 -0.02466 0.00000 0.01583 0.00000 0.02609
|
|
23 12D+1 0.00000 -0.00331 0.00000 -0.03260 0.00000
|
|
24 12D-1 0.00000 0.01800 0.00000 0.03842 0.00000
|
|
25 12D+2 -0.01456 0.00000 -0.00481 0.00000 0.03718
|
|
26 12D-2 -0.03585 0.00000 -0.00247 0.00000 -0.01282
|
|
27 13D 0 0.00034 0.00000 -0.28987 0.00000 -0.10625
|
|
28 13D+1 0.00000 -0.20380 0.00000 0.23227 0.00000
|
|
29 13D-1 0.00000 -0.23726 0.00000 -0.03282 0.00000
|
|
30 13D+2 0.03842 0.00000 0.17211 0.00000 -0.25172
|
|
31 13D-2 0.09891 0.00000 -0.12638 0.00000 0.06393
|
|
32 14D 0 3.07403 0.00000 10.12124 0.00000 2.32072
|
|
33 14D+1 0.00000 7.29703 0.00000 -9.03352 0.00000
|
|
34 14D-1 0.00000 6.96205 0.00000 -0.43408 0.00000
|
|
35 14D+2 -2.82543 0.00000 -5.51581 0.00000 4.95878
|
|
36 14D-2 0.54072 0.00000 4.12049 0.00000 -1.40162
|
|
37 15D 0 1.86012 0.00000 4.06618 0.00000 1.10623
|
|
38 15D+1 0.00000 1.27454 0.00000 -6.63174 0.00000
|
|
39 15D-1 0.00000 3.39935 0.00000 2.17078 0.00000
|
|
40 15D+2 -2.33936 0.00000 -2.86476 0.00000 0.53815
|
|
41 15D-2 -0.96430 0.00000 1.19653 0.00000 -1.46908
|
|
42 16F 0 0.00000 -0.00815 0.00000 0.01804 0.00000
|
|
43 16F+1 -0.04723 0.00000 -0.00364 0.00000 -0.03181
|
|
44 16F-1 -0.03891 0.00000 -0.06813 0.00000 0.01215
|
|
45 16F+2 0.00000 -0.01340 0.00000 0.01481 0.00000
|
|
46 16F-2 0.00000 -0.08170 0.00000 0.04629 0.00000
|
|
47 16F+3 0.00755 0.00000 -0.04987 0.00000 0.01698
|
|
48 16F-3 -0.02192 0.00000 0.04648 0.00000 -0.00633
|
|
49 17F 0 0.00000 0.06185 0.00000 -0.23963 0.00000
|
|
50 17F+1 0.51544 0.00000 0.10076 0.00000 0.37345
|
|
51 17F-1 0.58140 0.00000 0.80236 0.00000 -0.10096
|
|
52 17F+2 0.00000 0.09123 0.00000 -0.20558 0.00000
|
|
53 17F-2 0.00000 0.92823 0.00000 -0.56158 0.00000
|
|
54 17F+3 0.01954 0.00000 0.47356 0.00000 -0.13474
|
|
55 17F-3 0.14413 0.00000 -0.50723 0.00000 0.06920
|
|
56 18F 0 0.00000 -0.41192 0.00000 -0.82080 0.00000
|
|
57 18F+1 0.74693 0.00000 0.47056 0.00000 3.82745
|
|
58 18F-1 3.37074 0.00000 2.84790 0.00000 -0.72607
|
|
59 18F+2 0.00000 0.94683 0.00000 -0.47459 0.00000
|
|
60 18F-2 0.00000 3.29752 0.00000 -2.59267 0.00000
|
|
61 18F+3 -0.69103 0.00000 1.91464 0.00000 -0.93243
|
|
62 18F-3 0.05906 0.00000 -2.11051 0.00000 -0.72060
|
|
63 19G 0 -0.01093 0.00000 0.00224 0.00000 0.00134
|
|
64 19G+1 0.00000 -0.00383 0.00000 -0.01245 0.00000
|
|
65 19G-1 0.00000 0.02098 0.00000 0.00741 0.00000
|
|
66 19G+2 0.02234 0.00000 -0.00130 0.00000 0.01269
|
|
67 19G-2 0.02735 0.00000 0.01376 0.00000 -0.01943
|
|
68 19G+3 0.00000 -0.00237 0.00000 -0.01003 0.00000
|
|
69 19G-3 0.00000 0.01211 0.00000 0.00580 0.00000
|
|
70 19G+4 -0.00737 0.00000 -0.00889 0.00000 0.00559
|
|
71 19G-4 -0.00435 0.00000 0.01108 0.00000 0.00067
|
|
72 20G 0 -0.08570 0.00000 -0.15992 0.00000 0.28626
|
|
73 20G+1 0.00000 0.38734 0.00000 -0.17364 0.00000
|
|
74 20G-1 0.00000 0.20833 0.00000 -0.34494 0.00000
|
|
75 20G+2 -0.35780 0.00000 0.41768 0.00000 0.05194
|
|
76 20G-2 0.56626 0.00000 0.13957 0.00000 0.16156
|
|
77 20G+3 0.00000 -0.29615 0.00000 -0.13722 0.00000
|
|
78 20G-3 0.00000 0.34682 0.00000 -0.31383 0.00000
|
|
79 20G+4 -0.15851 0.00000 -0.20342 0.00000 0.24457
|
|
80 20G-4 -0.01774 0.00000 0.44490 0.00000 -0.01802
|
|
81 21H 0 0.00000 -0.05230 0.00000 0.04222 0.00000
|
|
82 21H+1 0.00771 0.00000 0.08485 0.00000 0.03304
|
|
83 21H-1 0.03907 0.00000 0.04471 0.00000 0.03499
|
|
84 21H+2 0.00000 -0.00747 0.00000 -0.07885 0.00000
|
|
85 21H-2 0.00000 0.05521 0.00000 -0.02747 0.00000
|
|
86 21H+3 -0.06776 0.00000 -0.03135 0.00000 0.06397
|
|
87 21H-3 -0.00090 0.00000 0.02924 0.00000 0.01624
|
|
88 21H+4 0.00000 -0.04455 0.00000 0.01529 0.00000
|
|
89 21H-4 0.00000 -0.00103 0.00000 -0.06411 0.00000
|
|
90 21H+5 0.01545 0.00000 0.00145 0.00000 -0.02334
|
|
91 21H-5 0.00999 0.00000 -0.04927 0.00000 0.02295
|
|
92 2 S 1S -0.00622 0.00000 0.00525 0.00000 0.01624
|
|
93 2S 0.00276 0.00000 -0.01004 0.00000 -0.02120
|
|
94 3S -0.05153 0.00000 0.02592 0.00000 0.12354
|
|
95 4S -0.03334 0.00000 -0.06649 0.00000 0.10720
|
|
96 5S 0.15813 0.00000 0.05046 0.00000 -0.71913
|
|
97 6S -0.35390 0.00000 0.66808 0.00000 2.31110
|
|
98 7S 0.12382 0.00000 -0.92732 0.00000 2.79831
|
|
99 8PX -0.00030 0.00000 -0.00784 0.00000 -0.01183
|
|
100 8PY 0.00048 0.00000 0.00074 0.00000 -0.03495
|
|
101 8PZ 0.00000 0.01544 0.00000 0.00580 0.00000
|
|
102 9PX 0.00352 0.00000 0.01605 0.00000 0.01706
|
|
103 9PY -0.00736 0.00000 -0.00039 0.00000 0.05949
|
|
104 9PZ 0.00000 -0.03816 0.00000 -0.00864 0.00000
|
|
105 10PX 0.04821 0.00000 -0.02452 0.00000 -0.02767
|
|
106 10PY -0.07060 0.00000 0.01352 0.00000 0.02773
|
|
107 10PZ 0.00000 -0.03108 0.00000 0.03646 0.00000
|
|
108 11PX -0.35099 0.00000 0.18707 0.00000 0.21313
|
|
109 11PY 0.76704 0.00000 0.09126 0.00000 0.52865
|
|
110 11PZ 0.00000 -0.57305 0.00000 -0.56850 0.00000
|
|
111 12PX 1.84683 0.00000 1.72502 0.00000 3.02465
|
|
112 12PY -6.23900 0.00000 -1.99148 0.00000 -1.04065
|
|
113 12PZ 0.00000 1.75067 0.00000 2.18643 0.00000
|
|
114 13PX -0.19510 0.00000 -0.17295 0.00000 0.11278
|
|
115 13PY -0.28420 0.00000 -0.06115 0.00000 0.45078
|
|
116 13PZ 0.00000 0.35536 0.00000 0.28583 0.00000
|
|
117 14D 0 0.68286 0.00000 0.15848 0.00000 -1.48711
|
|
118 14D+1 0.00000 0.20596 0.00000 0.40519 0.00000
|
|
119 14D-1 0.00000 2.40907 0.00000 2.01534 0.00000
|
|
120 14D+2 3.70173 0.00000 0.06091 0.00000 1.29608
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372 10D+2 0.00454 0.00205 -0.00153 0.01621 0.01152
|
|
373 10D-2 0.01861 -0.00252 0.00703 0.00472 0.00581
|
|
374 11D 0 -0.25088 0.26078 -0.17096 -0.15896 -0.06016
|
|
375 11D+1 0.34066 -0.21539 0.15883 0.19465 0.02329
|
|
376 11D-1 0.15264 -0.16094 0.17995 0.17454 0.07115
|
|
377 11D+2 -0.06137 0.00313 0.00016 -0.09946 -0.06739
|
|
378 11D-2 -0.16418 0.08750 -0.11091 -0.08371 -0.06560
|
|
379 12D 0 0.40292 1.89724 0.96419 -0.87563 1.25236
|
|
380 12D+1 0.42464 -1.29188 1.64391 -0.46561 -0.25425
|
|
381 12D-1 -0.73848 -0.81527 0.87067 1.34185 0.85375
|
|
382 12D+2 -0.93838 0.14668 -0.55403 1.25695 1.30102
|
|
383 12D-2 0.41313 0.27261 -0.71675 -0.43645 -0.41169
|
|
384 13F 0 0.00114 0.00962 -0.00050 -0.00451 -0.00012
|
|
385 13F+1 0.01453 -0.01808 0.01131 0.01083 -0.00507
|
|
386 13F-1 0.00780 -0.00934 0.00419 0.01360 0.00377
|
|
387 13F+2 -0.00281 0.00954 -0.00467 0.00651 -0.00487
|
|
388 13F-2 -0.01076 0.01740 -0.01776 -0.01148 -0.00352
|
|
389 13F+3 -0.00564 0.00501 0.00369 0.00331 -0.00290
|
|
390 13F-3 0.00292 0.01312 0.00023 0.00387 -0.00154
|
|
391 14F 0 -0.01379 0.11367 0.17140 -0.04389 0.13767
|
|
392 14F+1 0.07454 -0.08990 0.03009 -0.06149 -0.05685
|
|
393 14F-1 -0.04138 -0.04732 0.03091 0.12041 0.05398
|
|
394 14F+2 -0.14347 -0.01460 -0.04644 0.10638 0.15998
|
|
395 14F-2 0.00625 -0.04972 -0.06982 -0.02770 -0.08708
|
|
396 14F+3 0.07604 -0.03281 -0.04354 -0.08547 -0.06291
|
|
397 14F-3 0.03620 -0.09461 0.07953 -0.03282 0.03176
|
|
398 15G 0 0.00095 0.00615 0.01169 -0.00226 0.00698
|
|
399 15G+1 0.00085 -0.00791 -0.00538 -0.00165 -0.00994
|
|
400 15G-1 -0.00099 -0.00228 -0.00689 0.00666 0.00043
|
|
401 15G+2 -0.00742 0.00301 -0.00496 0.01225 0.01039
|
|
402 15G-2 0.00113 -0.00206 -0.00408 -0.00211 -0.00168
|
|
403 15G+3 0.00515 -0.00182 -0.00030 -0.00758 -0.00880
|
|
404 15G-3 0.00125 0.00065 0.00691 -0.00366 0.00072
|
|
405 15G+4 0.00062 0.00095 0.00216 0.00148 0.00276
|
|
406 15G-4 -0.00154 0.00002 -0.00246 0.00217 0.00029
|
|
136 137 138 139 140
|
|
V V V V V
|
|
Eigenvalues -- 3.35056 3.39931 3.50469 3.55045 3.59398
|
|
1 1 C 1S 0.00159 -0.00099 0.00000 -0.00305 0.00000
|
|
2 2S -0.05330 0.02412 0.00000 -0.00937 0.00000
|
|
3 3S -0.37246 0.21952 0.00000 -0.09554 0.00000
|
|
4 4S -0.12493 -1.61855 0.00000 0.61112 0.00000
|
|
5 5S -0.12298 5.88409 0.00000 -1.19647 0.00000
|
|
6 6S -2.00091 0.44651 0.00000 -2.07958 0.00000
|
|
7 7PX 0.00551 -0.01227 0.00000 0.04548 0.00000
|
|
8 7PY -0.07900 0.06912 0.00000 0.00644 0.00000
|
|
9 7PZ 0.00000 0.00000 0.07283 0.00000 0.00885
|
|
10 8PX -0.07632 -0.77626 0.00000 0.43579 0.00000
|
|
11 8PY -1.24847 0.81041 0.00000 0.01538 0.00000
|
|
12 8PZ 0.00000 0.00000 0.25004 0.00000 -2.23613
|
|
13 9PX 1.91671 7.70045 0.00000 -6.28099 0.00000
|
|
14 9PY 5.73386 -3.03120 0.00000 -0.44758 0.00000
|
|
15 9PZ 0.00000 0.00000 -3.52719 0.00000 20.54082
|
|
16 10PX 0.62494 2.36323 0.00000 7.04183 0.00000
|
|
17 10PY -4.34025 -0.82922 0.00000 1.18447 0.00000
|
|
18 10PZ 0.00000 0.00000 9.60644 0.00000 14.73197
|
|
19 11PX -0.12474 -0.52782 0.00000 0.40005 0.00000
|
|
20 11PY 0.06886 -0.00971 0.00000 0.33738 0.00000
|
|
21 11PZ 0.00000 0.00000 0.28667 0.00000 0.05128
|
|
22 12D 0 -0.03509 -0.02350 0.00000 0.01047 0.00000
|
|
23 12D+1 0.00000 0.00000 0.00668 0.00000 -0.06415
|
|
24 12D-1 0.00000 0.00000 0.00494 0.00000 -0.04311
|
|
25 12D+2 -0.00713 0.04009 0.00000 -0.00254 0.00000
|
|
26 12D-2 0.01108 0.01761 0.00000 0.00292 0.00000
|
|
27 13D 0 0.09352 -0.02232 0.00000 -0.07216 0.00000
|
|
28 13D+1 0.00000 0.00000 -0.12153 0.00000 -0.05637
|
|
29 13D-1 0.00000 0.00000 -0.04850 0.00000 0.18608
|
|
30 13D+2 0.03129 -0.09442 0.00000 0.00643 0.00000
|
|
31 13D-2 0.00890 -0.01666 0.00000 0.01647 0.00000
|
|
32 14D 0 -0.74579 1.08305 0.00000 -3.61517 0.00000
|
|
33 14D+1 0.00000 0.00000 -2.69680 0.00000 7.58294
|
|
34 14D-1 0.00000 0.00000 -1.84715 0.00000 7.48740
|
|
35 14D+2 1.69288 -0.57273 0.00000 2.77819 0.00000
|
|
36 14D-2 2.03510 4.58767 0.00000 -2.73616 0.00000
|
|
37 15D 0 -2.80198 -1.13784 0.00000 1.28482 0.00000
|
|
38 15D+1 0.00000 0.00000 1.54806 0.00000 2.25126
|
|
39 15D-1 0.00000 0.00000 -0.46036 0.00000 4.51491
|
|
40 15D+2 -0.59605 0.99389 0.00000 -0.13078 0.00000
|
|
41 15D-2 2.48191 4.10395 0.00000 -1.55340 0.00000
|
|
42 16F 0 0.00000 0.00000 -0.02835 0.00000 -0.00867
|
|
43 16F+1 0.01688 -0.02446 0.00000 -0.00863 0.00000
|
|
44 16F-1 0.01395 -0.03162 0.00000 0.00116 0.00000
|
|
45 16F+2 0.00000 0.00000 -0.03609 0.00000 -0.01007
|
|
46 16F-2 0.00000 0.00000 -0.03220 0.00000 -0.05857
|
|
47 16F+3 -0.00761 0.00544 0.00000 -0.03360 0.00000
|
|
48 16F-3 0.01369 -0.00909 0.00000 -0.00162 0.00000
|
|
49 17F 0 0.00000 0.00000 0.17361 0.00000 0.26889
|
|
50 17F+1 0.27021 0.01722 0.00000 0.11346 0.00000
|
|
51 17F-1 0.11885 0.34913 0.00000 -0.27531 0.00000
|
|
52 17F+2 0.00000 0.00000 0.28256 0.00000 0.25704
|
|
53 17F-2 0.00000 0.00000 -0.07121 0.00000 1.03820
|
|
54 17F+3 -0.10460 0.06586 0.00000 0.15967 0.00000
|
|
55 17F-3 0.03706 -0.12466 0.00000 0.25773 0.00000
|
|
56 18F 0 0.00000 0.00000 -0.28191 0.00000 0.14822
|
|
57 18F+1 1.21400 0.47633 0.00000 0.03047 0.00000
|
|
58 18F-1 0.40739 0.56112 0.00000 -1.94087 0.00000
|
|
59 18F+2 0.00000 0.00000 -0.10457 0.00000 0.28415
|
|
60 18F-2 0.00000 0.00000 -1.89010 0.00000 2.40825
|
|
61 18F+3 -0.50311 0.04253 0.00000 -0.79016 0.00000
|
|
62 18F-3 0.49327 -1.27946 0.00000 1.07853 0.00000
|
|
63 19G 0 -0.01292 0.00041 0.00000 0.01775 0.00000
|
|
64 19G+1 0.00000 0.00000 -0.04416 0.00000 0.06202
|
|
65 19G-1 0.00000 0.00000 -0.02732 0.00000 0.02369
|
|
66 19G+2 -0.02587 0.03872 0.00000 -0.03290 0.00000
|
|
67 19G-2 0.05080 -0.00836 0.00000 -0.01845 0.00000
|
|
68 19G+3 0.00000 0.00000 0.00626 0.00000 0.00687
|
|
69 19G-3 0.00000 0.00000 -0.02458 0.00000 0.01300
|
|
70 19G+4 -0.02563 0.00562 0.00000 0.03405 0.00000
|
|
71 19G-4 -0.00643 0.03570 0.00000 -0.04235 0.00000
|
|
72 20G 0 -0.08823 -0.30053 0.00000 -0.14829 0.00000
|
|
73 20G+1 0.00000 0.00000 0.84036 0.00000 0.64821
|
|
74 20G-1 0.00000 0.00000 0.15738 0.00000 0.62621
|
|
75 20G+2 0.17100 -0.03980 0.00000 0.60580 0.00000
|
|
76 20G-2 -0.02362 0.08774 0.00000 0.14053 0.00000
|
|
77 20G+3 0.00000 0.00000 0.11192 0.00000 -0.36321
|
|
78 20G-3 0.00000 0.00000 0.21722 0.00000 0.58149
|
|
79 20G+4 0.21044 0.02816 0.00000 -0.45541 0.00000
|
|
80 20G-4 0.00106 0.09302 0.00000 0.10120 0.00000
|
|
81 21H 0 0.00000 0.00000 0.03783 0.00000 -0.04890
|
|
82 21H+1 -0.01066 0.00344 0.00000 -0.00938 0.00000
|
|
83 21H-1 -0.01863 -0.00256 0.00000 -0.04371 0.00000
|
|
84 21H+2 0.00000 0.00000 0.02468 0.00000 0.04113
|
|
85 21H-2 0.00000 0.00000 0.05385 0.00000 0.08956
|
|
86 21H+3 0.00806 -0.01619 0.00000 0.03307 0.00000
|
|
87 21H-3 0.01591 0.02213 0.00000 0.04828 0.00000
|
|
88 21H+4 0.00000 0.00000 0.04600 0.00000 -0.02902
|
|
89 21H-4 0.00000 0.00000 -0.04209 0.00000 0.03167
|
|
90 21H+5 -0.02920 -0.03859 0.00000 0.05768 0.00000
|
|
91 21H-5 0.00480 -0.01318 0.00000 0.02689 0.00000
|
|
92 2 S 1S 0.00708 0.00048 0.00000 -0.00877 0.00000
|
|
93 2S 0.01110 -0.01646 0.00000 0.00346 0.00000
|
|
94 3S 0.11650 -0.04417 0.00000 -0.06789 0.00000
|
|
95 4S 0.55010 -0.36318 0.00000 0.11084 0.00000
|
|
96 5S -2.28388 1.39421 0.00000 -1.93391 0.00000
|
|
97 6S 2.03576 -0.89492 0.00000 4.58709 0.00000
|
|
98 7S 3.00017 -2.75862 0.00000 2.80978 0.00000
|
|
99 8PX -0.00959 0.01022 0.00000 -0.02858 0.00000
|
|
100 8PY -0.01154 0.01339 0.00000 -0.02910 0.00000
|
|
101 8PZ 0.00000 0.00000 -0.01624 0.00000 0.02121
|
|
102 9PX 0.01065 -0.01150 0.00000 0.09311 0.00000
|
|
103 9PY 0.06942 -0.07780 0.00000 0.12408 0.00000
|
|
104 9PZ 0.00000 0.00000 0.08137 0.00000 -0.09721
|
|
105 10PX -0.03692 0.09361 0.00000 0.20215 0.00000
|
|
106 10PY 0.34832 -0.37664 0.00000 0.39322 0.00000
|
|
107 10PZ 0.00000 0.00000 0.25679 0.00000 -0.33718
|
|
108 11PX -0.37281 -1.02059 0.00000 0.24395 0.00000
|
|
109 11PY -1.05813 1.71043 0.00000 -0.25686 0.00000
|
|
110 11PZ 0.00000 0.00000 0.10902 0.00000 0.28858
|
|
111 12PX 6.15314 2.35888 0.00000 1.30411 0.00000
|
|
112 12PY -1.43873 -5.29901 0.00000 1.13521 0.00000
|
|
113 12PZ 0.00000 0.00000 -1.70443 0.00000 0.19233
|
|
114 13PX 0.30785 -0.12012 0.00000 -0.17785 0.00000
|
|
115 13PY 0.57283 -0.50561 0.00000 0.07574 0.00000
|
|
116 13PZ 0.00000 0.00000 -0.38572 0.00000 0.01186
|
|
117 14D 0 -1.63335 1.44768 0.00000 -1.00024 0.00000
|
|
118 14D+1 0.00000 0.00000 -0.53690 0.00000 -0.01005
|
|
119 14D-1 0.00000 0.00000 -2.00430 0.00000 -0.08626
|
|
120 14D+2 0.70569 1.92238 0.00000 1.35528 0.00000
|
|
121 14D-2 0.11428 0.08626 0.00000 -2.74893 0.00000
|
|
122 15D 0 0.12045 -0.31016 0.00000 -1.02244 0.00000
|
|
123 15D+1 0.00000 0.00000 0.20831 0.00000 -0.09975
|
|
124 15D-1 0.00000 0.00000 0.58513 0.00000 0.85282
|
|
125 15D+2 1.00443 -0.77410 0.00000 0.22469 0.00000
|
|
126 15D-2 -0.47750 -0.39404 0.00000 0.57529 0.00000
|
|
127 16D 0 -0.25764 0.24964 0.00000 0.61313 0.00000
|
|
128 16D+1 0.00000 0.00000 -0.14074 0.00000 0.06546
|
|
129 16D-1 0.00000 0.00000 -0.48154 0.00000 -0.70138
|
|
130 16D+2 -0.37291 0.14334 0.00000 -0.04029 0.00000
|
|
131 16D-2 0.12805 -0.03717 0.00000 -0.43597 0.00000
|
|
132 17D 0 -0.05117 0.02910 0.00000 0.02467 0.00000
|
|
133 17D+1 0.00000 0.00000 -0.00768 0.00000 0.00354
|
|
134 17D-1 0.00000 0.00000 -0.05057 0.00000 -0.06614
|
|
135 17D+2 -0.02682 0.01105 0.00000 0.00944 0.00000
|
|
136 17D-2 -0.00680 -0.03048 0.00000 -0.04242 0.00000
|
|
137 18F 0 0.00000 0.00000 0.62316 0.00000 0.00571
|
|
138 18F+1 -0.77295 -0.23103 0.00000 -0.14447 0.00000
|
|
139 18F-1 -0.22873 1.13948 0.00000 -0.26185 0.00000
|
|
140 18F+2 0.00000 0.00000 0.62368 0.00000 -0.07170
|
|
141 18F-2 0.00000 0.00000 -0.48277 0.00000 0.06753
|
|
142 18F+3 0.21259 -0.61891 0.00000 1.75103 0.00000
|
|
143 18F-3 -1.28986 -0.21362 0.00000 0.05536 0.00000
|
|
144 19F 0 0.00000 0.00000 0.01831 0.00000 0.08842
|
|
145 19F+1 -0.29236 -0.01598 0.00000 -0.04258 0.00000
|
|
146 19F-1 0.01461 0.24464 0.00000 -0.06716 0.00000
|
|
147 19F+2 0.00000 0.00000 0.10142 0.00000 -0.04758
|
|
148 19F-2 0.00000 0.00000 0.05363 0.00000 0.07272
|
|
149 19F+3 -0.14643 -0.84197 0.00000 0.33014 0.00000
|
|
150 19F-3 -0.71047 -0.73159 0.00000 -0.09877 0.00000
|
|
151 20F 0 0.00000 0.00000 -0.04275 0.00000 -0.06683
|
|
152 20F+1 0.01736 0.00831 0.00000 0.01634 0.00000
|
|
153 20F-1 0.05579 -0.06927 0.00000 0.00469 0.00000
|
|
154 20F+2 0.00000 0.00000 -0.05494 0.00000 -0.08124
|
|
155 20F-2 0.00000 0.00000 0.00353 0.00000 -0.00889
|
|
156 20F+3 0.00331 0.05537 0.00000 -0.10979 0.00000
|
|
157 20F-3 0.13099 0.02516 0.00000 0.01035 0.00000
|
|
158 21G 0 0.34788 -0.22260 0.00000 0.12357 0.00000
|
|
159 21G+1 0.00000 0.00000 0.12383 0.00000 0.04221
|
|
160 21G-1 0.00000 0.00000 0.26233 0.00000 0.01694
|
|
161 21G+2 0.03637 -0.26360 0.00000 -0.02796 0.00000
|
|
162 21G-2 -0.09044 0.24535 0.00000 0.15421 0.00000
|
|
163 21G+3 0.00000 0.00000 0.17362 0.00000 -0.12084
|
|
164 21G-3 0.00000 0.00000 0.09818 0.00000 0.02387
|
|
165 21G+4 0.65668 -0.37157 0.00000 0.25929 0.00000
|
|
166 21G-4 -0.71115 -1.36844 0.00000 0.45976 0.00000
|
|
167 22G 0 -0.00667 0.01840 0.00000 0.03713 0.00000
|
|
168 22G+1 0.00000 0.00000 -0.00431 0.00000 0.00069
|
|
169 22G-1 0.00000 0.00000 -0.01981 0.00000 -0.00950
|
|
170 22G+2 -0.04022 0.03309 0.00000 -0.00540 0.00000
|
|
171 22G-2 0.03092 0.00714 0.00000 -0.00641 0.00000
|
|
172 22G+3 0.00000 0.00000 0.01534 0.00000 -0.00997
|
|
173 22G-3 0.00000 0.00000 -0.00783 0.00000 -0.01098
|
|
174 22G+4 -0.04012 0.01694 0.00000 -0.00243 0.00000
|
|
175 22G-4 0.05555 0.10957 0.00000 -0.05303 0.00000
|
|
176 23H 0 0.00000 0.00000 -0.01671 0.00000 -0.04601
|
|
177 23H+1 0.01293 0.00481 0.00000 0.01967 0.00000
|
|
178 23H-1 0.03505 -0.03367 0.00000 0.02782 0.00000
|
|
179 23H+2 0.00000 0.00000 -0.04636 0.00000 -0.03754
|
|
180 23H-2 0.00000 0.00000 0.03706 0.00000 -0.02877
|
|
181 23H+3 -0.05959 0.01875 0.00000 -0.04539 0.00000
|
|
182 23H-3 0.05644 -0.00941 0.00000 0.02614 0.00000
|
|
183 23H+4 0.00000 0.00000 -0.03927 0.00000 -0.02185
|
|
184 23H-4 0.00000 0.00000 0.02698 0.00000 -0.03776
|
|
185 23H+5 0.03582 -0.05842 0.00000 -0.00962 0.00000
|
|
186 23H-5 -0.00864 -0.09648 0.00000 -0.03194 0.00000
|
|
187 3 H 1S -0.00352 0.00404 0.00000 -0.00678 0.00000
|
|
188 2S 0.37694 0.03771 0.00000 0.70213 0.00000
|
|
189 3S -3.28930 -0.62745 0.00000 -3.00987 0.00000
|
|
190 4S -4.64754 0.62283 0.00000 -3.03204 0.00000
|
|
191 5S 0.19289 0.21610 0.00000 -0.08293 0.00000
|
|
192 6PX -0.00089 -0.00552 0.00000 -0.00438 0.00000
|
|
193 6PY 0.01548 0.03487 0.00000 -0.00246 0.00000
|
|
194 6PZ 0.00000 0.00000 0.00016 0.00000 0.00236
|
|
195 7PX -0.03842 0.03863 0.00000 -0.00949 0.00000
|
|
196 7PY -0.08300 -0.20832 0.00000 0.02849 0.00000
|
|
197 7PZ 0.00000 0.00000 0.00026 0.00000 -0.01066
|
|
198 8PX 1.03600 -0.08844 0.00000 0.58954 0.00000
|
|
199 8PY 0.53266 1.48351 0.00000 -0.35237 0.00000
|
|
200 8PZ 0.00000 0.00000 -0.02527 0.00000 0.16653
|
|
201 9PX 2.00298 -0.12480 0.00000 1.51424 0.00000
|
|
202 9PY 0.29718 1.74175 0.00000 -0.25985 0.00000
|
|
203 9PZ 0.00000 0.00000 0.12898 0.00000 0.09988
|
|
204 10D 0 -0.00849 0.00498 0.00000 -0.00611 0.00000
|
|
205 10D+1 0.00000 0.00000 -0.00221 0.00000 -0.00468
|
|
206 10D-1 0.00000 0.00000 -0.00688 0.00000 0.00384
|
|
207 10D+2 0.01925 0.00163 0.00000 0.00395 0.00000
|
|
208 10D-2 -0.00627 0.00066 0.00000 -0.01242 0.00000
|
|
209 11D 0 0.07084 -0.02064 0.00000 0.05182 0.00000
|
|
210 11D+1 0.00000 0.00000 0.00984 0.00000 0.02848
|
|
211 11D-1 0.00000 0.00000 0.03041 0.00000 -0.01762
|
|
212 11D+2 -0.13927 -0.00869 0.00000 -0.04699 0.00000
|
|
213 11D-2 0.05709 0.01827 0.00000 0.07176 0.00000
|
|
214 12D 0 0.11034 -0.25263 0.00000 -0.00471 0.00000
|
|
215 12D+1 0.00000 0.00000 0.00102 0.00000 -0.17318
|
|
216 12D-1 0.00000 0.00000 0.09308 0.00000 0.07175
|
|
217 12D+2 -0.26840 -0.18516 0.00000 -0.21802 0.00000
|
|
218 12D-2 -0.57536 -1.52136 0.00000 0.26310 0.00000
|
|
219 13F 0 0.00000 0.00000 0.01838 0.00000 -0.02424
|
|
220 13F+1 -0.00006 -0.00429 0.00000 -0.01484 0.00000
|
|
221 13F-1 0.01826 0.01617 0.00000 0.01068 0.00000
|
|
222 13F+2 0.00000 0.00000 0.02155 0.00000 -0.01929
|
|
223 13F-2 0.00000 0.00000 0.00660 0.00000 0.01084
|
|
224 13F+3 0.00695 -0.00672 0.00000 0.00605 0.00000
|
|
225 13F-3 0.00156 -0.00495 0.00000 -0.00035 0.00000
|
|
226 14F 0 0.00000 0.00000 -0.11987 0.00000 0.16424
|
|
227 14F+1 -0.03506 0.05441 0.00000 0.06418 0.00000
|
|
228 14F-1 -0.13456 -0.14922 0.00000 -0.05440 0.00000
|
|
229 14F+2 0.00000 0.00000 -0.15297 0.00000 0.14880
|
|
230 14F-2 0.00000 0.00000 -0.04908 0.00000 -0.07356
|
|
231 14F+3 0.04387 0.07443 0.00000 -0.01596 0.00000
|
|
232 14F-3 0.00742 0.18625 0.00000 -0.04624 0.00000
|
|
233 15G 0 0.00008 0.00105 0.00000 -0.00094 0.00000
|
|
234 15G+1 0.00000 0.00000 -0.00076 0.00000 0.00165
|
|
235 15G-1 0.00000 0.00000 -0.00048 0.00000 -0.00009
|
|
236 15G+2 -0.00065 -0.00033 0.00000 0.00165 0.00000
|
|
237 15G-2 0.00184 0.00354 0.00000 -0.00053 0.00000
|
|
238 15G+3 0.00000 0.00000 0.00037 0.00000 -0.00220
|
|
239 15G-3 0.00000 0.00000 -0.00131 0.00000 -0.00026
|
|
240 15G+4 -0.00607 -0.00374 0.00000 0.00081 0.00000
|
|
241 15G-4 -0.00288 -0.01129 0.00000 0.00290 0.00000
|
|
242 4 H 1S -0.00095 0.00048 0.00000 -0.02130 0.00000
|
|
243 2S -0.17465 -0.45868 0.00000 0.10141 0.00000
|
|
244 3S -2.50594 6.19405 0.00000 -6.17437 0.00000
|
|
245 4S 3.89017 2.98706 0.00000 4.53889 0.00000
|
|
246 5S -0.06981 -0.33418 0.00000 -0.26310 0.00000
|
|
247 6PX -0.00166 0.01864 0.00000 -0.04365 0.00000
|
|
248 6PY 0.01820 0.04418 0.00000 0.01290 0.00000
|
|
249 6PZ 0.00000 0.00000 -0.00658 0.00000 -0.02247
|
|
250 7PX 0.04305 -0.20197 0.00000 0.38448 0.00000
|
|
251 7PY -0.11774 -0.22682 0.00000 -0.07422 0.00000
|
|
252 7PZ 0.00000 0.00000 0.07480 0.00000 0.12140
|
|
253 8PX -0.85742 3.73528 0.00000 -4.26856 0.00000
|
|
254 8PY 1.10611 1.11878 0.00000 0.20958 0.00000
|
|
255 8PZ 0.00000 0.00000 -1.29412 0.00000 -0.62104
|
|
256 9PX 2.39241 2.53203 0.00000 0.40671 0.00000
|
|
257 9PY 0.79979 1.98389 0.00000 -1.06170 0.00000
|
|
258 9PZ 0.00000 0.00000 -0.84991 0.00000 -1.15233
|
|
259 10D 0 -0.00695 0.02954 0.00000 -0.02429 0.00000
|
|
260 10D+1 0.00000 0.00000 0.03621 0.00000 -0.02116
|
|
261 10D-1 0.00000 0.00000 -0.00332 0.00000 -0.01107
|
|
262 10D+2 0.02953 -0.02644 0.00000 0.06170 0.00000
|
|
263 10D-2 -0.01910 0.03564 0.00000 0.01022 0.00000
|
|
264 11D 0 0.05267 -0.23090 0.00000 0.15772 0.00000
|
|
265 11D+1 0.00000 0.00000 -0.28662 0.00000 0.12195
|
|
266 11D-1 0.00000 0.00000 0.04832 0.00000 0.06229
|
|
267 11D+2 -0.18360 0.23558 0.00000 -0.41822 0.00000
|
|
268 11D-2 0.15566 -0.24825 0.00000 -0.09354 0.00000
|
|
269 12D 0 0.04886 -0.25850 0.00000 0.48673 0.00000
|
|
270 12D+1 0.00000 0.00000 -0.65381 0.00000 -0.79766
|
|
271 12D-1 0.00000 0.00000 -0.12722 0.00000 0.11116
|
|
272 12D+2 0.79519 1.72691 0.00000 -0.91390 0.00000
|
|
273 12D-2 0.03728 1.08352 0.00000 0.15079 0.00000
|
|
274 13F 0 0.00000 0.00000 0.00205 0.00000 -0.02319
|
|
275 13F+1 -0.01016 -0.00092 0.00000 0.00502 0.00000
|
|
276 13F-1 -0.00194 0.00678 0.00000 0.01700 0.00000
|
|
277 13F+2 0.00000 0.00000 0.00478 0.00000 -0.02409
|
|
278 13F-2 0.00000 0.00000 0.01117 0.00000 0.00161
|
|
279 13F+3 0.00375 0.00646 0.00000 0.01208 0.00000
|
|
280 13F-3 -0.00024 0.00643 0.00000 -0.00232 0.00000
|
|
281 14F 0 0.00000 0.00000 0.13960 0.00000 0.18328
|
|
282 14F+1 0.10168 -0.16542 0.00000 0.09796 0.00000
|
|
283 14F-1 -0.01262 -0.04939 0.00000 -0.08716 0.00000
|
|
284 14F+2 0.00000 0.00000 -0.20228 0.00000 0.14774
|
|
285 14F-2 0.00000 0.00000 0.00257 0.00000 0.02746
|
|
286 14F+3 -0.03217 0.23163 0.00000 -0.38022 0.00000
|
|
287 14F-3 0.12871 -0.06527 0.00000 0.01456 0.00000
|
|
288 15G 0 -0.00083 0.00496 0.00000 -0.00216 0.00000
|
|
289 15G+1 0.00000 0.00000 0.00753 0.00000 0.00126
|
|
290 15G-1 0.00000 0.00000 -0.00101 0.00000 -0.00232
|
|
291 15G+2 0.00160 -0.00869 0.00000 0.00501 0.00000
|
|
292 15G-2 -0.00030 -0.00245 0.00000 0.00404 0.00000
|
|
293 15G+3 0.00000 0.00000 -0.00117 0.00000 -0.00237
|
|
294 15G-3 0.00000 0.00000 0.00194 0.00000 0.00118
|
|
295 15G+4 -0.00216 0.01639 0.00000 -0.00994 0.00000
|
|
296 15G-4 0.00418 0.00014 0.00000 0.00302 0.00000
|
|
297 5 H 1S -0.00233 0.00094 0.02088 0.01088 0.00882
|
|
298 2S 0.12270 0.22506 0.19648 0.01278 1.17739
|
|
299 3S -3.17895 -3.63121 2.54614 3.04490 -18.09299
|
|
300 4S 2.40429 -1.75708 -6.66082 -1.62833 -12.59097
|
|
301 5S -0.11862 0.18916 0.45848 0.14244 0.48014
|
|
302 6PX -0.01293 -0.02182 -0.01438 -0.01611 0.00913
|
|
303 6PY -0.01500 -0.00114 -0.01589 -0.00802 -0.01224
|
|
304 6PZ 0.02105 0.01539 -0.03749 -0.01676 -0.00335
|
|
305 7PX 0.04870 0.11337 0.11866 0.14599 -0.10736
|
|
306 7PY 0.05520 0.00415 0.09622 0.04926 0.00581
|
|
307 7PZ -0.17249 -0.09473 0.30632 0.13392 -0.10704
|
|
308 8PX 0.01632 -0.03124 -0.70193 -2.03952 3.61047
|
|
309 8PY 0.14999 0.39263 -0.13267 -0.26396 2.46699
|
|
310 8PZ 1.96546 1.69744 -2.52182 -1.31486 6.73067
|
|
311 9PX -1.58484 -0.63554 1.13100 -0.64046 3.16964
|
|
312 9PY -1.02534 -0.41451 1.37562 0.55743 1.09611
|
|
313 9PZ 0.50546 1.99600 1.36103 0.33276 4.89669
|
|
314 10D 0 0.00767 -0.01762 -0.04658 -0.00235 0.04185
|
|
315 10D+1 0.02690 0.01316 -0.03005 -0.03434 0.03111
|
|
316 10D-1 0.03082 -0.00051 0.00292 0.00317 0.04923
|
|
317 10D+2 -0.00159 0.00311 -0.01461 -0.02221 -0.01642
|
|
318 10D-2 0.01764 -0.00186 -0.00094 -0.00404 0.03023
|
|
319 11D 0 -0.06378 0.05251 0.28765 -0.01110 -0.45766
|
|
320 11D+1 -0.17124 -0.13673 0.14618 0.25189 -0.42766
|
|
321 11D-1 -0.21939 -0.02677 -0.06283 -0.04054 -0.49733
|
|
322 11D+2 0.01850 -0.03460 0.09363 0.16676 0.07347
|
|
323 11D-2 -0.11541 -0.00491 -0.03833 0.04197 -0.28347
|
|
324 12D 0 -1.03722 -1.11504 0.53467 -0.10602 -1.12359
|
|
325 12D+1 0.21959 0.18431 0.07725 0.70113 -1.52145
|
|
326 12D-1 0.41865 -0.27169 0.03345 0.14625 -0.77242
|
|
327 12D+2 0.20651 0.22532 0.04773 0.46664 -0.56961
|
|
328 12D-2 0.51133 0.07817 0.06731 0.06582 -0.46859
|
|
329 13F 0 0.00579 0.00826 0.01074 0.00395 0.00238
|
|
330 13F+1 -0.00514 0.00725 0.00444 -0.00143 0.02554
|
|
331 13F-1 -0.00484 0.00825 0.00397 0.00474 0.01994
|
|
332 13F+2 -0.00142 0.00265 0.00812 0.00505 0.00004
|
|
333 13F-2 0.00382 0.00278 0.02279 0.00478 0.00794
|
|
334 13F+3 0.01011 -0.00893 0.00265 0.00388 0.01105
|
|
335 13F-3 -0.00958 0.00955 -0.00440 -0.01154 0.02372
|
|
336 14F 0 0.07576 -0.00063 -0.25172 0.05678 0.08720
|
|
337 14F+1 0.16221 -0.00769 -0.15176 -0.11508 0.13459
|
|
338 14F-1 0.14598 -0.00737 -0.08121 0.01007 0.14504
|
|
339 14F+2 0.00170 -0.03656 -0.14613 -0.21721 0.02037
|
|
340 14F-2 0.00766 -0.03348 -0.13135 -0.08814 0.23339
|
|
341 14F+3 -0.06687 0.06474 -0.07542 -0.07487 -0.13269
|
|
342 14F-3 0.05272 -0.09356 0.00546 0.01364 -0.09541
|
|
343 15G 0 -0.00480 -0.00275 0.00313 -0.00319 0.00141
|
|
344 15G+1 -0.01109 0.00080 0.00517 0.00061 -0.00664
|
|
345 15G-1 -0.00652 -0.00324 0.00602 -0.00096 -0.00639
|
|
346 15G+2 -0.00361 0.00447 0.00166 0.00823 -0.00019
|
|
347 15G-2 -0.00253 0.00055 0.00006 -0.00025 -0.01186
|
|
348 15G+3 -0.00281 0.00135 0.00418 0.00231 0.00487
|
|
349 15G-3 0.00060 0.00378 0.00376 0.00324 -0.00585
|
|
350 15G+4 -0.00122 -0.00006 0.00027 -0.00195 0.00111
|
|
351 15G-4 -0.00042 0.00068 0.00404 0.00113 0.00029
|
|
352 6 H 1S -0.00233 0.00094 -0.02088 0.01088 -0.00882
|
|
353 2S 0.12270 0.22506 -0.19648 0.01278 -1.17739
|
|
354 3S -3.17895 -3.63121 -2.54614 3.04490 18.09299
|
|
355 4S 2.40429 -1.75708 6.66082 -1.62833 12.59097
|
|
356 5S -0.11862 0.18916 -0.45848 0.14244 -0.48014
|
|
357 6PX -0.01293 -0.02182 0.01438 -0.01611 -0.00913
|
|
358 6PY -0.01500 -0.00114 0.01589 -0.00802 0.01224
|
|
359 6PZ -0.02105 -0.01539 -0.03749 0.01676 -0.00335
|
|
360 7PX 0.04870 0.11337 -0.11866 0.14599 0.10736
|
|
361 7PY 0.05520 0.00415 -0.09622 0.04926 -0.00581
|
|
362 7PZ 0.17249 0.09473 0.30632 -0.13392 -0.10704
|
|
363 8PX 0.01632 -0.03124 0.70193 -2.03952 -3.61047
|
|
364 8PY 0.14999 0.39263 0.13267 -0.26396 -2.46699
|
|
365 8PZ -1.96546 -1.69744 -2.52182 1.31486 6.73067
|
|
366 9PX -1.58484 -0.63554 -1.13100 -0.64046 -3.16964
|
|
367 9PY -1.02534 -0.41451 -1.37562 0.55743 -1.09611
|
|
368 9PZ -0.50546 -1.99600 1.36103 -0.33276 4.89669
|
|
369 10D 0 0.00767 -0.01762 0.04658 -0.00235 -0.04185
|
|
370 10D+1 -0.02690 -0.01316 -0.03005 0.03434 0.03111
|
|
371 10D-1 -0.03082 0.00051 0.00292 -0.00317 0.04923
|
|
372 10D+2 -0.00159 0.00311 0.01461 -0.02221 0.01642
|
|
373 10D-2 0.01764 -0.00186 0.00094 -0.00404 -0.03023
|
|
374 11D 0 -0.06378 0.05251 -0.28765 -0.01110 0.45766
|
|
375 11D+1 0.17124 0.13673 0.14618 -0.25189 -0.42766
|
|
376 11D-1 0.21939 0.02677 -0.06283 0.04054 -0.49733
|
|
377 11D+2 0.01850 -0.03460 -0.09363 0.16676 -0.07347
|
|
378 11D-2 -0.11541 -0.00491 0.03833 0.04197 0.28347
|
|
379 12D 0 -1.03722 -1.11504 -0.53467 -0.10602 1.12359
|
|
380 12D+1 -0.21959 -0.18431 0.07725 -0.70113 -1.52145
|
|
381 12D-1 -0.41865 0.27169 0.03345 -0.14625 -0.77242
|
|
382 12D+2 0.20651 0.22532 -0.04773 0.46664 0.56961
|
|
383 12D-2 0.51133 0.07817 -0.06731 0.06582 0.46859
|
|
384 13F 0 -0.00579 -0.00826 0.01074 -0.00395 0.00238
|
|
385 13F+1 -0.00514 0.00725 -0.00444 -0.00143 -0.02554
|
|
386 13F-1 -0.00484 0.00825 -0.00397 0.00474 -0.01994
|
|
387 13F+2 0.00142 -0.00265 0.00812 -0.00505 0.00004
|
|
388 13F-2 -0.00382 -0.00278 0.02279 -0.00478 0.00794
|
|
389 13F+3 0.01011 -0.00893 -0.00265 0.00388 -0.01105
|
|
390 13F-3 -0.00958 0.00955 0.00440 -0.01154 -0.02372
|
|
391 14F 0 -0.07576 0.00063 -0.25172 -0.05678 0.08720
|
|
392 14F+1 0.16221 -0.00769 0.15176 -0.11508 -0.13459
|
|
393 14F-1 0.14598 -0.00737 0.08121 0.01007 -0.14504
|
|
394 14F+2 -0.00170 0.03656 -0.14613 0.21721 0.02037
|
|
395 14F-2 -0.00766 0.03348 -0.13135 0.08814 0.23339
|
|
396 14F+3 -0.06687 0.06474 0.07542 -0.07487 0.13269
|
|
397 14F-3 0.05272 -0.09356 -0.00546 0.01364 0.09541
|
|
398 15G 0 -0.00480 -0.00275 -0.00313 -0.00319 -0.00141
|
|
399 15G+1 0.01109 -0.00080 0.00517 -0.00061 -0.00664
|
|
400 15G-1 0.00652 0.00324 0.00602 0.00096 -0.00639
|
|
401 15G+2 -0.00361 0.00447 -0.00166 0.00823 0.00019
|
|
402 15G-2 -0.00253 0.00055 -0.00006 -0.00025 0.01186
|
|
403 15G+3 0.00281 -0.00135 0.00418 -0.00231 0.00487
|
|
404 15G-3 -0.00060 -0.00378 0.00376 -0.00324 -0.00585
|
|
405 15G+4 -0.00122 -0.00006 -0.00027 -0.00195 -0.00111
|
|
406 15G-4 -0.00042 0.00068 -0.00404 0.00113 -0.00029
|
|
141 142 143 144 145
|
|
V V V V V
|
|
Eigenvalues -- 3.69784 3.73683 3.74467 3.76610 3.76671
|
|
1 1 C 1S 0.01728 0.00000 -0.02088 0.00000 -0.00722
|
|
2 2S 0.01823 0.00000 0.00766 0.00000 -0.00632
|
|
3 3S 0.32201 0.00000 -0.26727 0.00000 -0.12773
|
|
4 4S -1.13897 0.00000 1.71331 0.00000 0.80788
|
|
5 5S -1.21334 0.00000 -1.01768 0.00000 -1.16095
|
|
6 6S -0.18680 0.00000 -0.22129 0.00000 0.24825
|
|
7 7PX 0.04281 0.00000 -0.00137 0.00000 -0.00300
|
|
8 7PY 0.02212 0.00000 -0.01273 0.00000 -0.02399
|
|
9 7PZ 0.00000 0.00209 0.00000 -0.01011 0.00000
|
|
10 8PX -1.39763 0.00000 -0.65941 0.00000 -2.53239
|
|
11 8PY 0.26591 0.00000 -0.60886 0.00000 -0.53721
|
|
12 8PZ 0.00000 -0.88793 0.00000 -0.38640 0.00000
|
|
13 9PX 11.87996 0.00000 7.21941 0.00000 23.91104
|
|
14 9PY -1.25732 0.00000 3.50875 0.00000 3.22325
|
|
15 9PZ 0.00000 8.89300 0.00000 4.38002 0.00000
|
|
16 10PX 19.11657 0.00000 4.20150 0.00000 16.22304
|
|
17 10PY 0.66408 0.00000 3.97253 0.00000 1.35341
|
|
18 10PZ 0.00000 6.22338 0.00000 0.42906 0.00000
|
|
19 11PX -0.09358 0.00000 0.00723 0.00000 0.27352
|
|
20 11PY -0.21753 0.00000 0.08772 0.00000 -0.02020
|
|
21 11PZ 0.00000 -0.01396 0.00000 -0.04047 0.00000
|
|
22 12D 0 -0.03072 0.00000 -0.02943 0.00000 -0.06263
|
|
23 12D+1 0.00000 -0.02467 0.00000 -0.01247 0.00000
|
|
24 12D-1 0.00000 -0.02057 0.00000 -0.00946 0.00000
|
|
25 12D+2 0.02274 0.00000 0.01240 0.00000 0.03897
|
|
26 12D-2 -0.03408 0.00000 -0.03184 0.00000 -0.04142
|
|
27 13D 0 -0.05106 0.00000 0.03872 0.00000 -0.00403
|
|
28 13D+1 0.00000 -0.02979 0.00000 -0.02581 0.00000
|
|
29 13D-1 0.00000 -0.01373 0.00000 0.02693 0.00000
|
|
30 13D+2 0.09201 0.00000 0.03427 0.00000 -0.03704
|
|
31 13D-2 -0.05334 0.00000 0.09884 0.00000 0.10195
|
|
32 14D 0 3.23519 0.00000 3.25525 0.00000 8.82587
|
|
33 14D+1 0.00000 3.31970 0.00000 2.04358 0.00000
|
|
34 14D-1 0.00000 3.08543 0.00000 1.46351 0.00000
|
|
35 14D+2 -3.09149 0.00000 -2.35158 0.00000 -5.69067
|
|
36 14D-2 3.53181 0.00000 1.85966 0.00000 6.31913
|
|
37 15D 0 4.87333 0.00000 0.61125 0.00000 2.78799
|
|
38 15D+1 0.00000 1.65960 0.00000 0.35759 0.00000
|
|
39 15D-1 0.00000 2.00054 0.00000 1.45727 0.00000
|
|
40 15D+2 -2.91367 0.00000 -0.22825 0.00000 -2.47160
|
|
41 15D-2 -0.07415 0.00000 1.00702 0.00000 4.08416
|
|
42 16F 0 0.00000 -0.06753 0.00000 0.04294 0.00000
|
|
43 16F+1 -0.00941 0.00000 -0.00447 0.00000 0.00265
|
|
44 16F-1 -0.06394 0.00000 -0.02027 0.00000 -0.04038
|
|
45 16F+2 0.00000 0.02974 0.00000 -0.04149 0.00000
|
|
46 16F-2 0.00000 -0.03238 0.00000 -0.01328 0.00000
|
|
47 16F+3 -0.05391 0.00000 -0.02182 0.00000 -0.02244
|
|
48 16F-3 0.03465 0.00000 0.01660 0.00000 0.04838
|
|
49 17F 0 0.00000 0.74172 0.00000 -0.43109 0.00000
|
|
50 17F+1 -0.03275 0.00000 0.15081 0.00000 0.06033
|
|
51 17F-1 0.60396 0.00000 0.42475 0.00000 0.85722
|
|
52 17F+2 0.00000 -0.29067 0.00000 0.43454 0.00000
|
|
53 17F-2 0.00000 0.49601 0.00000 0.29093 0.00000
|
|
54 17F+3 0.67892 0.00000 0.30744 0.00000 0.58623
|
|
55 17F-3 -0.47911 0.00000 -0.20826 0.00000 -0.71675
|
|
56 18F 0 0.00000 1.88030 0.00000 -0.84627 0.00000
|
|
57 18F+1 -0.09028 0.00000 -0.84910 0.00000 0.21338
|
|
58 18F-1 0.15902 0.00000 1.04152 0.00000 1.77583
|
|
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317 10D+2 -0.00414 0.02336 0.02131 -0.01818 0.00621
|
|
318 10D-2 -0.00392 0.03203 0.00342 -0.02316 0.00639
|
|
319 11D 0 -0.24187 0.08565 -0.07477 -0.38921 -0.21563
|
|
320 11D+1 -0.06531 -0.46582 -0.26349 0.06359 -0.34567
|
|
321 11D-1 -0.13054 -0.08348 -0.01076 -0.12713 -0.38235
|
|
322 11D+2 0.02483 -0.18582 -0.16004 0.12622 -0.04445
|
|
323 11D-2 -0.00058 -0.24870 -0.05016 0.12923 -0.11395
|
|
324 12D 0 -0.53770 0.08422 -0.53430 -0.65631 -1.24068
|
|
325 12D+1 0.00341 -0.96106 -0.67311 0.04988 -0.67981
|
|
326 12D-1 -0.23886 -0.48244 0.00613 -0.35409 -0.80157
|
|
327 12D+2 0.36079 -0.26758 -0.36089 0.28418 0.07408
|
|
328 12D-2 -0.08468 -0.43080 -0.15849 -0.05212 -0.34354
|
|
329 13F 0 -0.00468 0.00737 0.00221 -0.00516 0.00494
|
|
330 13F+1 0.01561 0.01561 -0.00316 0.00320 0.01346
|
|
331 13F-1 0.01635 0.01330 0.00624 -0.00857 0.00365
|
|
332 13F+2 0.00484 -0.00662 0.01812 0.01866 0.00227
|
|
333 13F-2 0.00213 -0.00199 0.00814 0.01018 0.00119
|
|
334 13F+3 0.00234 0.00863 -0.02627 -0.01777 -0.01133
|
|
335 13F-3 0.01372 -0.00240 -0.01515 -0.00840 0.00706
|
|
336 14F 0 0.17635 -0.31073 0.00285 0.34061 0.03677
|
|
337 14F+1 -0.04481 0.10005 0.18211 0.04631 0.13197
|
|
338 14F-1 0.01584 -0.04334 -0.02328 0.15056 0.20077
|
|
339 14F+2 -0.12231 0.24045 0.04398 -0.27392 -0.01471
|
|
340 14F-2 -0.01798 0.19255 0.03000 -0.06792 0.18239
|
|
341 14F+3 -0.03672 -0.00796 0.22767 0.03471 0.04903
|
|
342 14F-3 -0.14967 0.09689 0.18458 0.01186 -0.01337
|
|
343 15G 0 -0.00321 0.01800 0.00006 -0.01421 0.00007
|
|
344 15G+1 -0.00282 -0.00065 -0.00314 -0.00774 -0.00868
|
|
345 15G-1 -0.00444 0.00100 -0.00344 -0.00152 -0.00483
|
|
346 15G+2 0.00388 -0.00347 -0.00742 0.00341 -0.00133
|
|
347 15G-2 -0.00045 -0.00609 -0.00467 -0.00156 -0.00927
|
|
348 15G+3 0.00275 -0.00614 -0.00272 0.01158 0.00486
|
|
349 15G-3 0.00602 -0.00233 -0.00542 0.00096 -0.00287
|
|
350 15G+4 -0.00098 -0.00449 0.00096 0.00498 0.00237
|
|
351 15G-4 0.00157 -0.00430 -0.00253 0.00535 -0.00146
|
|
352 6 H 1S 0.01399 -0.00396 0.00085 0.00249 0.00743
|
|
353 2S 0.55262 -0.63744 0.34467 -0.27831 0.75313
|
|
354 3S -5.96216 7.84278 -3.97513 3.74626 -12.03990
|
|
355 4S -7.91166 6.11669 -3.72676 1.45263 -8.90795
|
|
356 5S 0.67974 -0.31619 0.15753 -0.06993 0.24246
|
|
357 6PX -0.02172 -0.00091 -0.00162 -0.00211 -0.01090
|
|
358 6PY -0.00218 -0.00054 -0.00265 -0.00139 -0.00511
|
|
359 6PZ 0.01493 -0.00826 -0.00248 0.00265 -0.00279
|
|
360 7PX 0.13879 0.08272 -0.03406 -0.01069 0.02089
|
|
361 7PY 0.01280 0.02311 0.01267 0.01585 -0.00991
|
|
362 7PZ -0.06916 0.01788 0.05202 -0.07719 0.09095
|
|
363 8PX -0.16108 -2.93887 1.57003 0.48119 2.09010
|
|
364 8PY 0.76765 -1.43240 -0.04792 -0.68582 1.99743
|
|
365 8PZ -2.00280 1.95239 -1.73083 2.18918 -4.67967
|
|
366 9PX 1.32264 -1.82361 1.00436 0.11143 1.16676
|
|
367 9PY 1.54641 -0.94910 -0.09755 -0.09961 1.25024
|
|
368 9PZ -2.12877 2.01845 -1.87667 1.05140 -3.97289
|
|
369 10D 0 0.01943 0.02211 0.00629 -0.05077 0.01321
|
|
370 10D+1 0.00439 0.05191 -0.02904 -0.01329 -0.03100
|
|
371 10D-1 -0.00504 0.00012 0.00170 0.01641 -0.04052
|
|
372 10D+2 -0.00414 -0.02336 0.02131 0.01818 0.00621
|
|
373 10D-2 -0.00392 -0.03203 0.00342 0.02316 0.00639
|
|
374 11D 0 -0.24187 -0.08565 -0.07477 0.38921 -0.21563
|
|
375 11D+1 0.06531 -0.46582 0.26349 0.06359 0.34567
|
|
376 11D-1 0.13054 -0.08348 0.01076 -0.12713 0.38235
|
|
377 11D+2 0.02483 0.18582 -0.16004 -0.12622 -0.04445
|
|
378 11D-2 -0.00058 0.24870 -0.05016 -0.12923 -0.11395
|
|
379 12D 0 -0.53770 -0.08422 -0.53430 0.65631 -1.24068
|
|
380 12D+1 -0.00341 -0.96106 0.67311 0.04988 0.67981
|
|
381 12D-1 0.23886 -0.48244 -0.00613 -0.35409 0.80157
|
|
382 12D+2 0.36079 0.26758 -0.36089 -0.28418 0.07408
|
|
383 12D-2 -0.08468 0.43080 -0.15849 0.05212 -0.34354
|
|
384 13F 0 0.00468 0.00737 -0.00221 -0.00516 -0.00494
|
|
385 13F+1 0.01561 -0.01561 -0.00316 -0.00320 0.01346
|
|
386 13F-1 0.01635 -0.01330 0.00624 0.00857 0.00365
|
|
387 13F+2 -0.00484 -0.00662 -0.01812 0.01866 -0.00227
|
|
388 13F-2 -0.00213 -0.00199 -0.00814 0.01018 -0.00119
|
|
389 13F+3 0.00234 -0.00863 -0.02627 0.01777 -0.01133
|
|
390 13F-3 0.01372 0.00240 -0.01515 0.00840 0.00706
|
|
391 14F 0 -0.17635 -0.31073 -0.00285 0.34061 -0.03677
|
|
392 14F+1 -0.04481 -0.10005 0.18211 -0.04631 0.13197
|
|
393 14F-1 0.01584 0.04334 -0.02328 -0.15056 0.20077
|
|
394 14F+2 0.12231 0.24045 -0.04398 -0.27392 0.01471
|
|
395 14F-2 0.01798 0.19255 -0.03000 -0.06792 -0.18239
|
|
396 14F+3 -0.03672 0.00796 0.22767 -0.03471 0.04903
|
|
397 14F-3 -0.14967 -0.09689 0.18458 -0.01186 -0.01337
|
|
398 15G 0 -0.00321 -0.01800 0.00006 0.01421 0.00007
|
|
399 15G+1 0.00282 -0.00065 0.00314 -0.00774 0.00868
|
|
400 15G-1 0.00444 0.00100 0.00344 -0.00152 0.00483
|
|
401 15G+2 0.00388 0.00347 -0.00742 -0.00341 -0.00133
|
|
402 15G-2 -0.00045 0.00609 -0.00467 0.00156 -0.00927
|
|
403 15G+3 -0.00275 -0.00614 0.00272 0.01158 -0.00486
|
|
404 15G-3 -0.00602 -0.00233 0.00542 0.00096 0.00287
|
|
405 15G+4 -0.00098 0.00449 0.00096 -0.00498 0.00237
|
|
406 15G-4 0.00157 0.00430 -0.00253 -0.00535 -0.00146
|
|
146 147 148 149 150
|
|
V V V V V
|
|
Eigenvalues -- 3.80025 3.83472 3.85392 3.87259 3.94926
|
|
1 1 C 1S 0.00085 0.00000 -0.02466 0.00000 -0.01066
|
|
2 2S -0.02068 0.00000 0.01478 0.00000 0.05663
|
|
3 3S 0.09885 0.00000 -0.04376 0.00000 0.01867
|
|
4 4S -4.69645 0.00000 -3.92343 0.00000 2.94716
|
|
5 5S 18.42024 0.00000 22.58733 0.00000 -8.45895
|
|
6 6S 2.94338 0.00000 4.87031 0.00000 1.69423
|
|
7 7PX 0.00285 0.00000 0.00307 0.00000 -0.01432
|
|
8 7PY 0.01877 0.00000 0.00765 0.00000 0.01496
|
|
9 7PZ 0.00000 0.00631 0.00000 0.01116 0.00000
|
|
10 8PX -0.20371 0.00000 1.11316 0.00000 -0.86887
|
|
11 8PY -0.52530 0.00000 -0.64445 0.00000 -0.04843
|
|
12 8PZ 0.00000 -2.36526 0.00000 -0.49257 0.00000
|
|
13 9PX 2.55484 0.00000 -10.96299 0.00000 7.27984
|
|
14 9PY 3.86980 0.00000 4.35377 0.00000 1.05557
|
|
15 9PZ 0.00000 22.58794 0.00000 6.83750 0.00000
|
|
16 10PX 2.96323 0.00000 -7.88720 0.00000 5.98091
|
|
17 10PY -1.16912 0.00000 -0.27960 0.00000 -0.26512
|
|
18 10PZ 0.00000 22.69045 0.00000 5.63085 0.00000
|
|
19 11PX -0.16866 0.00000 -0.08077 0.00000 0.19892
|
|
20 11PY -0.00695 0.00000 -0.05572 0.00000 -0.16383
|
|
21 11PZ 0.00000 0.21247 0.00000 -0.01412 0.00000
|
|
22 12D 0 -0.01303 0.00000 0.02126 0.00000 -0.02129
|
|
23 12D+1 0.00000 -0.07092 0.00000 -0.02624 0.00000
|
|
24 12D-1 0.00000 -0.05746 0.00000 -0.01672 0.00000
|
|
25 12D+2 -0.00203 0.00000 -0.03229 0.00000 0.01487
|
|
26 12D-2 -0.00125 0.00000 0.01482 0.00000 -0.00905
|
|
27 13D 0 -0.05811 0.00000 0.03507 0.00000 0.08352
|
|
28 13D+1 0.00000 0.04316 0.00000 0.05444 0.00000
|
|
29 13D-1 0.00000 -0.15499 0.00000 -0.19325 0.00000
|
|
30 13D+2 -0.02378 0.00000 0.02491 0.00000 0.10832
|
|
31 13D-2 -0.01865 0.00000 0.04862 0.00000 -0.06102
|
|
32 14D 0 1.31855 0.00000 -3.50986 0.00000 0.77244
|
|
33 14D+1 0.00000 6.99462 0.00000 2.73530 0.00000
|
|
34 14D-1 0.00000 6.77479 0.00000 4.21538 0.00000
|
|
35 14D+2 0.48207 0.00000 2.55938 0.00000 -3.43682
|
|
36 14D-2 0.57999 0.00000 -2.63060 0.00000 1.07493
|
|
37 15D 0 -0.23507 0.00000 -1.60000 0.00000 0.74612
|
|
38 15D+1 0.00000 4.94078 0.00000 0.75827 0.00000
|
|
39 15D-1 0.00000 2.68588 0.00000 1.68178 0.00000
|
|
40 15D+2 -0.87043 0.00000 0.05517 0.00000 -2.23626
|
|
41 15D-2 0.48643 0.00000 -1.89861 0.00000 0.99485
|
|
42 16F 0 0.00000 -0.03677 0.00000 -0.01149 0.00000
|
|
43 16F+1 -0.04788 0.00000 -0.04695 0.00000 -0.00223
|
|
44 16F-1 -0.01372 0.00000 0.02000 0.00000 -0.00018
|
|
45 16F+2 0.00000 -0.04395 0.00000 0.00888 0.00000
|
|
46 16F-2 0.00000 -0.09272 0.00000 -0.06918 0.00000
|
|
47 16F+3 -0.00612 0.00000 0.03818 0.00000 -0.03201
|
|
48 16F-3 -0.00281 0.00000 -0.02174 0.00000 0.02096
|
|
49 17F 0 0.00000 0.47987 0.00000 0.13203 0.00000
|
|
50 17F+1 0.39499 0.00000 0.36814 0.00000 -0.08488
|
|
51 17F-1 0.12518 0.00000 -0.39916 0.00000 0.08439
|
|
52 17F+2 0.00000 0.49790 0.00000 -0.10303 0.00000
|
|
53 17F-2 0.00000 1.30304 0.00000 0.80525 0.00000
|
|
54 17F+3 0.05901 0.00000 -0.44896 0.00000 0.36711
|
|
55 17F-3 -0.05127 0.00000 0.30657 0.00000 -0.28063
|
|
56 18F 0 0.00000 0.76702 0.00000 -0.17482 0.00000
|
|
57 18F+1 1.91415 0.00000 0.60496 0.00000 -2.38068
|
|
58 18F-1 1.43607 0.00000 1.23299 0.00000 -0.42443
|
|
59 18F+2 0.00000 0.79647 0.00000 -1.05632 0.00000
|
|
60 18F-2 0.00000 0.47671 0.00000 0.48214 0.00000
|
|
61 18F+3 -0.20259 0.00000 -1.56126 0.00000 1.83542
|
|
62 18F-3 1.64722 0.00000 1.97314 0.00000 0.09597
|
|
63 19G 0 -0.00586 0.00000 0.00160 0.00000 0.00570
|
|
64 19G+1 0.00000 0.04190 0.00000 0.05049 0.00000
|
|
65 19G-1 0.00000 0.05463 0.00000 0.00690 0.00000
|
|
66 19G+2 -0.01721 0.00000 -0.01725 0.00000 0.01357
|
|
67 19G-2 -0.03872 0.00000 -0.05975 0.00000 0.03154
|
|
68 19G+3 0.00000 -0.02907 0.00000 -0.02671 0.00000
|
|
69 19G-3 0.00000 0.02876 0.00000 -0.00846 0.00000
|
|
70 19G+4 -0.02641 0.00000 -0.00933 0.00000 0.01728
|
|
71 19G-4 0.04183 0.00000 -0.02537 0.00000 0.03261
|
|
72 20G 0 -0.11775 0.00000 0.19063 0.00000 -0.67096
|
|
73 20G+1 0.00000 1.38310 0.00000 -0.44300 0.00000
|
|
74 20G-1 0.00000 0.60644 0.00000 0.32827 0.00000
|
|
75 20G+2 0.21109 0.00000 -0.70855 0.00000 0.04299
|
|
76 20G-2 0.85733 0.00000 0.87477 0.00000 -0.05357
|
|
77 20G+3 0.00000 -0.29279 0.00000 -0.23034 0.00000
|
|
78 20G-3 0.00000 0.61752 0.00000 0.21152 0.00000
|
|
79 20G+4 -0.02439 0.00000 0.12379 0.00000 -0.82253
|
|
80 20G-4 -0.46241 0.00000 -0.57646 0.00000 -0.12070
|
|
81 21H 0 0.00000 -0.02738 0.00000 -0.05930 0.00000
|
|
82 21H+1 0.00184 0.00000 -0.06604 0.00000 -0.03966
|
|
83 21H-1 0.00205 0.00000 0.01101 0.00000 -0.02832
|
|
84 21H+2 0.00000 -0.00005 0.00000 -0.04952 0.00000
|
|
85 21H-2 0.00000 0.17517 0.00000 0.02855 0.00000
|
|
86 21H+3 -0.02875 0.00000 -0.04243 0.00000 -0.08347
|
|
87 21H-3 0.02322 0.00000 -0.04906 0.00000 0.02198
|
|
88 21H+4 0.00000 -0.01011 0.00000 -0.04509 0.00000
|
|
89 21H-4 0.00000 -0.02146 0.00000 -0.00097 0.00000
|
|
90 21H+5 0.01672 0.00000 0.01564 0.00000 0.06534
|
|
91 21H-5 0.01448 0.00000 0.05751 0.00000 -0.01320
|
|
92 2 S 1S 0.00556 0.00000 0.01641 0.00000 0.01339
|
|
93 2S -0.01018 0.00000 -0.01273 0.00000 -0.01602
|
|
94 3S 0.01957 0.00000 0.14930 0.00000 0.10321
|
|
95 4S -0.16378 0.00000 0.17715 0.00000 0.02767
|
|
96 5S 0.74699 0.00000 0.11326 0.00000 -0.09687
|
|
97 6S -2.16304 0.00000 -0.03374 0.00000 0.76860
|
|
98 7S -1.96868 0.00000 -0.60245 0.00000 -0.71566
|
|
99 8PX -0.01456 0.00000 -0.00110 0.00000 -0.01635
|
|
100 8PY 0.01277 0.00000 -0.00114 0.00000 -0.03219
|
|
101 8PZ 0.00000 0.00500 0.00000 0.00824 0.00000
|
|
102 9PX 0.06892 0.00000 -0.03974 0.00000 0.04894
|
|
103 9PY -0.05299 0.00000 -0.00363 0.00000 0.10118
|
|
104 9PZ 0.00000 -0.05138 0.00000 -0.02823 0.00000
|
|
105 10PX 0.11502 0.00000 -0.22242 0.00000 0.10372
|
|
106 10PY -0.09918 0.00000 0.01977 0.00000 0.27624
|
|
107 10PZ 0.00000 -0.24339 0.00000 -0.07625 0.00000
|
|
108 11PX 0.11621 0.00000 0.46312 0.00000 0.09754
|
|
109 11PY -0.19190 0.00000 -0.04238 0.00000 0.16201
|
|
110 11PZ 0.00000 0.62838 0.00000 -0.14769 0.00000
|
|
111 12PX 1.40881 0.00000 2.37110 0.00000 1.19155
|
|
112 12PY -4.12707 0.00000 -4.70318 0.00000 -1.14889
|
|
113 12PZ 0.00000 -1.38681 0.00000 0.78439 0.00000
|
|
114 13PX -0.36139 0.00000 0.15361 0.00000 0.13378
|
|
115 13PY -0.03840 0.00000 -0.30619 0.00000 -0.25486
|
|
116 13PZ 0.00000 0.06496 0.00000 -0.01300 0.00000
|
|
117 14D 0 0.54078 0.00000 -0.02925 0.00000 -0.12965
|
|
118 14D+1 0.00000 -0.06397 0.00000 0.23564 0.00000
|
|
119 14D-1 0.00000 -0.59749 0.00000 0.23658 0.00000
|
|
120 14D+2 1.20297 0.00000 2.74990 0.00000 0.70053
|
|
121 14D-2 -0.53653 0.00000 -1.42617 0.00000 0.35083
|
|
122 15D 0 -0.39926 0.00000 0.61852 0.00000 -0.31443
|
|
123 15D+1 0.00000 -0.53436 0.00000 0.69716 0.00000
|
|
124 15D-1 0.00000 -0.65705 0.00000 -0.31391 0.00000
|
|
125 15D+2 1.77789 0.00000 0.65211 0.00000 -0.01582
|
|
126 15D-2 -0.33109 0.00000 -0.17400 0.00000 -0.82378
|
|
127 16D 0 0.20914 0.00000 -0.49444 0.00000 0.03148
|
|
128 16D+1 0.00000 0.39686 0.00000 -0.42446 0.00000
|
|
129 16D-1 0.00000 0.59311 0.00000 0.09089 0.00000
|
|
130 16D+2 -0.79549 0.00000 -0.18554 0.00000 -0.04295
|
|
131 16D-2 0.07030 0.00000 -0.10568 0.00000 0.60978
|
|
132 17D 0 0.01570 0.00000 -0.06061 0.00000 -0.01768
|
|
133 17D+1 0.00000 0.03309 0.00000 -0.02548 0.00000
|
|
134 17D-1 0.00000 0.05401 0.00000 -0.00705 0.00000
|
|
135 17D+2 -0.07556 0.00000 -0.00809 0.00000 -0.02600
|
|
136 17D-2 0.00322 0.00000 -0.03685 0.00000 0.06686
|
|
137 18F 0 0.00000 0.22111 0.00000 -0.31170 0.00000
|
|
138 18F+1 -0.33671 0.00000 -0.16984 0.00000 -0.02610
|
|
139 18F-1 0.42648 0.00000 0.53851 0.00000 0.08083
|
|
140 18F+2 0.00000 0.35439 0.00000 0.15363 0.00000
|
|
141 18F-2 0.00000 -0.21521 0.00000 -0.17361 0.00000
|
|
142 18F+3 0.42298 0.00000 0.76698 0.00000 -0.22587
|
|
143 18F-3 -0.22573 0.00000 0.43984 0.00000 0.13382
|
|
144 19F 0 0.00000 0.12497 0.00000 -0.03979 0.00000
|
|
145 19F+1 -0.30397 0.00000 0.02822 0.00000 -0.10417
|
|
146 19F-1 0.04486 0.00000 0.05624 0.00000 -0.12859
|
|
147 19F+2 0.00000 0.06956 0.00000 0.26833 0.00000
|
|
148 19F-2 0.00000 -0.01073 0.00000 -0.10038 0.00000
|
|
149 19F+3 0.00582 0.00000 -0.02569 0.00000 -0.04851
|
|
150 19F-3 -0.29665 0.00000 -0.41014 0.00000 -0.35907
|
|
151 20F 0 0.00000 0.04416 0.00000 -0.04639 0.00000
|
|
152 20F+1 -0.04015 0.00000 0.05740 0.00000 0.05545
|
|
153 20F-1 0.03049 0.00000 0.07936 0.00000 0.08262
|
|
154 20F+2 0.00000 0.04767 0.00000 -0.01464 0.00000
|
|
155 20F-2 0.00000 -0.03962 0.00000 -0.02384 0.00000
|
|
156 20F+3 0.13707 0.00000 -0.12351 0.00000 0.07373
|
|
157 20F-3 0.06510 0.00000 0.15470 0.00000 0.05229
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405 15G+4 0.00205 -0.00151 0.00082 0.00252 -0.00523
|
|
406 15G-4 -0.00108 -0.00142 -0.00086 0.00647 0.00092
|
|
151 152 153 154 155
|
|
V V V V V
|
|
Eigenvalues -- 3.96789 3.97295 3.98454 4.07164 4.11896
|
|
1 1 C 1S -0.02733 0.00000 0.00000 -0.05172 -0.06460
|
|
2 2S -0.04174 0.00000 0.00000 -0.03851 -0.04188
|
|
3 3S -0.37494 0.00000 0.00000 -0.73541 -1.00946
|
|
4 4S -2.54182 0.00000 0.00000 -1.02966 1.54710
|
|
5 5S 21.50912 0.00000 0.00000 24.55399 18.66017
|
|
6 6S 3.84532 0.00000 0.00000 4.31844 3.09500
|
|
7 7PX -0.00511 0.00000 0.00000 -0.00097 -0.01248
|
|
8 7PY -0.00863 0.00000 0.00000 0.00862 0.01013
|
|
9 7PZ 0.00000 0.01196 -0.01817 0.00000 0.00000
|
|
10 8PX -0.98939 0.00000 0.00000 -0.09881 -0.41937
|
|
11 8PY -0.46869 0.00000 0.00000 -0.54452 -0.54458
|
|
12 8PZ 0.00000 -0.03148 -0.66057 0.00000 0.00000
|
|
13 9PX 9.39160 0.00000 0.00000 2.52903 -0.34364
|
|
14 9PY 3.38265 0.00000 0.00000 4.67252 4.66295
|
|
15 9PZ 0.00000 1.56783 6.99838 0.00000 0.00000
|
|
16 10PX 11.38320 0.00000 0.00000 -1.96261 0.86752
|
|
17 10PY 5.70035 0.00000 0.00000 7.28676 8.45634
|
|
18 10PZ 0.00000 -2.96054 -2.21914 0.00000 0.00000
|
|
19 11PX 0.48664 0.00000 0.00000 -0.21072 -0.14407
|
|
20 11PY 0.21825 0.00000 0.00000 0.20584 0.24864
|
|
21 11PZ 0.00000 -0.23929 -0.11495 0.00000 0.00000
|
|
22 12D 0 -0.03935 0.00000 0.00000 -0.00713 0.00856
|
|
23 12D+1 0.00000 0.00701 -0.01335 0.00000 0.00000
|
|
24 12D-1 0.00000 -0.00107 -0.00836 0.00000 0.00000
|
|
25 12D+2 0.02088 0.00000 0.00000 -0.00552 -0.01324
|
|
26 12D-2 -0.01484 0.00000 0.00000 -0.01880 -0.00286
|
|
27 13D 0 0.11075 0.00000 0.00000 -0.26146 0.02355
|
|
28 13D+1 0.00000 -0.20407 -0.14704 0.00000 0.00000
|
|
29 13D-1 0.00000 0.25500 0.13067 0.00000 0.00000
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|
30 13D+2 -0.15057 0.00000 0.00000 0.04446 -0.14794
|
|
31 13D-2 -0.36161 0.00000 0.00000 0.27938 0.03041
|
|
32 14D 0 2.59889 0.00000 0.00000 4.27052 -1.02267
|
|
33 14D+1 0.00000 3.40117 4.41991 0.00000 0.00000
|
|
34 14D-1 0.00000 -2.62920 0.92255 0.00000 0.00000
|
|
35 14D+2 0.28032 0.00000 0.00000 0.47427 3.57067
|
|
36 14D-2 4.78874 0.00000 0.00000 -2.47492 1.94294
|
|
37 15D 0 3.10917 0.00000 0.00000 1.65540 1.48101
|
|
38 15D+1 0.00000 0.28984 -1.03772 0.00000 0.00000
|
|
39 15D-1 0.00000 0.25829 2.83016 0.00000 0.00000
|
|
40 15D+2 0.28218 0.00000 0.00000 1.65179 1.88242
|
|
41 15D-2 1.36924 0.00000 0.00000 0.28653 -0.42260
|
|
42 16F 0 0.00000 -0.01392 -0.01238 0.00000 0.00000
|
|
43 16F+1 -0.02773 0.00000 0.00000 -0.05017 -0.03869
|
|
44 16F-1 -0.07017 0.00000 0.00000 -0.02634 0.01325
|
|
45 16F+2 0.00000 -0.01831 -0.00066 0.00000 0.00000
|
|
46 16F-2 0.00000 0.01153 -0.00366 0.00000 0.00000
|
|
47 16F+3 -0.00931 0.00000 0.00000 -0.03012 0.05536
|
|
48 16F-3 0.00512 0.00000 0.00000 -0.04236 -0.03723
|
|
49 17F 0 0.00000 0.23068 0.18007 0.00000 0.00000
|
|
50 17F+1 0.39959 0.00000 0.00000 0.82040 0.79701
|
|
51 17F-1 0.90589 0.00000 0.00000 0.47517 0.10343
|
|
52 17F+2 0.00000 0.29481 0.04107 0.00000 0.00000
|
|
53 17F-2 0.00000 -0.10951 0.23235 0.00000 0.00000
|
|
54 17F+3 0.05996 0.00000 0.00000 0.28251 -0.74833
|
|
55 17F-3 -0.08914 0.00000 0.00000 0.57859 0.60259
|
|
56 18F 0 0.00000 1.25255 1.42191 0.00000 0.00000
|
|
57 18F+1 1.94275 0.00000 0.00000 2.10638 0.63078
|
|
58 18F-1 1.04029 0.00000 0.00000 -0.19566 0.79901
|
|
59 18F+2 0.00000 1.62914 1.49246 0.00000 0.00000
|
|
60 18F-2 0.00000 -0.49760 0.54011 0.00000 0.00000
|
|
61 18F+3 -1.03555 0.00000 0.00000 1.17066 -0.81443
|
|
62 18F-3 0.38481 0.00000 0.00000 1.31154 -0.74559
|
|
63 19G 0 -0.04761 0.00000 0.00000 0.02561 0.06622
|
|
64 19G+1 0.00000 -0.00236 -0.00308 0.00000 0.00000
|
|
65 19G-1 0.00000 0.02508 0.03966 0.00000 0.00000
|
|
66 19G+2 0.00515 0.00000 0.00000 -0.00353 -0.00188
|
|
67 19G-2 -0.01256 0.00000 0.00000 0.03022 0.02759
|
|
68 19G+3 0.00000 -0.00668 -0.00042 0.00000 0.00000
|
|
69 19G-3 0.00000 0.02124 0.04131 0.00000 0.00000
|
|
70 19G+4 -0.01549 0.00000 0.00000 -0.02748 -0.01117
|
|
71 19G-4 0.00418 0.00000 0.00000 0.04343 -0.01014
|
|
72 20G 0 -0.37636 0.00000 0.00000 0.19606 -1.09998
|
|
73 20G+1 0.00000 0.49393 0.30441 0.00000 0.00000
|
|
74 20G-1 0.00000 -0.31242 -0.12516 0.00000 0.00000
|
|
75 20G+2 0.18899 0.00000 0.00000 0.46894 -0.08851
|
|
76 20G-2 0.79860 0.00000 0.00000 0.46188 0.44780
|
|
77 20G+3 0.00000 0.95429 0.38704 0.00000 0.00000
|
|
78 20G-3 0.00000 -0.08021 -0.25538 0.00000 0.00000
|
|
79 20G+4 0.38330 0.00000 0.00000 -0.28979 0.44972
|
|
80 20G-4 0.52771 0.00000 0.00000 -0.81408 -0.04685
|
|
81 21H 0 0.00000 -0.02048 -0.04192 0.00000 0.00000
|
|
82 21H+1 -0.03904 0.00000 0.00000 0.10436 -0.09954
|
|
83 21H-1 -0.04812 0.00000 0.00000 0.08477 -0.05688
|
|
84 21H+2 0.00000 0.16344 0.08830 0.00000 0.00000
|
|
85 21H-2 0.00000 -0.03901 -0.00801 0.00000 0.00000
|
|
86 21H+3 -0.00339 0.00000 0.00000 -0.00917 0.01382
|
|
87 21H-3 0.11240 0.00000 0.00000 -0.02678 0.06816
|
|
88 21H+4 0.00000 0.02306 -0.00391 0.00000 0.00000
|
|
89 21H-4 0.00000 0.07073 0.04894 0.00000 0.00000
|
|
90 21H+5 -0.08295 0.00000 0.00000 0.08882 -0.04683
|
|
91 21H-5 -0.04608 0.00000 0.00000 0.03634 0.02254
|
|
92 2 S 1S -0.01183 0.00000 0.00000 -0.00762 -0.00317
|
|
93 2S 0.00800 0.00000 0.00000 0.01425 0.01167
|
|
94 3S -0.10159 0.00000 0.00000 -0.03495 0.00117
|
|
95 4S -0.00926 0.00000 0.00000 0.19742 0.14230
|
|
96 5S -0.94251 0.00000 0.00000 -0.48484 0.35871
|
|
97 6S 2.42817 0.00000 0.00000 -0.51116 -2.48661
|
|
98 7S 1.07809 0.00000 0.00000 0.47748 0.29595
|
|
99 8PX -0.02211 0.00000 0.00000 0.00201 0.03531
|
|
100 8PY 0.00780 0.00000 0.00000 -0.01148 -0.03877
|
|
101 8PZ 0.00000 0.04220 -0.07090 0.00000 0.00000
|
|
102 9PX 0.09024 0.00000 0.00000 0.01554 -0.10445
|
|
103 9PY -0.01630 0.00000 0.00000 0.06339 0.16500
|
|
104 9PZ 0.00000 -0.22437 0.36160 0.00000 0.00000
|
|
105 10PX 0.28905 0.00000 0.00000 0.19859 -0.20985
|
|
106 10PY -0.01775 0.00000 0.00000 0.26720 0.61361
|
|
107 10PZ 0.00000 -0.87152 1.40239 0.00000 0.00000
|
|
108 11PX -0.07265 0.00000 0.00000 -0.73235 0.18276
|
|
109 11PY -0.29310 0.00000 0.00000 -0.70407 -1.22822
|
|
110 11PZ 0.00000 0.85004 -1.85784 0.00000 0.00000
|
|
111 12PX 0.42454 0.00000 0.00000 -1.63314 -7.83577
|
|
112 12PY 1.15761 0.00000 0.00000 3.00790 6.61589
|
|
113 12PZ 0.00000 0.93289 3.22751 0.00000 0.00000
|
|
114 13PX -0.01305 0.00000 0.00000 0.28687 -0.23685
|
|
115 13PY 0.08911 0.00000 0.00000 -0.01907 0.19680
|
|
116 13PZ 0.00000 0.29970 -0.01981 0.00000 0.00000
|
|
117 14D 0 -0.39152 0.00000 0.00000 -0.04146 0.24888
|
|
118 14D+1 0.00000 0.18388 -0.03465 0.00000 0.00000
|
|
119 14D-1 0.00000 0.85505 2.30279 0.00000 0.00000
|
|
120 14D+2 0.17152 0.00000 0.00000 -1.42933 -4.49110
|
|
121 14D-2 0.01712 0.00000 0.00000 1.05668 -0.55896
|
|
122 15D 0 -0.21580 0.00000 0.00000 0.16550 0.69338
|
|
123 15D+1 0.00000 0.30542 -0.29018 0.00000 0.00000
|
|
124 15D-1 0.00000 0.21495 0.50204 0.00000 0.00000
|
|
125 15D+2 0.37185 0.00000 0.00000 -0.97423 -1.84866
|
|
126 15D-2 -0.86150 0.00000 0.00000 0.05502 0.69977
|
|
127 16D 0 0.12432 0.00000 0.00000 0.09061 -0.18679
|
|
128 16D+1 0.00000 -0.30727 0.33080 0.00000 0.00000
|
|
129 16D-1 0.00000 -0.01632 -0.29070 0.00000 0.00000
|
|
130 16D+2 0.00337 0.00000 0.00000 0.28392 0.58574
|
|
131 16D-2 0.52501 0.00000 0.00000 0.07815 -0.24700
|
|
132 17D 0 0.00823 0.00000 0.00000 0.01098 -0.00680
|
|
133 17D+1 0.00000 -0.03488 0.04596 0.00000 0.00000
|
|
134 17D-1 0.00000 0.01120 -0.00194 0.00000 0.00000
|
|
135 17D+2 0.02642 0.00000 0.00000 -0.00058 -0.01816
|
|
136 17D-2 0.03572 0.00000 0.00000 0.02520 -0.00432
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|
137 18F 0 0.00000 -0.37111 -0.43455 0.00000 0.00000
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|
138 18F+1 -0.16812 0.00000 0.00000 0.08145 0.80941
|
|
139 18F-1 -0.05160 0.00000 0.00000 -0.19481 -0.46123
|
|
140 18F+2 0.00000 0.02083 -1.06325 0.00000 0.00000
|
|
141 18F-2 0.00000 -0.14245 0.24079 0.00000 0.00000
|
|
142 18F+3 0.00010 0.00000 0.00000 -0.43485 -0.34806
|
|
143 18F-3 0.23474 0.00000 0.00000 0.13464 -0.53150
|
|
144 19F 0 0.00000 -0.03396 -0.26055 0.00000 0.00000
|
|
145 19F+1 -0.02258 0.00000 0.00000 0.18351 0.46223
|
|
146 19F-1 0.02036 0.00000 0.00000 -0.08854 -0.30394
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|
147 19F+2 0.00000 -0.23117 -0.09596 0.00000 0.00000
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|
148 19F-2 0.00000 0.04110 -0.03522 0.00000 0.00000
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|
149 19F+3 0.48008 0.00000 0.00000 -0.60733 -0.59700
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|
150 19F-3 0.07481 0.00000 0.00000 -0.14246 0.03623
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|
151 20F 0 0.00000 -0.04431 0.14195 0.00000 0.00000
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|
152 20F+1 0.02342 0.00000 0.00000 0.03476 -0.07048
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|
153 20F-1 -0.02942 0.00000 0.00000 -0.03348 0.06464
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154 20F+2 0.00000 0.10599 -0.01154 0.00000 0.00000
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155 20F-2 0.00000 -0.03529 -0.01256 0.00000 0.00000
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156 20F+3 -0.03710 0.00000 0.00000 0.14772 0.06490
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|
157 20F-3 -0.05286 0.00000 0.00000 0.05758 0.03477
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|
158 21G 0 0.05380 0.00000 0.00000 0.03074 -0.07231
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|
159 21G+1 0.00000 -0.15870 0.22553 0.00000 0.00000
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|
160 21G-1 0.00000 0.05932 -0.26963 0.00000 0.00000
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161 21G+2 0.00605 0.00000 0.00000 0.26229 0.45514
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162 21G-2 -0.07019 0.00000 0.00000 0.07258 -0.04278
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163 21G+3 0.00000 0.11996 -0.04900 0.00000 0.00000
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164 21G-3 0.00000 -0.07107 -0.19581 0.00000 0.00000
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165 21G+4 -0.17567 0.00000 0.00000 -0.19528 -0.08648
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166 21G-4 0.12399 0.00000 0.00000 0.08052 0.13195
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167 22G 0 -0.00380 0.00000 0.00000 -0.01444 -0.04860
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168 22G+1 0.00000 0.04146 -0.05120 0.00000 0.00000
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169 22G-1 0.00000 -0.02985 0.00507 0.00000 0.00000
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170 22G+2 -0.02651 0.00000 0.00000 0.00952 0.03986
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171 22G-2 -0.01778 0.00000 0.00000 -0.01957 -0.00949
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172 22G+3 0.00000 0.00798 0.03807 0.00000 0.00000
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173 22G-3 0.00000 0.00715 0.00366 0.00000 0.00000
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174 22G+4 0.03569 0.00000 0.00000 -0.01894 -0.00962
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175 22G-4 -0.00625 0.00000 0.00000 0.03758 0.04667
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176 23H 0 0.00000 -0.01460 0.15043 0.00000 0.00000
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177 23H+1 0.01524 0.00000 0.00000 0.01476 -0.04858
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178 23H-1 0.00598 0.00000 0.00000 0.02655 -0.04382
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179 23H+2 0.00000 0.10839 -0.05996 0.00000 0.00000
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180 23H-2 0.00000 -0.00414 0.00699 0.00000 0.00000
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181 23H+3 -0.03781 0.00000 0.00000 0.03903 0.07047
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182 23H-3 -0.02313 0.00000 0.00000 -0.05749 0.02846
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183 23H+4 0.00000 -0.02990 0.05749 0.00000 0.00000
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184 23H-4 0.00000 0.05283 -0.04702 0.00000 0.00000
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185 23H+5 0.04917 0.00000 0.00000 0.00578 -0.04896
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186 23H-5 0.04494 0.00000 0.00000 0.04235 0.12589
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187 3 H 1S -0.00598 0.00000 0.00000 0.00319 0.01200
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188 2S 0.37326 0.00000 0.00000 -0.32674 -0.88377
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189 3S -1.03260 0.00000 0.00000 1.82865 5.02067
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190 4S -0.82379 0.00000 0.00000 2.91421 6.51547
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191 5S -0.12781 0.00000 0.00000 -0.29124 -0.31548
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192 6PX 0.00197 0.00000 0.00000 -0.00704 -0.00676
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|
193 6PY -0.00144 0.00000 0.00000 -0.00936 0.00037
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194 6PZ 0.00000 -0.00467 0.00284 0.00000 0.00000
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195 7PX -0.02557 0.00000 0.00000 0.08189 0.12542
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196 7PY 0.01555 0.00000 0.00000 0.05522 -0.01107
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197 7PZ 0.00000 0.00960 0.00145 0.00000 0.00000
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198 8PX 0.44427 0.00000 0.00000 -0.85610 -1.69954
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199 8PY -0.12415 0.00000 0.00000 0.02338 0.29266
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200 8PZ 0.00000 -0.22118 0.10419 0.00000 0.00000
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201 9PX 0.43190 0.00000 0.00000 -1.49935 -3.03423
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202 9PY -0.35250 0.00000 0.00000 0.53906 0.55956
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203 9PZ 0.00000 -0.34830 0.40830 0.00000 0.00000
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204 10D 0 0.00259 0.00000 0.00000 0.02702 0.01209
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205 10D+1 0.00000 0.02934 -0.03307 0.00000 0.00000
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206 10D-1 0.00000 -0.01801 -0.00677 0.00000 0.00000
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207 10D+2 0.00251 0.00000 0.00000 -0.00568 -0.03525
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208 10D-2 -0.01000 0.00000 0.00000 0.00388 0.01477
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209 11D 0 -0.00985 0.00000 0.00000 -0.15402 -0.09716
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210 11D+1 0.00000 -0.16621 0.18384 0.00000 0.00000
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211 11D-1 0.00000 0.09637 0.03465 0.00000 0.00000
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212 11D+2 -0.02390 0.00000 0.00000 0.04109 0.24095
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213 11D-2 0.05921 0.00000 0.00000 -0.02424 -0.09829
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214 12D 0 0.18498 0.00000 0.00000 -0.24024 -0.29778
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215 12D+1 0.00000 0.31038 -0.29831 0.00000 0.00000
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216 12D-1 0.00000 -0.04129 0.02139 0.00000 0.00000
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217 12D+2 -0.08506 0.00000 0.00000 0.21216 0.41004
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218 12D-2 0.07616 0.00000 0.00000 -0.35849 -0.07560
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219 13F 0 0.00000 0.03218 0.02642 0.00000 0.00000
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220 13F+1 -0.00576 0.00000 0.00000 0.00198 -0.01078
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221 13F-1 0.01094 0.00000 0.00000 0.06442 -0.02913
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222 13F+2 0.00000 -0.01125 0.07105 0.00000 0.00000
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223 13F-2 0.00000 0.01632 -0.01820 0.00000 0.00000
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224 13F+3 0.01134 0.00000 0.00000 0.01014 -0.02029
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225 13F-3 0.01698 0.00000 0.00000 0.00577 0.00342
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226 14F 0 0.00000 -0.27341 -0.15940 0.00000 0.00000
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227 14F+1 0.01310 0.00000 0.00000 0.04222 0.20289
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228 14F-1 -0.07808 0.00000 0.00000 -0.50082 0.21711
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229 14F+2 0.00000 0.12068 -0.58876 0.00000 0.00000
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230 14F-2 0.00000 -0.13999 0.14559 0.00000 0.00000
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231 14F+3 -0.06213 0.00000 0.00000 -0.14793 0.02408
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232 14F-3 -0.16962 0.00000 0.00000 -0.00399 0.02176
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233 15G 0 -0.00230 0.00000 0.00000 0.00110 0.00254
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234 15G+1 0.00000 -0.00067 -0.00052 0.00000 0.00000
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235 15G-1 0.00000 0.00085 0.00069 0.00000 0.00000
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236 15G+2 0.00097 0.00000 0.00000 -0.00213 -0.00314
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237 15G-2 0.00003 0.00000 0.00000 0.00077 -0.00011
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238 15G+3 0.00000 0.00006 -0.00020 0.00000 0.00000
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239 15G-3 0.00000 -0.00013 0.00086 0.00000 0.00000
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240 15G+4 -0.00063 0.00000 0.00000 0.00213 0.00685
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241 15G-4 -0.00084 0.00000 0.00000 -0.00368 -0.00076
|
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242 4 H 1S -0.00860 0.00000 0.00000 0.00474 0.00030
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243 2S -0.43783 0.00000 0.00000 0.39172 0.99153
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244 3S 3.40680 0.00000 0.00000 -4.85976 -6.25273
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245 4S 6.86314 0.00000 0.00000 -5.75371 -6.95232
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246 5S -0.50950 0.00000 0.00000 -0.02993 -0.25302
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247 6PX -0.01692 0.00000 0.00000 0.00201 0.01390
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248 6PY -0.00790 0.00000 0.00000 -0.01186 0.00620
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249 6PZ 0.00000 -0.00068 -0.00423 0.00000 0.00000
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250 7PX 0.03469 0.00000 0.00000 0.01811 -0.01222
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251 7PY -0.00362 0.00000 0.00000 0.12683 -0.08579
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252 7PZ 0.00000 -0.01979 -0.00569 0.00000 0.00000
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253 8PX 2.13534 0.00000 0.00000 -2.03456 -2.50383
|
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254 8PY 0.60421 0.00000 0.00000 -2.21123 2.26987
|
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255 8PZ 0.00000 0.86283 0.82397 0.00000 0.00000
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256 9PX 2.46061 0.00000 0.00000 -2.52801 -3.74045
|
|
257 9PY -0.69790 0.00000 0.00000 -0.85435 1.36779
|
|
258 9PZ 0.00000 0.96476 -0.14687 0.00000 0.00000
|
|
259 10D 0 0.01198 0.00000 0.00000 -0.02513 -0.02938
|
|
260 10D+1 0.00000 -0.00601 -0.02725 0.00000 0.00000
|
|
261 10D-1 0.00000 -0.00057 0.00834 0.00000 0.00000
|
|
262 10D+2 -0.06764 0.00000 0.00000 0.01814 0.00613
|
|
263 10D-2 -0.05438 0.00000 0.00000 0.05403 -0.01882
|
|
264 11D 0 -0.14363 0.00000 0.00000 0.18213 0.25892
|
|
265 11D+1 0.00000 0.10354 0.21422 0.00000 0.00000
|
|
266 11D-1 0.00000 -0.02236 -0.06396 0.00000 0.00000
|
|
267 11D+2 0.54561 0.00000 0.00000 -0.22812 -0.15120
|
|
268 11D-2 0.32389 0.00000 0.00000 -0.35189 0.24068
|
|
269 12D 0 -0.28202 0.00000 0.00000 0.07514 0.51409
|
|
270 12D+1 0.00000 0.89162 0.47853 0.00000 0.00000
|
|
271 12D-1 0.00000 -0.36601 -0.09907 0.00000 0.00000
|
|
272 12D+2 0.62403 0.00000 0.00000 -1.26086 -0.58005
|
|
273 12D-2 0.08822 0.00000 0.00000 -1.40364 1.46443
|
|
274 13F 0 0.00000 0.00148 0.00337 0.00000 0.00000
|
|
275 13F+1 0.00363 0.00000 0.00000 -0.02576 0.00435
|
|
276 13F-1 0.04676 0.00000 0.00000 -0.03476 0.02865
|
|
277 13F+2 0.00000 0.02204 -0.00360 0.00000 0.00000
|
|
278 13F-2 0.00000 -0.01441 -0.00094 0.00000 0.00000
|
|
279 13F+3 -0.00477 0.00000 0.00000 -0.01491 -0.01220
|
|
280 13F-3 -0.00147 0.00000 0.00000 0.02444 0.00659
|
|
281 14F 0 0.00000 -0.17455 -0.17970 0.00000 0.00000
|
|
282 14F+1 -0.12742 0.00000 0.00000 0.24466 0.09070
|
|
283 14F-1 -0.42428 0.00000 0.00000 0.40969 -0.32447
|
|
284 14F+2 0.00000 -0.01689 0.21019 0.00000 0.00000
|
|
285 14F-2 0.00000 -0.07453 -0.10785 0.00000 0.00000
|
|
286 14F+3 0.45694 0.00000 0.00000 -0.39101 0.06645
|
|
287 14F-3 0.13290 0.00000 0.00000 -0.44820 0.36675
|
|
288 15G 0 -0.00032 0.00000 0.00000 0.00670 -0.00178
|
|
289 15G+1 0.00000 -0.00957 -0.00987 0.00000 0.00000
|
|
290 15G-1 0.00000 0.00566 0.00332 0.00000 0.00000
|
|
291 15G+2 -0.00015 0.00000 0.00000 0.00483 0.00041
|
|
292 15G-2 -0.00361 0.00000 0.00000 0.01360 -0.00641
|
|
293 15G+3 0.00000 0.00527 0.00815 0.00000 0.00000
|
|
294 15G-3 0.00000 -0.01703 -0.00978 0.00000 0.00000
|
|
295 15G+4 0.02102 0.00000 0.00000 -0.03487 0.00440
|
|
296 15G-4 0.00032 0.00000 0.00000 -0.00029 0.02418
|
|
297 5 H 1S 0.00961 -0.00590 -0.00696 0.00102 0.00273
|
|
298 2S 0.93986 0.02500 0.11578 0.74435 0.46859
|
|
299 3S -11.24461 -0.87536 -4.86196 -8.08890 -5.42655
|
|
300 4S -9.98434 1.08738 -0.75086 -6.09327 -5.65347
|
|
301 5S -0.02864 -0.04928 -0.11540 -0.14383 0.07172
|
|
302 6PX -0.01107 0.00282 0.00262 -0.01009 -0.00280
|
|
303 6PY -0.00873 0.01118 0.00875 -0.00241 -0.00788
|
|
304 6PZ -0.01415 0.00510 0.00654 -0.00385 0.00131
|
|
305 7PX 0.05718 0.00233 -0.02868 0.02359 0.03166
|
|
306 7PY 0.04692 -0.13234 -0.09890 -0.03682 0.04723
|
|
307 7PZ 0.02834 -0.03245 -0.08355 -0.00368 -0.07389
|
|
308 8PX 0.96390 -0.57239 0.78728 1.62361 0.07613
|
|
309 8PY 1.04021 2.39538 2.10950 2.27475 -0.01543
|
|
310 8PZ 3.85340 0.12843 2.05065 2.08305 2.60230
|
|
311 9PX 1.04701 -0.62721 0.80898 1.98011 1.00469
|
|
312 9PY 1.59023 0.66192 -0.00888 1.57027 0.55804
|
|
313 9PZ 4.02157 -0.07405 0.98557 2.13285 2.26955
|
|
314 10D 0 0.02486 -0.02174 0.00809 -0.01063 0.02694
|
|
315 10D+1 0.02465 -0.02775 0.00151 0.00849 -0.00410
|
|
316 10D-1 0.00588 0.05162 0.03738 0.02836 0.01001
|
|
317 10D+2 -0.00690 -0.02307 -0.00852 -0.01001 0.00208
|
|
318 10D-2 -0.01022 0.02375 0.01909 0.03469 0.00340
|
|
319 11D 0 -0.31806 0.13577 -0.08727 0.01597 -0.31372
|
|
320 11D+1 -0.27107 0.20490 -0.05122 -0.18176 -0.01538
|
|
321 11D-1 -0.16529 -0.36981 -0.29552 -0.27948 -0.10734
|
|
322 11D+2 0.03655 0.19221 0.07289 0.04643 0.00489
|
|
323 11D-2 0.01363 -0.15509 -0.14532 -0.28299 0.00318
|
|
324 12D 0 -1.32486 0.05471 -0.34525 0.20638 -1.03691
|
|
325 12D+1 -0.22562 0.43939 -0.29569 -0.83559 -0.32120
|
|
326 12D-1 -0.42136 -1.06744 -0.86818 -0.83467 -0.29881
|
|
327 12D+2 0.25325 0.66890 0.12154 0.04954 0.07357
|
|
328 12D-2 0.03286 -0.29436 -0.41772 -0.70797 0.59388
|
|
329 13F 0 0.01491 0.00945 0.00137 -0.00263 0.01984
|
|
330 13F+1 -0.00245 0.01895 0.00504 0.02202 0.00045
|
|
331 13F-1 0.01448 0.00672 0.00438 0.00276 0.01039
|
|
332 13F+2 0.00289 0.00759 0.01280 0.00619 0.00962
|
|
333 13F-2 0.01489 -0.03818 -0.00631 -0.00351 0.01896
|
|
334 13F+3 -0.00402 -0.01959 -0.01861 0.01152 0.00641
|
|
335 13F-3 0.01241 0.02594 -0.00802 0.01782 -0.04143
|
|
336 14F 0 0.15373 -0.20491 -0.04126 -0.20177 0.15018
|
|
337 14F+1 0.21682 -0.29748 0.01576 -0.03487 0.20103
|
|
338 14F-1 0.10651 0.18873 0.14901 0.10112 0.17346
|
|
339 14F+2 -0.02081 -0.42709 -0.25507 -0.08113 -0.14428
|
|
340 14F-2 -0.09457 0.41946 0.17215 0.33301 -0.25991
|
|
341 14F+3 0.05552 -0.01593 0.05022 -0.19558 0.00240
|
|
342 14F-3 -0.10863 -0.27551 0.02127 -0.05461 0.19270
|
|
343 15G 0 -0.01072 0.00921 0.00590 0.01758 -0.00284
|
|
344 15G+1 -0.00929 0.00431 -0.00278 -0.00097 -0.01630
|
|
345 15G-1 -0.01660 -0.00428 -0.00282 0.00588 -0.01851
|
|
346 15G+2 0.00021 0.01788 0.00646 0.00199 0.00361
|
|
347 15G-2 -0.00079 -0.00547 -0.00394 -0.01340 -0.00240
|
|
348 15G+3 -0.00394 0.01634 0.00792 0.00763 -0.00410
|
|
349 15G-3 -0.00022 0.01084 0.00731 -0.00673 0.01118
|
|
350 15G+4 0.00169 0.00138 0.00060 0.00404 -0.00526
|
|
351 15G-4 -0.00118 0.00854 0.00531 -0.00099 0.00267
|
|
352 6 H 1S 0.00961 0.00590 0.00696 0.00102 0.00273
|
|
353 2S 0.93986 -0.02500 -0.11578 0.74435 0.46859
|
|
354 3S -11.24461 0.87536 4.86196 -8.08890 -5.42655
|
|
355 4S -9.98434 -1.08738 0.75086 -6.09327 -5.65347
|
|
356 5S -0.02864 0.04928 0.11540 -0.14383 0.07172
|
|
357 6PX -0.01107 -0.00282 -0.00262 -0.01009 -0.00280
|
|
358 6PY -0.00873 -0.01118 -0.00875 -0.00241 -0.00788
|
|
359 6PZ 0.01415 0.00510 0.00654 0.00385 -0.00131
|
|
360 7PX 0.05718 -0.00233 0.02868 0.02359 0.03166
|
|
361 7PY 0.04692 0.13234 0.09890 -0.03682 0.04723
|
|
362 7PZ -0.02834 -0.03245 -0.08355 0.00368 0.07389
|
|
363 8PX 0.96390 0.57239 -0.78728 1.62361 0.07613
|
|
364 8PY 1.04021 -2.39538 -2.10950 2.27475 -0.01543
|
|
365 8PZ -3.85340 0.12843 2.05065 -2.08305 -2.60230
|
|
366 9PX 1.04701 0.62721 -0.80898 1.98011 1.00469
|
|
367 9PY 1.59023 -0.66192 0.00888 1.57027 0.55804
|
|
368 9PZ -4.02157 -0.07405 0.98557 -2.13285 -2.26955
|
|
369 10D 0 0.02486 0.02174 -0.00809 -0.01063 0.02694
|
|
370 10D+1 -0.02465 -0.02775 0.00151 -0.00849 0.00410
|
|
371 10D-1 -0.00588 0.05162 0.03738 -0.02836 -0.01001
|
|
372 10D+2 -0.00690 0.02307 0.00852 -0.01001 0.00208
|
|
373 10D-2 -0.01022 -0.02375 -0.01909 0.03469 0.00340
|
|
374 11D 0 -0.31806 -0.13577 0.08727 0.01597 -0.31372
|
|
375 11D+1 0.27107 0.20490 -0.05122 0.18176 0.01538
|
|
376 11D-1 0.16529 -0.36981 -0.29552 0.27948 0.10734
|
|
377 11D+2 0.03655 -0.19221 -0.07289 0.04643 0.00489
|
|
378 11D-2 0.01363 0.15509 0.14532 -0.28299 0.00318
|
|
379 12D 0 -1.32486 -0.05471 0.34525 0.20638 -1.03691
|
|
380 12D+1 0.22562 0.43939 -0.29569 0.83559 0.32120
|
|
381 12D-1 0.42136 -1.06744 -0.86818 0.83467 0.29881
|
|
382 12D+2 0.25325 -0.66890 -0.12154 0.04954 0.07357
|
|
383 12D-2 0.03286 0.29436 0.41772 -0.70797 0.59388
|
|
384 13F 0 -0.01491 0.00945 0.00137 0.00263 -0.01984
|
|
385 13F+1 -0.00245 -0.01895 -0.00504 0.02202 0.00045
|
|
386 13F-1 0.01448 -0.00672 -0.00438 0.00276 0.01039
|
|
387 13F+2 -0.00289 0.00759 0.01280 -0.00619 -0.00962
|
|
388 13F-2 -0.01489 -0.03818 -0.00631 0.00351 -0.01896
|
|
389 13F+3 -0.00402 0.01959 0.01861 0.01152 0.00641
|
|
390 13F-3 0.01241 -0.02594 0.00802 0.01782 -0.04143
|
|
391 14F 0 -0.15373 -0.20491 -0.04126 0.20177 -0.15018
|
|
392 14F+1 0.21682 0.29748 -0.01576 -0.03487 0.20103
|
|
393 14F-1 0.10651 -0.18873 -0.14901 0.10112 0.17346
|
|
394 14F+2 0.02081 -0.42709 -0.25507 0.08113 0.14428
|
|
395 14F-2 0.09457 0.41946 0.17215 -0.33301 0.25991
|
|
396 14F+3 0.05552 0.01593 -0.05022 -0.19558 0.00240
|
|
397 14F-3 -0.10863 0.27551 -0.02127 -0.05461 0.19270
|
|
398 15G 0 -0.01072 -0.00921 -0.00590 0.01758 -0.00284
|
|
399 15G+1 0.00929 0.00431 -0.00278 0.00097 0.01630
|
|
400 15G-1 0.01660 -0.00428 -0.00282 -0.00588 0.01851
|
|
401 15G+2 0.00021 -0.01788 -0.00646 0.00199 0.00361
|
|
402 15G-2 -0.00079 0.00547 0.00394 -0.01340 -0.00240
|
|
403 15G+3 0.00394 0.01634 0.00792 -0.00763 0.00410
|
|
404 15G-3 0.00022 0.01084 0.00731 0.00673 -0.01118
|
|
405 15G+4 0.00169 -0.00138 -0.00060 0.00404 -0.00526
|
|
406 15G-4 -0.00118 -0.00854 -0.00531 -0.00099 0.00267
|
|
156 157 158 159 160
|
|
V V V V V
|
|
Eigenvalues -- 4.13834 4.14578 4.17065 4.17275 4.17508
|
|
1 1 C 1S 0.00000 0.00000 -0.07990 0.00000 -0.00318
|
|
2 2S 0.00000 0.00000 -0.03002 0.00000 -0.01403
|
|
3 3S 0.00000 0.00000 -1.17164 0.00000 -0.02602
|
|
4 4S 0.00000 0.00000 2.13740 0.00000 -1.68845
|
|
5 5S 0.00000 0.00000 22.26147 0.00000 8.28249
|
|
6 6S 0.00000 0.00000 6.03882 0.00000 0.07198
|
|
7 7PX 0.00000 0.00000 0.02441 0.00000 -0.02745
|
|
8 7PY 0.00000 0.00000 0.01378 0.00000 0.00679
|
|
9 7PZ -0.01239 -0.03232 0.00000 -0.02484 0.00000
|
|
10 8PX 0.00000 0.00000 1.30377 0.00000 -0.63958
|
|
11 8PY 0.00000 0.00000 -0.46723 0.00000 -0.08762
|
|
12 8PZ -0.58807 -1.42166 0.00000 -0.80393 0.00000
|
|
13 9PX 0.00000 0.00000 -8.82331 0.00000 1.12682
|
|
14 9PY 0.00000 0.00000 5.19725 0.00000 0.45149
|
|
15 9PZ 3.28143 8.04421 0.00000 6.12859 0.00000
|
|
16 10PX 0.00000 0.00000 -6.25939 0.00000 -1.21776
|
|
17 10PY 0.00000 0.00000 7.51042 0.00000 2.59950
|
|
18 10PZ 1.62482 6.70582 0.00000 3.89882 0.00000
|
|
19 11PX 0.00000 0.00000 -0.16658 0.00000 -0.23814
|
|
20 11PY 0.00000 0.00000 0.17799 0.00000 0.17347
|
|
21 11PZ -0.08116 0.11505 0.00000 0.15803 0.00000
|
|
22 12D 0 0.00000 0.00000 0.00773 0.00000 0.00689
|
|
23 12D+1 0.00074 -0.01186 0.00000 -0.02413 0.00000
|
|
24 12D-1 -0.01057 -0.00926 0.00000 0.00579 0.00000
|
|
25 12D+2 0.00000 0.00000 -0.01891 0.00000 -0.01109
|
|
26 12D-2 0.00000 0.00000 0.02177 0.00000 0.01892
|
|
27 13D 0 0.00000 0.00000 -0.15428 0.00000 0.04443
|
|
28 13D+1 0.00675 0.21361 0.00000 0.14619 0.00000
|
|
29 13D-1 0.09861 0.00661 0.00000 -0.16350 0.00000
|
|
30 13D+2 0.00000 0.00000 -0.00161 0.00000 -0.06627
|
|
31 13D-2 0.00000 0.00000 -0.12915 0.00000 -0.04917
|
|
32 14D 0 0.00000 0.00000 0.50319 0.00000 0.17488
|
|
33 14D+1 -0.07629 0.27285 0.00000 2.74936 0.00000
|
|
34 14D-1 1.32328 2.46151 0.00000 1.30919 0.00000
|
|
35 14D+2 0.00000 0.00000 3.38110 0.00000 1.13565
|
|
36 14D-2 0.00000 0.00000 -1.39826 0.00000 -0.61379
|
|
37 15D 0 0.00000 0.00000 -0.55466 0.00000 0.17034
|
|
38 15D+1 0.25398 1.59566 0.00000 0.50750 0.00000
|
|
39 15D-1 0.15669 1.12236 0.00000 2.41386 0.00000
|
|
40 15D+2 0.00000 0.00000 2.72022 0.00000 0.73258
|
|
41 15D-2 0.00000 0.00000 -0.29080 0.00000 1.50242
|
|
42 16F 0 0.00808 0.00597 0.00000 0.01083 0.00000
|
|
43 16F+1 0.00000 0.00000 -0.05398 0.00000 -0.00748
|
|
44 16F-1 0.00000 0.00000 -0.05238 0.00000 0.02509
|
|
45 16F+2 0.00555 0.02044 0.00000 0.00093 0.00000
|
|
46 16F-2 0.02147 0.04758 0.00000 -0.00025 0.00000
|
|
47 16F+3 0.00000 0.00000 0.01925 0.00000 0.04908
|
|
48 16F-3 0.00000 0.00000 0.00582 0.00000 -0.02579
|
|
49 17F 0 -0.02990 -0.03815 0.00000 -0.06204 0.00000
|
|
50 17F+1 0.00000 0.00000 0.99867 0.00000 0.08915
|
|
51 17F-1 0.00000 0.00000 0.64068 0.00000 -0.30057
|
|
52 17F+2 -0.09205 -0.16940 0.00000 0.01219 0.00000
|
|
53 17F-2 -0.14631 -0.31650 0.00000 0.15304 0.00000
|
|
54 17F+3 0.00000 0.00000 -0.47327 0.00000 -0.46006
|
|
55 17F-3 0.00000 0.00000 0.31019 0.00000 0.27054
|
|
56 18F 0 0.50345 0.28916 0.00000 1.07470 0.00000
|
|
57 18F+1 0.00000 0.00000 0.28879 0.00000 1.27651
|
|
58 18F-1 0.00000 0.00000 -0.62243 0.00000 1.08300
|
|
59 18F+2 -0.63525 0.50377 0.00000 1.07079 0.00000
|
|
60 18F-2 0.62858 1.65274 0.00000 1.08845 0.00000
|
|
61 18F+3 0.00000 0.00000 -1.01067 0.00000 0.69185
|
|
62 18F-3 0.00000 0.00000 0.21305 0.00000 0.04456
|
|
63 19G 0 0.00000 0.00000 -0.02532 0.00000 -0.03277
|
|
64 19G+1 -0.01932 -0.01119 0.00000 0.01927 0.00000
|
|
65 19G-1 0.03245 -0.00091 0.00000 -0.00542 0.00000
|
|
66 19G+2 0.00000 0.00000 0.00416 0.00000 -0.02217
|
|
67 19G-2 0.00000 0.00000 0.02928 0.00000 -0.02915
|
|
68 19G+3 0.04368 0.00825 0.00000 -0.06842 0.00000
|
|
69 19G-3 0.01328 0.01796 0.00000 -0.03083 0.00000
|
|
70 19G+4 0.00000 0.00000 0.03901 0.00000 0.02115
|
|
71 19G-4 0.00000 0.00000 -0.03427 0.00000 -0.01222
|
|
72 20G 0 0.00000 0.00000 0.84090 0.00000 0.24966
|
|
73 20G+1 0.47131 0.90257 0.00000 0.16009 0.00000
|
|
74 20G-1 -0.17405 0.40993 0.00000 0.18635 0.00000
|
|
75 20G+2 0.00000 0.00000 -0.78393 0.00000 0.59506
|
|
76 20G-2 0.00000 0.00000 0.30157 0.00000 0.39116
|
|
77 20G+3 -0.58359 -0.52306 0.00000 0.59008 0.00000
|
|
78 20G-3 -0.02557 -0.11554 0.00000 0.49060 0.00000
|
|
79 20G+4 0.00000 0.00000 -0.04896 0.00000 -0.21035
|
|
80 20G-4 0.00000 0.00000 -0.28099 0.00000 0.00243
|
|
81 21H 0 0.01522 0.07568 0.00000 -0.02116 0.00000
|
|
82 21H+1 0.00000 0.00000 0.03649 0.00000 0.00489
|
|
83 21H-1 0.00000 0.00000 0.06655 0.00000 -0.01309
|
|
84 21H+2 -0.04883 -0.05558 0.00000 0.02760 0.00000
|
|
85 21H-2 0.02744 0.06442 0.00000 0.02039 0.00000
|
|
86 21H+3 0.00000 0.00000 -0.03053 0.00000 0.04670
|
|
87 21H-3 0.00000 0.00000 -0.04975 0.00000 0.01618
|
|
88 21H+4 0.03636 0.02833 0.00000 0.02117 0.00000
|
|
89 21H-4 -0.00552 -0.06198 0.00000 -0.00312 0.00000
|
|
90 21H+5 0.00000 0.00000 -0.01788 0.00000 0.03320
|
|
91 21H-5 0.00000 0.00000 0.02883 0.00000 0.03399
|
|
92 2 S 1S 0.00000 0.00000 0.00901 0.00000 -0.00499
|
|
93 2S 0.00000 0.00000 -0.00933 0.00000 0.01234
|
|
94 3S 0.00000 0.00000 0.07838 0.00000 -0.02198
|
|
95 4S 0.00000 0.00000 0.10846 0.00000 0.09229
|
|
96 5S 0.00000 0.00000 -0.95428 0.00000 0.33776
|
|
97 6S 0.00000 0.00000 3.00435 0.00000 -2.53931
|
|
98 7S 0.00000 0.00000 1.02934 0.00000 -0.49245
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|
|
355 4S 0.63823 4.12686 -5.58857 3.99474 -0.60832
|
|
356 5S -0.06964 -0.23324 -0.22062 -0.10044 0.05481
|
|
357 6PX -0.00532 -0.00020 0.00079 0.00783 0.00544
|
|
358 6PY 0.00196 -0.00310 -0.00546 -0.01033 0.00385
|
|
359 6PZ 0.00250 0.00548 0.00746 0.00186 0.00665
|
|
360 7PX 0.03999 0.04722 -0.05934 -0.04329 -0.00833
|
|
361 7PY -0.00814 0.03083 0.02140 0.08477 -0.03937
|
|
362 7PZ -0.02481 -0.03922 -0.02440 -0.04728 -0.05135
|
|
363 8PX -1.08276 -1.66391 1.68709 -0.58078 -0.03773
|
|
364 8PY 0.02764 -0.69267 0.29955 -1.50452 0.76390
|
|
365 8PZ 0.62189 1.62438 -0.62844 1.72650 -0.41692
|
|
366 9PX -0.50364 -0.71541 1.75189 -1.09357 -0.04502
|
|
367 9PY 0.09317 -0.38757 0.78538 -0.41842 -0.33820
|
|
368 9PZ 0.04724 0.93606 -2.41607 1.25062 -0.39088
|
|
369 10D 0 -0.00730 0.00424 -0.00411 -0.01405 -0.00332
|
|
370 10D+1 -0.01378 0.01305 -0.01943 0.02251 0.01142
|
|
371 10D-1 0.03005 0.00719 0.00589 0.00127 -0.02243
|
|
372 10D+2 -0.01953 -0.01599 0.00223 0.02368 -0.01594
|
|
373 10D-2 0.00722 -0.03526 0.00620 0.00152 -0.00946
|
|
374 11D 0 0.05188 -0.03651 0.03431 0.12916 -0.00964
|
|
375 11D+1 0.04089 -0.18214 0.23100 -0.17550 -0.07901
|
|
376 11D-1 -0.17526 -0.07435 0.00096 -0.08305 0.17631
|
|
377 11D+2 0.11830 0.12942 -0.06031 -0.14121 0.12245
|
|
378 11D-2 -0.02645 0.25033 -0.09424 0.02257 0.03914
|
|
379 12D 0 -0.11748 -0.05559 -0.01252 0.18630 -0.09503
|
|
380 12D+1 -0.53089 -0.55849 0.98632 -0.08398 -0.17281
|
|
381 12D-1 0.38711 0.07811 0.11178 -0.59158 0.15873
|
|
382 12D+2 0.11932 0.20590 -0.45209 0.17970 0.02690
|
|
383 12D-2 0.28880 0.28347 -0.74527 0.41421 0.09152
|
|
384 13F 0 0.00438 -0.00492 0.00905 0.00285 -0.02414
|
|
385 13F+1 -0.02196 0.01191 0.00797 0.01211 -0.00773
|
|
386 13F-1 0.03333 -0.01066 -0.00112 -0.00968 -0.01214
|
|
387 13F+2 -0.04534 0.03562 -0.00322 0.00359 -0.00735
|
|
388 13F-2 0.02712 0.03043 -0.01232 0.01913 -0.01987
|
|
389 13F+3 -0.04310 -0.00465 0.01194 -0.03546 -0.00439
|
|
390 13F-3 -0.00996 0.04835 0.00593 0.00072 0.00926
|
|
391 14F 0 -0.07200 -0.13125 0.07236 -0.00006 0.14986
|
|
392 14F+1 0.08279 -0.24210 0.09438 -0.12714 -0.01801
|
|
393 14F-1 -0.20121 0.16459 -0.03990 -0.08140 0.17331
|
|
394 14F+2 0.40336 -0.14104 -0.18581 -0.06721 0.20122
|
|
395 14F-2 -0.16231 -0.08111 -0.13890 -0.07549 0.14148
|
|
396 14F+3 0.35748 0.06218 -0.11191 0.28383 -0.02946
|
|
397 14F-3 0.05747 -0.46313 0.12169 -0.01564 -0.10356
|
|
398 15G 0 -0.00382 -0.00892 0.00537 -0.00217 -0.00581
|
|
399 15G+1 -0.00454 -0.00244 -0.00056 0.00198 0.00090
|
|
400 15G-1 0.00972 0.00927 -0.00479 -0.00705 0.00147
|
|
401 15G+2 0.00574 0.01098 -0.01281 -0.00236 0.00783
|
|
402 15G-2 0.00109 0.00311 -0.01039 0.00261 0.00240
|
|
403 15G+3 0.00182 0.00171 -0.00226 -0.00231 -0.00527
|
|
404 15G-3 -0.00234 -0.00477 0.01619 -0.00211 -0.00086
|
|
405 15G+4 -0.00178 -0.00293 0.00541 0.00217 0.00199
|
|
406 15G-4 -0.00163 -0.00093 -0.00347 0.00411 0.00082
|
|
161 162 163 164 165
|
|
V V V V V
|
|
Eigenvalues -- 4.25981 4.32182 4.34595 4.37258 4.42453
|
|
1 1 C 1S -0.04326 0.00000 -0.07175 0.00000 0.00251
|
|
2 2S 0.00935 0.00000 0.03624 0.00000 -0.03226
|
|
3 3S -0.54609 0.00000 -0.77947 0.00000 -0.12357
|
|
4 4S 0.79930 0.00000 -0.27086 0.00000 -0.56581
|
|
5 5S 13.11467 0.00000 28.48228 0.00000 3.14256
|
|
6 6S 3.19008 0.00000 7.77019 0.00000 -0.63812
|
|
7 7PX -0.01869 0.00000 0.00953 0.00000 -0.01284
|
|
8 7PY 0.00733 0.00000 0.01858 0.00000 0.01899
|
|
9 7PZ 0.00000 0.01534 0.00000 -0.02231 0.00000
|
|
10 8PX -0.46111 0.00000 -0.04557 0.00000 0.52241
|
|
11 8PY 0.05614 0.00000 0.29238 0.00000 0.78706
|
|
12 8PZ 0.00000 0.14545 0.00000 0.94084 0.00000
|
|
13 9PX 2.92797 0.00000 1.21766 0.00000 -3.69465
|
|
14 9PY 1.27204 0.00000 1.73859 0.00000 -4.03865
|
|
15 9PZ 0.00000 2.15056 0.00000 -7.45262 0.00000
|
|
16 10PX 2.18002 0.00000 1.21485 0.00000 2.12174
|
|
17 10PY 1.23009 0.00000 0.65700 0.00000 -0.26015
|
|
18 10PZ 0.00000 0.02428 0.00000 0.13746 0.00000
|
|
19 11PX 0.07841 0.00000 0.25689 0.00000 -0.53566
|
|
20 11PY 0.08011 0.00000 0.14433 0.00000 -0.19918
|
|
21 11PZ 0.00000 0.01962 0.00000 -0.70035 0.00000
|
|
22 12D 0 -0.02163 0.00000 -0.03161 0.00000 -0.00338
|
|
23 12D+1 0.00000 -0.01350 0.00000 0.00454 0.00000
|
|
24 12D-1 0.00000 0.00780 0.00000 -0.01935 0.00000
|
|
25 12D+2 -0.00549 0.00000 -0.03068 0.00000 0.00897
|
|
26 12D-2 -0.01449 0.00000 -0.00604 0.00000 -0.00928
|
|
27 13D 0 0.00453 0.00000 0.31489 0.00000 -0.45307
|
|
28 13D+1 0.00000 0.18019 0.00000 -0.63858 0.00000
|
|
29 13D-1 0.00000 -0.14532 0.00000 0.41422 0.00000
|
|
30 13D+2 0.08854 0.00000 0.15280 0.00000 -0.20239
|
|
31 13D-2 0.13464 0.00000 -0.00907 0.00000 0.27208
|
|
32 14D 0 3.35221 0.00000 -0.40848 0.00000 6.59772
|
|
33 14D+1 0.00000 -0.04647 0.00000 7.55023 0.00000
|
|
34 14D-1 0.00000 2.17344 0.00000 -5.20444 0.00000
|
|
35 14D+2 -0.92232 0.00000 1.02642 0.00000 0.73418
|
|
36 14D-2 -1.21555 0.00000 1.10644 0.00000 -3.71297
|
|
37 15D 0 1.50252 0.00000 0.97059 0.00000 2.57934
|
|
38 15D+1 0.00000 -0.15006 0.00000 2.69905 0.00000
|
|
39 15D-1 0.00000 1.90071 0.00000 -3.00042 0.00000
|
|
40 15D+2 0.01153 0.00000 0.59014 0.00000 -0.67925
|
|
41 15D-2 0.13788 0.00000 0.54399 0.00000 -1.46411
|
|
42 16F 0 0.00000 0.01051 0.00000 -0.06510 0.00000
|
|
43 16F+1 -0.03111 0.00000 -0.04702 0.00000 -0.06998
|
|
44 16F-1 -0.01579 0.00000 -0.05840 0.00000 0.01078
|
|
45 16F+2 0.00000 -0.00335 0.00000 -0.07947 0.00000
|
|
46 16F-2 0.00000 -0.02951 0.00000 -0.04608 0.00000
|
|
47 16F+3 -0.01230 0.00000 0.02928 0.00000 -0.07004
|
|
48 16F-3 -0.04540 0.00000 -0.06622 0.00000 0.04044
|
|
49 17F 0 0.00000 -0.20410 0.00000 0.61200 0.00000
|
|
50 17F+1 0.63898 0.00000 0.96318 0.00000 0.79376
|
|
51 17F-1 0.38238 0.00000 0.80195 0.00000 -0.00074
|
|
52 17F+2 0.00000 -0.02817 0.00000 0.78617 0.00000
|
|
53 17F-2 0.00000 0.36585 0.00000 0.46082 0.00000
|
|
54 17F+3 0.13039 0.00000 -0.48090 0.00000 0.61803
|
|
55 17F-3 0.52964 0.00000 0.79058 0.00000 -0.38875
|
|
56 18F 0 0.00000 -0.61878 0.00000 -0.31263 0.00000
|
|
57 18F+1 0.70673 0.00000 0.82772 0.00000 0.65212
|
|
58 18F-1 -0.17263 0.00000 -0.46136 0.00000 1.08127
|
|
59 18F+2 0.00000 -0.20254 0.00000 -0.36298 0.00000
|
|
60 18F-2 0.00000 0.40815 0.00000 0.95040 0.00000
|
|
61 18F+3 1.62644 0.00000 -0.54582 0.00000 -0.23533
|
|
62 18F-3 -0.35824 0.00000 -0.63846 0.00000 -0.57006
|
|
63 19G 0 0.00391 0.00000 -0.01099 0.00000 -0.01025
|
|
64 19G+1 0.00000 -0.00039 0.00000 0.00061 0.00000
|
|
65 19G-1 0.00000 0.02484 0.00000 -0.01085 0.00000
|
|
66 19G+2 0.02446 0.00000 -0.00317 0.00000 0.00054
|
|
67 19G-2 0.03972 0.00000 0.07737 0.00000 0.00645
|
|
68 19G+3 0.00000 -0.06218 0.00000 0.02749 0.00000
|
|
69 19G-3 0.00000 0.02011 0.00000 0.00046 0.00000
|
|
70 19G+4 0.01416 0.00000 0.03513 0.00000 0.00935
|
|
71 19G-4 -0.02644 0.00000 -0.00968 0.00000 0.00877
|
|
72 20G 0 0.20829 0.00000 -0.07036 0.00000 1.72723
|
|
73 20G+1 0.00000 0.05921 0.00000 -1.11281 0.00000
|
|
74 20G-1 0.00000 -0.13545 0.00000 -0.40874 0.00000
|
|
75 20G+2 -0.15075 0.00000 0.13223 0.00000 0.26993
|
|
76 20G-2 0.01680 0.00000 0.05990 0.00000 -0.53933
|
|
77 20G+3 0.00000 0.42982 0.00000 1.27473 0.00000
|
|
78 20G-3 0.00000 0.00600 0.00000 -0.08446 0.00000
|
|
79 20G+4 -0.26665 0.00000 -0.28031 0.00000 0.17325
|
|
80 20G-4 0.03290 0.00000 -0.07302 0.00000 -0.23370
|
|
81 21H 0 0.00000 0.03178 0.00000 -0.12073 0.00000
|
|
82 21H+1 0.07956 0.00000 -0.06056 0.00000 0.18096
|
|
83 21H-1 0.01759 0.00000 -0.01820 0.00000 0.18960
|
|
84 21H+2 0.00000 -0.05434 0.00000 0.24100 0.00000
|
|
85 21H-2 0.00000 0.00438 0.00000 -0.11447 0.00000
|
|
86 21H+3 -0.02934 0.00000 0.00305 0.00000 0.09637
|
|
87 21H-3 -0.02750 0.00000 0.01348 0.00000 -0.07141
|
|
88 21H+4 0.00000 -0.01025 0.00000 -0.04451 0.00000
|
|
89 21H-4 0.00000 0.02160 0.00000 0.19205 0.00000
|
|
90 21H+5 0.03358 0.00000 0.00645 0.00000 0.01700
|
|
91 21H-5 0.02149 0.00000 -0.01321 0.00000 0.02332
|
|
92 2 S 1S 0.00815 0.00000 0.02314 0.00000 -0.00469
|
|
93 2S -0.00824 0.00000 -0.02788 0.00000 0.01636
|
|
94 3S 0.06755 0.00000 0.16746 0.00000 -0.00272
|
|
95 4S 0.00884 0.00000 -0.11203 0.00000 0.19367
|
|
96 5S 0.27895 0.00000 -0.39031 0.00000 0.61101
|
|
97 6S 0.77705 0.00000 6.49198 0.00000 -3.80079
|
|
98 7S -0.73919 0.00000 -1.20320 0.00000 -0.39381
|
|
99 8PX 0.00306 0.00000 -0.02137 0.00000 0.01392
|
|
100 8PY 0.01958 0.00000 0.05081 0.00000 -0.01184
|
|
101 8PZ 0.00000 -0.03234 0.00000 0.01357 0.00000
|
|
102 9PX 0.00026 0.00000 0.03191 0.00000 -0.01620
|
|
103 9PY -0.12678 0.00000 -0.30512 0.00000 0.07220
|
|
104 9PZ 0.00000 0.18120 0.00000 -0.07728 0.00000
|
|
105 10PX 0.06308 0.00000 -0.10143 0.00000 0.14049
|
|
106 10PY -0.62191 0.00000 -1.46504 0.00000 0.36129
|
|
107 10PZ 0.00000 0.79794 0.00000 -0.34217 0.00000
|
|
108 11PX -0.44170 0.00000 0.39898 0.00000 -0.56631
|
|
109 11PY 1.55421 0.00000 3.71945 0.00000 -0.76695
|
|
110 11PZ 0.00000 -1.28753 0.00000 0.81390 0.00000
|
|
111 12PX 1.56012 0.00000 8.14211 0.00000 -4.70943
|
|
112 12PY -2.41122 0.00000 -8.23878 0.00000 1.21698
|
|
113 12PZ 0.00000 1.55908 0.00000 -2.70995 0.00000
|
|
114 13PX 0.07571 0.00000 0.25659 0.00000 -0.07750
|
|
115 13PY -0.20286 0.00000 -0.53475 0.00000 0.08905
|
|
116 13PZ 0.00000 -0.00933 0.00000 0.09696 0.00000
|
|
117 14D 0 0.17031 0.00000 -0.22986 0.00000 0.22199
|
|
118 14D+1 0.00000 -0.18795 0.00000 -0.31567 0.00000
|
|
119 14D-1 0.00000 1.32351 0.00000 -1.86045 0.00000
|
|
120 14D+2 1.83248 0.00000 6.45600 0.00000 -1.60794
|
|
121 14D-2 -0.15317 0.00000 -0.80152 0.00000 -1.48358
|
|
122 15D 0 0.04445 0.00000 -0.65554 0.00000 1.13738
|
|
123 15D+1 0.00000 0.19429 0.00000 -0.31027 0.00000
|
|
124 15D-1 0.00000 -0.55456 0.00000 -0.22872 0.00000
|
|
125 15D+2 -0.55964 0.00000 1.03997 0.00000 -0.91342
|
|
126 15D-2 0.26050 0.00000 -0.73369 0.00000 0.17344
|
|
127 16D 0 -0.05242 0.00000 -0.06489 0.00000 -0.33031
|
|
128 16D+1 0.00000 -0.11844 0.00000 0.09488 0.00000
|
|
129 16D-1 0.00000 0.23113 0.00000 0.19626 0.00000
|
|
130 16D+2 -0.03066 0.00000 -0.45514 0.00000 0.16213
|
|
131 16D-2 -0.21199 0.00000 0.18340 0.00000 0.05748
|
|
132 17D 0 -0.00411 0.00000 -0.01980 0.00000 -0.00985
|
|
133 17D+1 0.00000 -0.01015 0.00000 -0.00496 0.00000
|
|
134 17D-1 0.00000 0.01841 0.00000 0.02734 0.00000
|
|
135 17D+2 -0.01889 0.00000 -0.00545 0.00000 -0.01541
|
|
136 17D-2 -0.04104 0.00000 -0.00222 0.00000 0.02446
|
|
137 18F 0 0.00000 -0.34796 0.00000 0.76576 0.00000
|
|
138 18F+1 -0.09807 0.00000 -0.77010 0.00000 0.51831
|
|
139 18F-1 0.25691 0.00000 0.83840 0.00000 -0.11071
|
|
140 18F+2 0.00000 -0.69414 0.00000 0.85586 0.00000
|
|
141 18F-2 0.00000 0.05412 0.00000 -0.12752 0.00000
|
|
142 18F+3 0.41351 0.00000 1.34538 0.00000 0.59948
|
|
143 18F-3 0.70569 0.00000 1.13177 0.00000 -0.38206
|
|
144 19F 0 0.00000 0.01454 0.00000 0.10707 0.00000
|
|
145 19F+1 0.08223 0.00000 -0.50283 0.00000 0.50428
|
|
146 19F-1 0.05019 0.00000 0.33840 0.00000 0.10757
|
|
147 19F+2 0.00000 -0.04731 0.00000 -0.36194 0.00000
|
|
148 19F-2 0.00000 -0.08918 0.00000 0.00953 0.00000
|
|
149 19F+3 -0.47395 0.00000 0.21150 0.00000 -0.67517
|
|
150 19F-3 -0.47506 0.00000 -0.52340 0.00000 0.05884
|
|
151 20F 0 0.00000 0.05594 0.00000 -0.00812 0.00000
|
|
152 20F+1 -0.02525 0.00000 0.03018 0.00000 -0.04179
|
|
153 20F-1 -0.07661 0.00000 -0.02596 0.00000 0.05261
|
|
154 20F+2 0.00000 0.07085 0.00000 0.10381 0.00000
|
|
155 20F-2 0.00000 0.07751 0.00000 -0.05836 0.00000
|
|
156 20F+3 0.04412 0.00000 0.08654 0.00000 0.22827
|
|
157 20F-3 0.16540 0.00000 -0.01078 0.00000 0.01465
|
|
158 21G 0 -0.03140 0.00000 0.02973 0.00000 -0.39826
|
|
159 21G+1 0.00000 -0.02991 0.00000 0.13451 0.00000
|
|
160 21G-1 0.00000 -0.12091 0.00000 0.28380 0.00000
|
|
161 21G+2 -0.01282 0.00000 -0.64967 0.00000 0.16163
|
|
162 21G-2 0.04185 0.00000 0.08471 0.00000 0.00664
|
|
163 21G+3 0.00000 -0.40057 0.00000 -0.14167 0.00000
|
|
164 21G-3 0.00000 -0.39499 0.00000 0.06627 0.00000
|
|
165 21G+4 -0.19839 0.00000 0.02640 0.00000 0.07640
|
|
166 21G-4 0.06230 0.00000 -0.07891 0.00000 0.13056
|
|
167 22G 0 0.00124 0.00000 0.08751 0.00000 0.05659
|
|
168 22G+1 0.00000 0.03578 0.00000 -0.00685 0.00000
|
|
169 22G-1 0.00000 -0.02752 0.00000 0.05322 0.00000
|
|
170 22G+2 -0.00707 0.00000 0.00786 0.00000 0.06646
|
|
171 22G-2 0.01155 0.00000 0.02489 0.00000 0.04473
|
|
172 22G+3 0.00000 0.11525 0.00000 0.04134 0.00000
|
|
173 22G-3 0.00000 0.04992 0.00000 0.08386 0.00000
|
|
174 22G+4 0.03137 0.00000 0.07898 0.00000 -0.07032
|
|
175 22G-4 -0.00725 0.00000 -0.05798 0.00000 0.08237
|
|
176 23H 0 0.00000 -0.02054 0.00000 -0.05079 0.00000
|
|
177 23H+1 0.00336 0.00000 0.02238 0.00000 -0.00950
|
|
178 23H-1 -0.05344 0.00000 0.00115 0.00000 0.10194
|
|
179 23H+2 0.00000 -0.02548 0.00000 -0.07671 0.00000
|
|
180 23H-2 0.00000 0.03439 0.00000 -0.10485 0.00000
|
|
181 23H+3 0.01458 0.00000 -0.03284 0.00000 -0.04112
|
|
182 23H-3 0.01051 0.00000 0.06572 0.00000 0.04680
|
|
183 23H+4 0.00000 0.06939 0.00000 -0.04936 0.00000
|
|
184 23H-4 0.00000 0.13815 0.00000 0.03999 0.00000
|
|
185 23H+5 -0.03972 0.00000 0.04098 0.00000 -0.07423
|
|
186 23H-5 -0.03701 0.00000 -0.17681 0.00000 0.05924
|
|
187 3 H 1S 0.00048 0.00000 -0.01401 0.00000 0.01206
|
|
188 2S 0.02384 0.00000 1.07957 0.00000 -0.65551
|
|
189 3S -0.04175 0.00000 -5.89931 0.00000 3.14614
|
|
190 4S -1.80846 0.00000 -8.36007 0.00000 3.05111
|
|
191 5S 0.17886 0.00000 0.44988 0.00000 -0.02565
|
|
192 6PX -0.00474 0.00000 0.01653 0.00000 -0.00370
|
|
193 6PY -0.01488 0.00000 -0.00179 0.00000 -0.00012
|
|
194 6PZ 0.00000 -0.00031 0.00000 -0.00445 0.00000
|
|
195 7PX 0.03646 0.00000 -0.17796 0.00000 0.07303
|
|
196 7PY 0.08354 0.00000 0.01541 0.00000 0.00244
|
|
197 7PZ 0.00000 0.00301 0.00000 0.02511 0.00000
|
|
198 8PX -0.35270 0.00000 1.84610 0.00000 -1.39884
|
|
199 8PY 0.11604 0.00000 -0.07286 0.00000 0.32238
|
|
200 8PZ 0.00000 0.11036 0.00000 0.23109 0.00000
|
|
201 9PX 0.61982 0.00000 3.77091 0.00000 -1.60196
|
|
202 9PY -0.06052 0.00000 -0.58830 0.00000 0.76683
|
|
203 9PZ 0.00000 0.20281 0.00000 0.27690 0.00000
|
|
204 10D 0 0.00525 0.00000 -0.01452 0.00000 0.03135
|
|
205 10D+1 0.00000 -0.00576 0.00000 0.00859 0.00000
|
|
206 10D-1 0.00000 -0.02815 0.00000 -0.03283 0.00000
|
|
207 10D+2 0.00769 0.00000 0.02110 0.00000 -0.01907
|
|
208 10D-2 0.02757 0.00000 0.00628 0.00000 0.00453
|
|
209 11D 0 -0.03115 0.00000 0.09250 0.00000 -0.18684
|
|
210 11D+1 0.00000 0.03255 0.00000 -0.04335 0.00000
|
|
211 11D-1 0.00000 0.15718 0.00000 0.18271 0.00000
|
|
212 11D+2 -0.04576 0.00000 -0.12993 0.00000 0.13581
|
|
213 11D-2 -0.15815 0.00000 -0.02363 0.00000 -0.02386
|
|
214 12D 0 -0.12202 0.00000 0.32737 0.00000 -0.49181
|
|
215 12D+1 0.00000 -0.08909 0.00000 -0.31360 0.00000
|
|
216 12D-1 0.00000 0.14664 0.00000 0.11083 0.00000
|
|
217 12D+2 0.04512 0.00000 -0.67264 0.00000 0.27146
|
|
218 12D-2 -0.22942 0.00000 -0.07815 0.00000 -0.32610
|
|
219 13F 0 0.00000 -0.01817 0.00000 0.01066 0.00000
|
|
220 13F+1 -0.00519 0.00000 0.01957 0.00000 -0.04616
|
|
221 13F-1 0.02094 0.00000 0.00672 0.00000 -0.00598
|
|
222 13F+2 0.00000 0.00351 0.00000 -0.00463 0.00000
|
|
223 13F-2 0.00000 0.05775 0.00000 0.03608 0.00000
|
|
224 13F+3 -0.01216 0.00000 -0.00311 0.00000 -0.02296
|
|
225 13F-3 -0.03868 0.00000 -0.03102 0.00000 -0.00346
|
|
226 14F 0 0.00000 0.14625 0.00000 -0.11647 0.00000
|
|
227 14F+1 0.06333 0.00000 -0.26775 0.00000 0.47957
|
|
228 14F-1 -0.18060 0.00000 -0.05401 0.00000 0.04607
|
|
229 14F+2 0.00000 -0.03734 0.00000 0.07352 0.00000
|
|
230 14F-2 0.00000 -0.49316 0.00000 -0.31228 0.00000
|
|
231 14F+3 0.09602 0.00000 0.16574 0.00000 0.08664
|
|
232 14F-3 0.39397 0.00000 0.29091 0.00000 0.09110
|
|
233 15G 0 0.00140 0.00000 -0.00244 0.00000 0.00097
|
|
234 15G+1 0.00000 0.00003 0.00000 0.00310 0.00000
|
|
235 15G-1 0.00000 0.00135 0.00000 -0.00073 0.00000
|
|
236 15G+2 -0.00063 0.00000 0.00516 0.00000 -0.00161
|
|
237 15G-2 0.00076 0.00000 0.00058 0.00000 0.00100
|
|
238 15G+3 0.00000 -0.00021 0.00000 -0.00307 0.00000
|
|
239 15G-3 0.00000 -0.00124 0.00000 -0.00145 0.00000
|
|
240 15G+4 0.00074 0.00000 -0.00974 0.00000 0.00379
|
|
241 15G-4 -0.00365 0.00000 -0.00170 0.00000 -0.00462
|
|
242 4 H 1S -0.00022 0.00000 -0.00739 0.00000 0.01061
|
|
243 2S 0.14687 0.00000 0.55181 0.00000 -0.52322
|
|
244 3S 1.29665 0.00000 -4.66691 0.00000 0.36873
|
|
245 4S -1.25339 0.00000 -4.26702 0.00000 1.24856
|
|
246 5S -0.03306 0.00000 -0.11001 0.00000 -0.47240
|
|
247 6PX -0.00173 0.00000 0.00175 0.00000 0.00766
|
|
248 6PY -0.00794 0.00000 0.00595 0.00000 -0.00396
|
|
249 6PZ 0.00000 0.00153 0.00000 0.00571 0.00000
|
|
250 7PX 0.02774 0.00000 0.06160 0.00000 -0.06748
|
|
251 7PY 0.05990 0.00000 -0.04923 0.00000 0.04780
|
|
252 7PZ 0.00000 -0.00232 0.00000 -0.16605 0.00000
|
|
253 8PX -0.22207 0.00000 -2.07725 0.00000 -0.26091
|
|
254 8PY -1.48487 0.00000 1.06076 0.00000 0.11148
|
|
255 8PZ 0.00000 -0.28745 0.00000 4.40788 0.00000
|
|
256 9PX -1.12165 0.00000 -2.10351 0.00000 0.00333
|
|
257 9PY -0.73006 0.00000 1.11064 0.00000 -0.15521
|
|
258 9PZ 0.00000 -0.36215 0.00000 3.42742 0.00000
|
|
259 10D 0 0.03439 0.00000 -0.03054 0.00000 0.00190
|
|
260 10D+1 0.00000 0.01251 0.00000 -0.09537 0.00000
|
|
261 10D-1 0.00000 -0.00302 0.00000 0.03052 0.00000
|
|
262 10D+2 0.01239 0.00000 0.01391 0.00000 0.01496
|
|
263 10D-2 -0.01523 0.00000 0.00659 0.00000 0.00276
|
|
264 11D 0 -0.18989 0.00000 0.24120 0.00000 0.02040
|
|
265 11D+1 0.00000 -0.05992 0.00000 0.76224 0.00000
|
|
266 11D-1 0.00000 0.02219 0.00000 -0.25784 0.00000
|
|
267 11D+2 -0.08234 0.00000 -0.21201 0.00000 -0.12407
|
|
268 11D-2 0.06902 0.00000 0.00050 0.00000 -0.00415
|
|
269 12D 0 0.43054 0.00000 0.48373 0.00000 -0.01226
|
|
270 12D+1 0.00000 -0.36428 0.00000 3.39633 0.00000
|
|
271 12D-1 0.00000 -0.14574 0.00000 -0.96594 0.00000
|
|
272 12D+2 -0.72147 0.00000 -0.31513 0.00000 -0.09511
|
|
273 12D-2 -1.06099 0.00000 0.64435 0.00000 0.11324
|
|
274 13F 0 0.00000 -0.07051 0.00000 0.00704 0.00000
|
|
275 13F+1 0.02495 0.00000 -0.01557 0.00000 0.00618
|
|
276 13F-1 0.01443 0.00000 -0.01688 0.00000 0.04447
|
|
277 13F+2 0.00000 -0.02876 0.00000 -0.01471 0.00000
|
|
278 13F-2 0.00000 0.01343 0.00000 0.02100 0.00000
|
|
279 13F+3 0.01683 0.00000 -0.03430 0.00000 0.01044
|
|
280 13F-3 -0.00389 0.00000 0.01688 0.00000 -0.00230
|
|
281 14F 0 0.00000 0.61881 0.00000 -0.78500 0.00000
|
|
282 14F+1 -0.14655 0.00000 0.33698 0.00000 0.01196
|
|
283 14F-1 -0.05675 0.00000 0.08326 0.00000 -0.36601
|
|
284 14F+2 0.00000 0.14728 0.00000 0.87224 0.00000
|
|
285 14F-2 0.00000 -0.11175 0.00000 -0.74769 0.00000
|
|
286 14F+3 -0.35967 0.00000 0.16712 0.00000 -0.14340
|
|
287 14F-3 -0.08559 0.00000 -0.00912 0.00000 -0.02952
|
|
288 15G 0 -0.00116 0.00000 -0.00768 0.00000 -0.00358
|
|
289 15G+1 0.00000 0.00823 0.00000 -0.04929 0.00000
|
|
290 15G-1 0.00000 -0.00104 0.00000 0.01564 0.00000
|
|
291 15G+2 0.00780 0.00000 0.00540 0.00000 0.00370
|
|
292 15G-2 0.00299 0.00000 -0.00855 0.00000 -0.00186
|
|
293 15G+3 0.00000 -0.00542 0.00000 0.02940 0.00000
|
|
294 15G-3 0.00000 -0.00138 0.00000 -0.03575 0.00000
|
|
295 15G+4 -0.01979 0.00000 0.00228 0.00000 -0.00300
|
|
296 15G-4 -0.00483 0.00000 0.00386 0.00000 -0.00261
|
|
297 5 H 1S -0.00732 -0.00737 -0.01335 -0.00514 -0.00474
|
|
298 2S 0.56250 0.35485 0.93424 0.41482 0.44429
|
|
299 3S -4.73740 -1.91427 -6.18789 0.05787 -2.53459
|
|
300 4S -3.97746 -2.00090 -6.57763 1.24951 -0.77354
|
|
301 5S -0.09642 0.05131 -0.32927 0.37023 0.30239
|
|
302 6PX 0.00690 0.00213 0.00298 -0.00591 0.00441
|
|
303 6PY 0.00842 0.00179 0.00839 0.00132 0.00659
|
|
304 6PZ -0.00171 0.00529 0.00478 -0.00332 -0.00893
|
|
305 7PX -0.09465 -0.02903 -0.04677 0.09643 -0.09292
|
|
306 7PY -0.08137 -0.02785 -0.08638 -0.06144 -0.12991
|
|
307 7PZ -0.03447 -0.06099 -0.11977 -0.00778 0.08966
|
|
308 8PX 1.45651 0.37728 0.87074 -2.63461 2.21670
|
|
309 8PY 1.62909 -0.23643 1.01658 1.23570 2.60308
|
|
310 8PZ 1.23208 1.15683 2.67660 0.12088 -1.66083
|
|
311 9PX 0.92884 0.68951 1.16978 -2.33838 1.74656
|
|
312 9PY 1.34103 -0.63603 1.01306 1.28173 1.64416
|
|
313 9PZ 1.20931 1.33998 2.77033 -0.27844 -1.33261
|
|
314 10D 0 -0.00620 0.00072 0.02114 0.02261 -0.05086
|
|
315 10D+1 0.03510 -0.00661 -0.00056 -0.02827 0.01641
|
|
316 10D-1 0.00297 0.00553 0.02520 0.01688 0.03554
|
|
317 10D+2 -0.00171 0.01581 0.00545 -0.03178 0.00824
|
|
318 10D-2 0.00170 0.02601 -0.00603 -0.00516 0.01974
|
|
319 11D 0 -0.00872 -0.00024 -0.20903 -0.17388 0.42563
|
|
320 11D+1 -0.28534 0.04319 -0.06798 0.24295 -0.14743
|
|
321 11D-1 -0.06187 -0.04875 -0.21054 -0.16925 -0.29126
|
|
322 11D+2 -0.01463 -0.07120 -0.03572 0.24547 -0.04333
|
|
323 11D-2 -0.05656 -0.15727 0.01098 0.04693 -0.23135
|
|
324 12D 0 0.25449 -0.67680 -0.98462 -0.35325 2.39361
|
|
325 12D+1 -0.45335 -0.52512 -0.66031 1.71027 -0.45104
|
|
326 12D-1 -0.82686 0.11999 -0.32847 -1.10187 -0.94105
|
|
327 12D+2 0.05817 -0.35353 0.16166 1.47182 -0.01678
|
|
328 12D-2 -0.46974 0.32411 -0.15312 0.25660 -1.50384
|
|
329 13F 0 0.02695 -0.01580 0.00442 -0.00365 0.01062
|
|
330 13F+1 0.00609 0.01870 -0.00193 0.00004 -0.00025
|
|
331 13F-1 -0.00851 -0.01094 0.01881 -0.01242 0.00179
|
|
332 13F+2 -0.02484 -0.03994 0.03477 0.00537 0.01067
|
|
333 13F-2 0.03319 -0.00402 0.01766 0.03074 0.00016
|
|
334 13F+3 0.05991 0.01453 -0.02186 0.01284 -0.02723
|
|
335 13F-3 0.01344 0.00296 -0.01858 -0.02366 -0.02247
|
|
336 14F 0 -0.35690 0.20304 0.14969 0.21119 -0.85072
|
|
337 14F+1 0.09230 -0.10524 0.24958 -0.32545 -0.25083
|
|
338 14F-1 0.14444 0.13603 0.05418 0.51303 -0.00737
|
|
339 14F+2 0.23577 0.40214 -0.28905 -0.60817 -0.15372
|
|
340 14F-2 -0.04825 0.03372 -0.04306 -0.28002 0.54330
|
|
341 14F+3 -0.52793 -0.06730 0.15704 -0.24981 0.01947
|
|
342 14F-3 -0.03072 0.00795 0.15937 0.03679 0.43934
|
|
343 15G 0 0.00950 -0.00506 -0.00511 -0.00895 0.03181
|
|
344 15G+1 0.00175 -0.00445 -0.01453 0.01339 0.03488
|
|
345 15G-1 0.00112 -0.00790 -0.00920 -0.01909 0.01825
|
|
346 15G+2 -0.00040 -0.00716 -0.00120 0.04008 0.01084
|
|
347 15G-2 -0.01122 0.00156 -0.01028 -0.00079 -0.01531
|
|
348 15G+3 0.00751 -0.00923 0.00066 0.01914 0.01752
|
|
349 15G-3 -0.00537 -0.00341 -0.00153 0.01747 -0.01900
|
|
350 15G+4 0.00161 -0.00043 -0.00012 -0.00001 0.00908
|
|
351 15G-4 0.00201 -0.00321 0.00031 0.00683 -0.00384
|
|
352 6 H 1S -0.00732 0.00737 -0.01335 0.00514 -0.00474
|
|
353 2S 0.56250 -0.35485 0.93424 -0.41482 0.44429
|
|
354 3S -4.73740 1.91427 -6.18789 -0.05787 -2.53459
|
|
355 4S -3.97746 2.00090 -6.57763 -1.24951 -0.77354
|
|
356 5S -0.09642 -0.05131 -0.32927 -0.37023 0.30239
|
|
357 6PX 0.00690 -0.00213 0.00298 0.00591 0.00441
|
|
358 6PY 0.00842 -0.00179 0.00839 -0.00132 0.00659
|
|
359 6PZ 0.00171 0.00529 -0.00478 -0.00332 0.00893
|
|
360 7PX -0.09465 0.02903 -0.04677 -0.09643 -0.09292
|
|
361 7PY -0.08137 0.02785 -0.08638 0.06144 -0.12991
|
|
362 7PZ 0.03447 -0.06099 0.11977 -0.00778 -0.08966
|
|
363 8PX 1.45651 -0.37728 0.87074 2.63461 2.21670
|
|
364 8PY 1.62909 0.23643 1.01658 -1.23570 2.60308
|
|
365 8PZ -1.23208 1.15683 -2.67660 0.12088 1.66083
|
|
366 9PX 0.92884 -0.68951 1.16978 2.33838 1.74656
|
|
367 9PY 1.34103 0.63603 1.01306 -1.28173 1.64416
|
|
368 9PZ -1.20931 1.33998 -2.77033 -0.27844 1.33261
|
|
369 10D 0 -0.00620 -0.00072 0.02114 -0.02261 -0.05086
|
|
370 10D+1 -0.03510 -0.00661 0.00056 -0.02827 -0.01641
|
|
371 10D-1 -0.00297 0.00553 -0.02520 0.01688 -0.03554
|
|
372 10D+2 -0.00171 -0.01581 0.00545 0.03178 0.00824
|
|
373 10D-2 0.00170 -0.02601 -0.00603 0.00516 0.01974
|
|
374 11D 0 -0.00872 0.00024 -0.20903 0.17388 0.42563
|
|
375 11D+1 0.28534 0.04319 0.06798 0.24295 0.14743
|
|
376 11D-1 0.06187 -0.04875 0.21054 -0.16925 0.29126
|
|
377 11D+2 -0.01463 0.07120 -0.03572 -0.24547 -0.04333
|
|
378 11D-2 -0.05656 0.15727 0.01098 -0.04693 -0.23135
|
|
379 12D 0 0.25449 0.67680 -0.98462 0.35325 2.39361
|
|
380 12D+1 0.45335 -0.52512 0.66031 1.71027 0.45104
|
|
381 12D-1 0.82686 0.11999 0.32847 -1.10187 0.94105
|
|
382 12D+2 0.05817 0.35353 0.16166 -1.47182 -0.01678
|
|
383 12D-2 -0.46974 -0.32411 -0.15312 -0.25660 -1.50384
|
|
384 13F 0 -0.02695 -0.01580 -0.00442 -0.00365 -0.01062
|
|
385 13F+1 0.00609 -0.01870 -0.00193 -0.00004 -0.00025
|
|
386 13F-1 -0.00851 0.01094 0.01881 0.01242 0.00179
|
|
387 13F+2 0.02484 -0.03994 -0.03477 0.00537 -0.01067
|
|
388 13F-2 -0.03319 -0.00402 -0.01766 0.03074 -0.00016
|
|
389 13F+3 0.05991 -0.01453 -0.02186 -0.01284 -0.02723
|
|
390 13F-3 0.01344 -0.00296 -0.01858 0.02366 -0.02247
|
|
391 14F 0 0.35690 0.20304 -0.14969 0.21119 0.85072
|
|
392 14F+1 0.09230 0.10524 0.24958 0.32545 -0.25083
|
|
393 14F-1 0.14444 -0.13603 0.05418 -0.51303 -0.00737
|
|
394 14F+2 -0.23577 0.40214 0.28905 -0.60817 0.15372
|
|
395 14F-2 0.04825 0.03372 0.04306 -0.28002 -0.54330
|
|
396 14F+3 -0.52793 0.06730 0.15704 0.24981 0.01947
|
|
397 14F-3 -0.03072 -0.00795 0.15937 -0.03679 0.43934
|
|
398 15G 0 0.00950 0.00506 -0.00511 0.00895 0.03181
|
|
399 15G+1 -0.00175 -0.00445 0.01453 0.01339 -0.03488
|
|
400 15G-1 -0.00112 -0.00790 0.00920 -0.01909 -0.01825
|
|
401 15G+2 -0.00040 0.00716 -0.00120 -0.04008 0.01084
|
|
402 15G-2 -0.01122 -0.00156 -0.01028 0.00079 -0.01531
|
|
403 15G+3 -0.00751 -0.00923 -0.00066 0.01914 -0.01752
|
|
404 15G-3 0.00537 -0.00341 0.00153 0.01747 0.01900
|
|
405 15G+4 0.00161 0.00043 -0.00012 0.00001 0.00908
|
|
406 15G-4 0.00201 0.00321 0.00031 -0.00683 -0.00384
|
|
166 167 168 169 170
|
|
V V V V V
|
|
Eigenvalues -- 4.47147 4.49571 4.51819 4.61677 4.65457
|
|
1 1 C 1S -0.06481 0.00000 -0.01250 -0.03290 0.00000
|
|
2 2S -0.01363 0.00000 -0.00486 -0.04877 0.00000
|
|
3 3S -1.10296 0.00000 -0.22844 -0.87067 0.00000
|
|
4 4S 1.73549 0.00000 0.42123 1.82170 0.00000
|
|
5 5S 23.24333 0.00000 3.80346 13.59059 0.00000
|
|
6 6S 7.61726 0.00000 1.82130 2.34209 0.00000
|
|
7 7PX -0.00325 0.00000 0.03377 -0.00376 0.00000
|
|
8 7PY -0.00221 0.00000 0.00345 -0.00172 0.00000
|
|
9 7PZ 0.00000 0.01642 0.00000 0.00000 0.04061
|
|
10 8PX -0.15735 0.00000 -0.81331 0.33552 0.00000
|
|
11 8PY 0.89421 0.00000 0.12843 -1.35744 0.00000
|
|
12 8PZ 0.00000 -0.56055 0.00000 0.00000 -0.11985
|
|
13 9PX 0.59163 0.00000 10.74512 -3.11592 0.00000
|
|
14 9PY 0.04064 0.00000 0.33551 12.05790 0.00000
|
|
15 9PZ 0.00000 5.22310 0.00000 0.00000 5.00463
|
|
16 10PX 0.21064 0.00000 2.64314 0.50043 0.00000
|
|
17 10PY -1.38218 0.00000 -1.00383 1.00664 0.00000
|
|
18 10PZ 0.00000 0.43170 0.00000 0.00000 2.30588
|
|
19 11PX 0.28432 0.00000 1.00044 -0.49233 0.00000
|
|
20 11PY -0.35582 0.00000 -0.17073 0.46940 0.00000
|
|
21 11PZ 0.00000 0.42480 0.00000 0.00000 0.71742
|
|
22 12D 0 -0.01364 0.00000 -0.03095 -0.01695 0.00000
|
|
23 12D+1 0.00000 -0.00101 0.00000 0.00000 -0.03283
|
|
24 12D-1 0.00000 -0.00754 0.00000 0.00000 -0.03368
|
|
25 12D+2 -0.02543 0.00000 0.01846 -0.02880 0.00000
|
|
26 12D-2 -0.00575 0.00000 -0.00039 -0.00198 0.00000
|
|
27 13D 0 -0.05233 0.00000 0.52725 0.36958 0.00000
|
|
28 13D+1 0.00000 0.23269 0.00000 0.00000 0.47867
|
|
29 13D-1 0.00000 -0.03038 0.00000 0.00000 0.46470
|
|
30 13D+2 -0.04544 0.00000 -0.43391 0.73803 0.00000
|
|
31 13D-2 -0.04026 0.00000 -0.34525 0.18768 0.00000
|
|
32 14D 0 2.28031 0.00000 -1.90559 -0.62905 0.00000
|
|
33 14D+1 0.00000 -2.39631 0.00000 0.00000 0.07123
|
|
34 14D-1 0.00000 2.30408 0.00000 0.00000 -1.74041
|
|
35 14D+2 4.13580 0.00000 2.49969 -3.10264 0.00000
|
|
36 14D-2 1.56844 0.00000 5.61632 -1.71949 0.00000
|
|
37 15D 0 -0.17453 0.00000 -1.48891 -0.08108 0.00000
|
|
38 15D+1 0.00000 -0.79192 0.00000 0.00000 0.62312
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298 2S 0.94464 0.16059 0.39680 0.79781 1.17497
|
|
299 3S -6.22218 -1.46831 -3.53577 -4.94931 -2.34751
|
|
300 4S -5.42977 -1.14603 -3.79256 -1.63952 -3.56017
|
|
301 5S -0.31930 -0.27837 -0.33133 -0.03170 -0.35249
|
|
302 6PX 0.00193 0.00699 0.00883 0.01604 0.00838
|
|
303 6PY 0.00557 0.00612 0.00462 0.00767 0.02311
|
|
304 6PZ 0.00978 0.00528 0.00496 0.02054 0.02938
|
|
305 7PX -0.04589 -0.07997 -0.02096 -0.17526 -0.09457
|
|
306 7PY -0.12075 -0.01998 -0.03948 -0.02089 -0.21226
|
|
307 7PZ -0.15042 -0.04915 -0.11749 -0.20694 -0.24625
|
|
308 8PX 0.79736 1.22208 -1.34462 2.36930 0.59493
|
|
309 8PY 2.39116 0.08158 0.68714 -1.33329 1.84877
|
|
310 8PZ 2.43857 0.54624 2.97819 2.16127 0.55323
|
|
311 9PX 0.82669 0.90219 -1.35347 1.61572 0.95818
|
|
312 9PY 2.05594 0.24775 0.48670 -1.17164 1.79642
|
|
313 9PZ 2.29108 0.44903 3.21870 1.18811 1.26601
|
|
314 10D 0 0.01387 0.00527 0.05327 0.01027 -0.00314
|
|
315 10D+1 0.01345 0.01251 -0.02154 0.03238 -0.00750
|
|
316 10D-1 0.02759 -0.00893 0.02071 -0.02122 0.00075
|
|
317 10D+2 -0.00555 0.02620 -0.01288 0.01384 0.01465
|
|
318 10D-2 0.01998 -0.00133 -0.01896 -0.01473 0.01257
|
|
319 11D 0 -0.11544 -0.02425 -0.41484 -0.05457 0.11090
|
|
320 11D+1 -0.10377 -0.11127 0.15684 -0.22068 0.12750
|
|
321 11D-1 -0.29840 0.10449 -0.15451 0.21005 0.06923
|
|
322 11D+2 0.08541 -0.18876 0.11475 -0.13338 -0.08739
|
|
323 11D-2 -0.17227 0.01359 0.15357 0.11000 -0.03464
|
|
324 12D 0 -0.35132 0.12914 -2.17592 -0.86004 0.32945
|
|
325 12D+1 -0.14918 -0.72042 0.59198 -1.65700 -0.52757
|
|
326 12D-1 -1.48059 0.03084 -0.87033 1.04185 -1.30162
|
|
327 12D+2 0.28243 -0.22542 0.73966 -1.25019 0.66072
|
|
328 12D-2 -0.67987 -0.31412 0.55838 0.20743 -0.86625
|
|
329 13F 0 -0.02053 0.00533 -0.01052 -0.00985 0.01156
|
|
330 13F+1 0.01364 -0.00215 0.00765 -0.00724 0.00754
|
|
331 13F-1 0.01538 0.01098 -0.01734 0.01229 0.01209
|
|
332 13F+2 -0.03412 0.01177 -0.00064 -0.01429 0.01355
|
|
333 13F-2 -0.01906 0.00259 0.00788 -0.00418 0.00895
|
|
334 13F+3 -0.01756 -0.00872 0.00050 -0.02436 0.02055
|
|
335 13F-3 0.01431 0.00637 0.02263 0.01286 0.00256
|
|
336 14F 0 0.10346 -0.10919 0.63615 0.24036 -0.33382
|
|
337 14F+1 -0.05221 0.19527 0.04895 0.52428 -0.09252
|
|
338 14F-1 0.26171 -0.23703 0.48803 -0.28271 0.01234
|
|
339 14F+2 0.06704 0.07842 -0.25919 0.62117 -0.28574
|
|
340 14F-2 0.46269 0.00879 -0.24106 0.00373 0.15658
|
|
341 14F+3 0.02513 0.08402 -0.00819 0.38051 -0.32210
|
|
342 14F-3 -0.09240 -0.01931 -0.38893 -0.02014 -0.00842
|
|
343 15G 0 0.00967 0.00702 -0.02309 -0.00334 0.01836
|
|
344 15G+1 0.00192 -0.00700 -0.02200 -0.02724 0.00634
|
|
345 15G-1 -0.01069 0.00961 -0.02519 0.00038 0.00100
|
|
346 15G+2 0.01154 -0.00942 0.01441 -0.03474 0.01170
|
|
347 15G-2 -0.01945 -0.00125 -0.00014 -0.00518 -0.01454
|
|
348 15G+3 0.01065 0.00003 0.00310 -0.01816 0.02093
|
|
349 15G-3 -0.00253 -0.00240 0.01602 -0.01146 -0.00562
|
|
350 15G+4 0.00113 0.00058 -0.00352 -0.00244 0.00731
|
|
351 15G-4 0.00376 0.00048 0.00374 -0.00569 0.00339
|
|
352 6 H 1S -0.02055 0.00922 -0.01160 -0.02600 0.03858
|
|
353 2S 0.94464 -0.16059 0.39680 0.79781 -1.17497
|
|
354 3S -6.22218 1.46831 -3.53577 -4.94931 2.34751
|
|
355 4S -5.42977 1.14603 -3.79256 -1.63952 3.56017
|
|
356 5S -0.31930 0.27837 -0.33133 -0.03170 0.35249
|
|
357 6PX 0.00193 -0.00699 0.00883 0.01604 -0.00838
|
|
358 6PY 0.00557 -0.00612 0.00462 0.00767 -0.02311
|
|
359 6PZ -0.00978 0.00528 -0.00496 -0.02054 0.02938
|
|
360 7PX -0.04589 0.07997 -0.02096 -0.17526 0.09457
|
|
361 7PY -0.12075 0.01998 -0.03948 -0.02089 0.21226
|
|
362 7PZ 0.15042 -0.04915 0.11749 0.20694 -0.24625
|
|
363 8PX 0.79736 -1.22208 -1.34462 2.36930 -0.59493
|
|
364 8PY 2.39116 -0.08158 0.68714 -1.33329 -1.84877
|
|
365 8PZ -2.43857 0.54624 -2.97819 -2.16127 0.55323
|
|
366 9PX 0.82669 -0.90219 -1.35347 1.61572 -0.95818
|
|
367 9PY 2.05594 -0.24775 0.48670 -1.17164 -1.79642
|
|
368 9PZ -2.29108 0.44903 -3.21870 -1.18811 1.26601
|
|
369 10D 0 0.01387 -0.00527 0.05327 0.01027 0.00314
|
|
370 10D+1 -0.01345 0.01251 0.02154 -0.03238 -0.00750
|
|
371 10D-1 -0.02759 -0.00893 -0.02071 0.02122 0.00075
|
|
372 10D+2 -0.00555 -0.02620 -0.01288 0.01384 -0.01465
|
|
373 10D-2 0.01998 0.00133 -0.01896 -0.01473 -0.01257
|
|
374 11D 0 -0.11544 0.02425 -0.41484 -0.05457 -0.11090
|
|
375 11D+1 0.10377 -0.11127 -0.15684 0.22068 0.12750
|
|
376 11D-1 0.29840 0.10449 0.15451 -0.21005 0.06923
|
|
377 11D+2 0.08541 0.18876 0.11475 -0.13338 0.08739
|
|
378 11D-2 -0.17227 -0.01359 0.15357 0.11000 0.03464
|
|
379 12D 0 -0.35132 -0.12914 -2.17592 -0.86004 -0.32945
|
|
380 12D+1 0.14918 -0.72042 -0.59198 1.65700 -0.52757
|
|
381 12D-1 1.48059 0.03084 0.87033 -1.04185 -1.30162
|
|
382 12D+2 0.28243 0.22542 0.73966 -1.25019 -0.66072
|
|
383 12D-2 -0.67987 0.31412 0.55838 0.20743 0.86625
|
|
384 13F 0 0.02053 0.00533 0.01052 0.00985 0.01156
|
|
385 13F+1 0.01364 0.00215 0.00765 -0.00724 -0.00754
|
|
386 13F-1 0.01538 -0.01098 -0.01734 0.01229 -0.01209
|
|
387 13F+2 0.03412 0.01177 0.00064 0.01429 0.01355
|
|
388 13F-2 0.01906 0.00259 -0.00788 0.00418 0.00895
|
|
389 13F+3 -0.01756 0.00872 0.00050 -0.02436 -0.02055
|
|
390 13F-3 0.01431 -0.00637 0.02263 0.01286 -0.00256
|
|
391 14F 0 -0.10346 -0.10919 -0.63615 -0.24036 -0.33382
|
|
392 14F+1 -0.05221 -0.19527 0.04895 0.52428 0.09252
|
|
393 14F-1 0.26171 0.23703 0.48803 -0.28271 -0.01234
|
|
394 14F+2 -0.06704 0.07842 0.25919 -0.62117 -0.28574
|
|
395 14F-2 -0.46269 0.00879 0.24106 -0.00373 0.15658
|
|
396 14F+3 0.02513 -0.08402 -0.00819 0.38051 0.32210
|
|
397 14F-3 -0.09240 0.01931 -0.38893 -0.02014 0.00842
|
|
398 15G 0 0.00967 -0.00702 -0.02309 -0.00334 -0.01836
|
|
399 15G+1 -0.00192 -0.00700 0.02200 0.02724 0.00634
|
|
400 15G-1 0.01069 0.00961 0.02519 -0.00038 0.00100
|
|
401 15G+2 0.01154 0.00942 0.01441 -0.03474 -0.01170
|
|
402 15G-2 -0.01945 0.00125 -0.00014 -0.00518 0.01454
|
|
403 15G+3 -0.01065 0.00003 -0.00310 0.01816 0.02093
|
|
404 15G-3 0.00253 -0.00240 -0.01602 0.01146 -0.00562
|
|
405 15G+4 0.00113 -0.00058 -0.00352 -0.00244 -0.00731
|
|
406 15G-4 0.00376 -0.00048 0.00374 -0.00569 -0.00339
|
|
171 172 173 174 175
|
|
V V V V V
|
|
Eigenvalues -- 4.66777 4.71278 4.71304 4.74671 4.75649
|
|
1 1 C 1S -0.00861 0.00000 0.00683 0.00000 -0.02607
|
|
2 2S -0.05489 0.00000 0.01865 0.00000 -0.04585
|
|
3 3S -0.46563 0.00000 0.21335 0.00000 -0.69539
|
|
4 4S 1.72197 0.00000 -0.70602 0.00000 1.01236
|
|
5 5S 0.49957 0.00000 0.35280 0.00000 11.56691
|
|
6 6S -1.90180 0.00000 3.88895 0.00000 1.24190
|
|
7 7PX 0.04782 0.00000 0.01529 0.00000 -0.03181
|
|
8 7PY -0.01322 0.00000 0.05434 0.00000 -0.02130
|
|
9 7PZ 0.00000 -0.04439 0.00000 -0.01986 0.00000
|
|
10 8PX 0.15955 0.00000 -0.46969 0.00000 -1.28500
|
|
11 8PY -0.43139 0.00000 0.44038 0.00000 -0.50074
|
|
12 8PZ 0.00000 -0.50514 0.00000 -1.31891 0.00000
|
|
13 9PX 3.51368 0.00000 5.37466 0.00000 3.00929
|
|
14 9PY 3.14237 0.00000 -0.78832 0.00000 4.35793
|
|
15 9PZ 0.00000 -4.98963 0.00000 9.90956 0.00000
|
|
16 10PX -0.05016 0.00000 1.55723 0.00000 1.20348
|
|
17 10PY 4.86125 0.00000 -4.08970 0.00000 3.00978
|
|
18 10PZ 0.00000 -0.85005 0.00000 5.25743 0.00000
|
|
19 11PX 0.55296 0.00000 0.55800 0.00000 0.03141
|
|
20 11PY 0.15684 0.00000 -0.10946 0.00000 0.09208
|
|
21 11PZ 0.00000 -0.63848 0.00000 0.51212 0.00000
|
|
22 12D 0 -0.01654 0.00000 -0.02855 0.00000 0.03386
|
|
23 12D+1 0.00000 0.05285 0.00000 -0.00402 0.00000
|
|
24 12D-1 0.00000 0.04452 0.00000 -0.00458 0.00000
|
|
25 12D+2 0.04285 0.00000 -0.01186 0.00000 -0.02349
|
|
26 12D-2 -0.01932 0.00000 -0.01786 0.00000 0.02069
|
|
27 13D 0 0.27817 0.00000 0.45140 0.00000 -0.21553
|
|
28 13D+1 0.00000 -0.52544 0.00000 0.20455 0.00000
|
|
29 13D-1 0.00000 -0.32220 0.00000 0.07740 0.00000
|
|
30 13D+2 -0.53325 0.00000 0.14274 0.00000 0.06521
|
|
31 13D-2 0.18286 0.00000 0.19965 0.00000 -0.16403
|
|
32 14D 0 0.05855 0.00000 -0.18873 0.00000 -1.84163
|
|
33 14D+1 0.00000 -1.78721 0.00000 -0.96234 0.00000
|
|
34 14D-1 0.00000 -2.59046 0.00000 0.62868 0.00000
|
|
35 14D+2 0.81236 0.00000 0.41533 0.00000 3.09495
|
|
36 14D-2 1.02497 0.00000 -0.37914 0.00000 -1.20234
|
|
37 15D 0 0.30687 0.00000 -0.78622 0.00000 -0.91774
|
|
38 15D+1 0.00000 -0.30132 0.00000 -0.78598 0.00000
|
|
39 15D-1 0.00000 -1.22472 0.00000 1.77566 0.00000
|
|
40 15D+2 0.76263 0.00000 -0.84930 0.00000 1.15143
|
|
41 15D-2 1.66559 0.00000 0.54799 0.00000 0.81497
|
|
42 16F 0 0.00000 -0.00735 0.00000 -0.07291 0.00000
|
|
43 16F+1 0.02189 0.00000 -0.03617 0.00000 -0.04071
|
|
44 16F-1 0.00484 0.00000 0.05863 0.00000 0.08780
|
|
45 16F+2 0.00000 -0.07284 0.00000 -0.10583 0.00000
|
|
46 16F-2 0.00000 0.04470 0.00000 0.10382 0.00000
|
|
47 16F+3 0.00768 0.00000 -0.04840 0.00000 -0.08683
|
|
48 16F-3 0.00327 0.00000 -0.01928 0.00000 -0.10387
|
|
49 17F 0 0.00000 -0.10304 0.00000 0.91512 0.00000
|
|
50 17F+1 0.03384 0.00000 0.31703 0.00000 0.93682
|
|
51 17F-1 0.26922 0.00000 -0.67978 0.00000 -0.96737
|
|
52 17F+2 0.00000 0.83065 0.00000 1.20746 0.00000
|
|
53 17F-2 0.00000 -0.90185 0.00000 -1.08373 0.00000
|
|
54 17F+3 -0.09604 0.00000 0.68199 0.00000 0.70075
|
|
55 17F-3 0.09553 0.00000 0.11804 0.00000 1.56311
|
|
56 18F 0 0.00000 -0.30511 0.00000 0.92229 0.00000
|
|
57 18F+1 0.19780 0.00000 0.05278 0.00000 1.39286
|
|
58 18F-1 0.12585 0.00000 -0.12314 0.00000 -0.56936
|
|
59 18F+2 0.00000 -0.22120 0.00000 1.48491 0.00000
|
|
60 18F-2 0.00000 -0.56866 0.00000 -0.96566 0.00000
|
|
61 18F+3 0.39948 0.00000 0.94349 0.00000 0.70695
|
|
62 18F-3 0.28943 0.00000 0.94115 0.00000 1.35632
|
|
63 19G 0 -0.02113 0.00000 -0.05557 0.00000 0.00722
|
|
64 19G+1 0.00000 -0.02581 0.00000 0.01064 0.00000
|
|
65 19G-1 0.00000 -0.09367 0.00000 0.00926 0.00000
|
|
66 19G+2 0.04820 0.00000 -0.03252 0.00000 0.00229
|
|
67 19G-2 0.04598 0.00000 0.01403 0.00000 0.01131
|
|
68 19G+3 0.00000 0.01086 0.00000 -0.02259 0.00000
|
|
69 19G-3 0.00000 -0.02615 0.00000 -0.02350 0.00000
|
|
70 19G+4 0.00341 0.00000 -0.08387 0.00000 0.05320
|
|
71 19G-4 0.06415 0.00000 0.01863 0.00000 -0.03755
|
|
72 20G 0 -0.25051 0.00000 0.31229 0.00000 -0.44464
|
|
73 20G+1 0.00000 0.44500 0.00000 1.26564 0.00000
|
|
74 20G-1 0.00000 0.74849 0.00000 0.21042 0.00000
|
|
75 20G+2 -0.60731 0.00000 1.16728 0.00000 0.91802
|
|
76 20G-2 -0.17882 0.00000 -0.31409 0.00000 0.59645
|
|
77 20G+3 0.00000 0.42538 0.00000 0.48399 0.00000
|
|
78 20G-3 0.00000 0.49033 0.00000 0.59706 0.00000
|
|
79 20G+4 -0.08111 0.00000 0.77028 0.00000 -1.27959
|
|
80 20G-4 -0.82049 0.00000 -0.11387 0.00000 0.04189
|
|
81 21H 0 0.00000 -0.03026 0.00000 0.07937 0.00000
|
|
82 21H+1 -0.06011 0.00000 -0.01975 0.00000 -0.03187
|
|
83 21H-1 -0.01955 0.00000 -0.03636 0.00000 -0.02359
|
|
84 21H+2 0.00000 0.01574 0.00000 -0.01373 0.00000
|
|
85 21H-2 0.00000 0.04292 0.00000 0.05809 0.00000
|
|
86 21H+3 0.01911 0.00000 0.06525 0.00000 0.00662
|
|
87 21H-3 -0.01988 0.00000 0.00099 0.00000 0.06374
|
|
88 21H+4 0.00000 0.03477 0.00000 -0.00055 0.00000
|
|
89 21H-4 0.00000 0.05865 0.00000 -0.03078 0.00000
|
|
90 21H+5 -0.01756 0.00000 0.00974 0.00000 0.04933
|
|
91 21H-5 0.05966 0.00000 0.02596 0.00000 0.00014
|
|
92 2 S 1S 0.00504 0.00000 -0.00729 0.00000 0.01070
|
|
93 2S -0.01672 0.00000 0.00650 0.00000 -0.01459
|
|
94 3S 0.01187 0.00000 -0.09230 0.00000 0.08654
|
|
95 4S -0.16983 0.00000 -0.30698 0.00000 0.07174
|
|
96 5S -0.88533 0.00000 0.35612 0.00000 -1.40160
|
|
97 6S 4.20199 0.00000 0.30757 0.00000 4.56785
|
|
98 7S 2.54622 0.00000 -0.07622 0.00000 1.54164
|
|
99 8PX -0.00280 0.00000 -0.00373 0.00000 0.00001
|
|
100 8PY -0.02880 0.00000 0.02263 0.00000 -0.00842
|
|
101 8PZ 0.00000 0.00822 0.00000 -0.00851 0.00000
|
|
102 9PX -0.05561 0.00000 -0.06324 0.00000 -0.05070
|
|
103 9PY 0.15520 0.00000 0.02811 0.00000 0.00644
|
|
104 9PZ 0.00000 -0.08098 0.00000 0.10346 0.00000
|
|
105 10PX -0.52901 0.00000 -0.62200 0.00000 -0.44948
|
|
106 10PY 0.78273 0.00000 0.43549 0.00000 -0.00026
|
|
107 10PZ 0.00000 -0.47875 0.00000 0.58465 0.00000
|
|
108 11PX 2.01210 0.00000 2.25839 0.00000 1.38225
|
|
109 11PY -1.93304 0.00000 -1.84134 0.00000 -0.17867
|
|
110 11PZ 0.00000 1.10258 0.00000 -1.17058 0.00000
|
|
111 12PX 0.73681 0.00000 2.37603 0.00000 2.69404
|
|
112 12PY 4.26942 0.00000 -0.98884 0.00000 0.47780
|
|
113 12PZ 0.00000 -0.63237 0.00000 0.78775 0.00000
|
|
114 13PX 0.20130 0.00000 0.24325 0.00000 0.24042
|
|
115 13PY 0.25004 0.00000 -0.19726 0.00000 0.08663
|
|
116 13PZ 0.00000 0.12390 0.00000 -0.10794 0.00000
|
|
117 14D 0 -0.64282 0.00000 -0.30059 0.00000 -0.52888
|
|
118 14D+1 0.00000 0.30412 0.00000 -0.01146 0.00000
|
|
119 14D-1 0.00000 -0.78288 0.00000 0.84014 0.00000
|
|
120 14D+2 -2.01783 0.00000 0.25327 0.00000 0.25299
|
|
121 14D-2 1.14130 0.00000 0.66514 0.00000 0.00792
|
|
122 15D 0 -0.93109 0.00000 -0.30196 0.00000 -0.78261
|
|
123 15D+1 0.00000 1.39469 0.00000 -1.09547 0.00000
|
|
124 15D-1 0.00000 -0.83396 0.00000 0.37558 0.00000
|
|
125 15D+2 0.07385 0.00000 2.07943 0.00000 0.58779
|
|
126 15D-2 -0.78593 0.00000 0.18008 0.00000 -0.73766
|
|
127 16D 0 0.14781 0.00000 0.03995 0.00000 0.10420
|
|
128 16D+1 0.00000 -0.38618 0.00000 0.30183 0.00000
|
|
129 16D-1 0.00000 0.34704 0.00000 -0.17161 0.00000
|
|
130 16D+2 0.31464 0.00000 -0.11470 0.00000 -0.01268
|
|
131 16D-2 0.06475 0.00000 -0.14438 0.00000 0.18223
|
|
132 17D 0 -0.01892 0.00000 0.03027 0.00000 -0.01452
|
|
133 17D+1 0.00000 0.02367 0.00000 -0.01260 0.00000
|
|
134 17D-1 0.00000 -0.00511 0.00000 -0.01827 0.00000
|
|
135 17D+2 0.00330 0.00000 0.08022 0.00000 -0.00948
|
|
136 17D-2 -0.01086 0.00000 -0.00211 0.00000 -0.00147
|
|
137 18F 0 0.00000 0.15943 0.00000 -0.32886 0.00000
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|
387 13F+2 -0.00101 -0.00276 0.00527 -0.01636 -0.00234
|
|
388 13F-2 -0.00165 0.00449 -0.03942 -0.01063 0.02385
|
|
389 13F+3 -0.01837 0.01937 -0.00139 0.01516 -0.00878
|
|
390 13F-3 0.02755 -0.01597 -0.01212 0.01310 0.01852
|
|
391 14F 0 -0.16967 -0.13789 -0.05633 -0.40941 -0.55380
|
|
392 14F+1 0.14964 0.55987 -0.12255 0.30816 -0.23571
|
|
393 14F-1 0.18460 -0.34731 0.27076 -0.11818 0.28414
|
|
394 14F+2 -0.06217 -0.15919 0.26815 0.01096 0.39636
|
|
395 14F-2 0.04295 -0.11803 0.30045 0.44724 -0.21333
|
|
396 14F+3 0.22065 -0.16965 -0.08621 0.01782 -0.04575
|
|
397 14F-3 -0.26994 0.18110 0.00929 -0.22197 -0.26439
|
|
398 15G 0 -0.00119 -0.00475 -0.00022 -0.02167 -0.02053
|
|
399 15G+1 0.01143 0.02466 0.00352 0.02440 0.00412
|
|
400 15G-1 0.01234 -0.00700 0.01158 0.00462 0.01538
|
|
401 15G+2 -0.00127 -0.02304 0.01961 -0.01114 0.02803
|
|
402 15G-2 -0.00286 -0.00705 -0.00473 0.01780 -0.00381
|
|
403 15G+3 0.00425 -0.00322 -0.00865 0.01438 -0.01758
|
|
404 15G-3 -0.00347 0.01152 -0.01107 -0.01337 -0.00949
|
|
405 15G+4 -0.00334 0.00547 0.00081 -0.00838 0.00315
|
|
406 15G-4 -0.00296 -0.00002 0.00307 -0.00136 0.00505
|
|
176 177 178 179 180
|
|
V V V V V
|
|
Eigenvalues -- 4.78530 4.79986 4.80672 4.85574 4.88373
|
|
1 1 C 1S 0.00000 -0.01960 0.00000 0.00000 -0.00517
|
|
2 2S 0.00000 -0.04478 0.00000 0.00000 -0.04601
|
|
3 3S 0.00000 -0.60117 0.00000 0.00000 -0.37598
|
|
4 4S 0.00000 0.72652 0.00000 0.00000 1.25954
|
|
5 5S 0.00000 11.07613 0.00000 0.00000 2.46953
|
|
6 6S 0.00000 2.63612 0.00000 0.00000 2.00087
|
|
7 7PX 0.00000 -0.01198 0.00000 0.00000 -0.01706
|
|
8 7PY 0.00000 0.00442 0.00000 0.00000 0.03551
|
|
9 7PZ 0.00021 0.00000 -0.01137 -0.00250 0.00000
|
|
10 8PX 0.00000 0.26681 0.00000 0.00000 -0.50882
|
|
11 8PY 0.00000 -0.22195 0.00000 0.00000 0.01347
|
|
12 8PZ -0.17214 0.00000 -0.11654 -0.31870 0.00000
|
|
13 9PX 0.00000 -3.03596 0.00000 0.00000 5.71135
|
|
14 9PY 0.00000 3.61067 0.00000 0.00000 1.91887
|
|
15 9PZ 4.92828 0.00000 4.12220 12.54111 0.00000
|
|
16 10PX 0.00000 -2.55165 0.00000 0.00000 3.48278
|
|
17 10PY 0.00000 0.54478 0.00000 0.00000 0.32638
|
|
18 10PZ 2.46965 0.00000 0.72637 6.56859 0.00000
|
|
19 11PX 0.00000 -0.59593 0.00000 0.00000 -0.14501
|
|
20 11PY 0.00000 0.03400 0.00000 0.00000 0.03750
|
|
21 11PZ 0.13845 0.00000 -0.36667 0.43390 0.00000
|
|
22 12D 0 0.00000 -0.00285 0.00000 0.00000 -0.00986
|
|
23 12D+1 -0.02142 0.00000 -0.00891 -0.05856 0.00000
|
|
24 12D-1 -0.01617 0.00000 -0.01299 -0.03951 0.00000
|
|
25 12D+2 0.00000 -0.01977 0.00000 0.00000 0.00842
|
|
26 12D-2 0.00000 0.00378 0.00000 0.00000 0.00364
|
|
27 13D 0 0.00000 -0.13174 0.00000 0.00000 0.00299
|
|
28 13D+1 0.15993 0.00000 -0.07971 0.50628 0.00000
|
|
29 13D-1 0.07822 0.00000 -0.13333 0.26034 0.00000
|
|
30 13D+2 0.00000 0.33648 0.00000 0.00000 0.04820
|
|
31 13D-2 0.00000 -0.30324 0.00000 0.00000 -0.19629
|
|
32 14D 0 0.00000 2.04302 0.00000 0.00000 2.14873
|
|
33 14D+1 1.78403 0.00000 3.16490 3.80907 0.00000
|
|
34 14D-1 1.54217 0.00000 1.32244 4.35897 0.00000
|
|
35 14D+2 0.00000 0.24510 0.00000 0.00000 -0.58251
|
|
36 14D-2 0.00000 0.51782 0.00000 0.00000 4.32631
|
|
37 15D 0 0.00000 0.97232 0.00000 0.00000 -0.04115
|
|
38 15D+1 0.65522 0.00000 1.60110 1.22218 0.00000
|
|
39 15D-1 0.33341 0.00000 -0.66356 1.72525 0.00000
|
|
40 15D+2 0.00000 -0.25913 0.00000 0.00000 -0.43576
|
|
41 15D-2 0.00000 -0.93362 0.00000 0.00000 3.48179
|
|
42 16F 0 0.16420 0.00000 -0.03558 -0.00251 0.00000
|
|
43 16F+1 0.00000 0.01766 0.00000 0.00000 0.01913
|
|
44 16F-1 0.00000 -0.04556 0.00000 0.00000 -0.01053
|
|
45 16F+2 -0.13508 0.00000 -0.00145 -0.00339 0.00000
|
|
46 16F-2 -0.02610 0.00000 -0.01675 -0.00967 0.00000
|
|
47 16F+3 0.00000 0.04682 0.00000 0.00000 0.04074
|
|
48 16F-3 0.00000 0.03074 0.00000 0.00000 0.02899
|
|
49 17F 0 -1.96252 0.00000 0.50943 0.03983 0.00000
|
|
50 17F+1 0.00000 0.25566 0.00000 0.00000 0.04942
|
|
51 17F-1 0.00000 0.79776 0.00000 0.00000 0.46103
|
|
52 17F+2 1.68562 0.00000 0.01769 0.26387 0.00000
|
|
53 17F-2 0.55252 0.00000 0.46150 0.76438 0.00000
|
|
54 17F+3 0.00000 -0.75942 0.00000 0.00000 -0.57640
|
|
55 17F-3 0.00000 -0.23746 0.00000 0.00000 -0.32128
|
|
56 18F 0 -1.47108 0.00000 1.12302 0.94348 0.00000
|
|
57 18F+1 0.00000 0.93003 0.00000 0.00000 -0.04665
|
|
58 18F-1 0.00000 1.30167 0.00000 0.00000 0.71215
|
|
59 18F+2 1.50420 0.00000 0.93632 -0.22283 0.00000
|
|
60 18F-2 0.43001 0.00000 0.46198 0.60115 0.00000
|
|
61 18F+3 0.00000 0.42065 0.00000 0.00000 0.15453
|
|
62 18F-3 0.00000 0.06371 0.00000 0.00000 0.11607
|
|
63 19G 0 0.00000 0.02687 0.00000 0.00000 -0.07443
|
|
64 19G+1 -0.00067 0.00000 -0.09045 0.03208 0.00000
|
|
65 19G-1 0.00923 0.00000 0.01907 -0.04477 0.00000
|
|
66 19G+2 0.00000 -0.07459 0.00000 0.00000 -0.00764
|
|
67 19G-2 0.00000 0.01456 0.00000 0.00000 -0.00167
|
|
68 19G+3 -0.00461 0.00000 -0.00566 -0.02939 0.00000
|
|
69 19G-3 0.01144 0.00000 0.01297 0.08054 0.00000
|
|
70 19G+4 0.00000 0.03746 0.00000 0.00000 -0.00556
|
|
71 19G-4 0.00000 0.01039 0.00000 0.00000 -0.01576
|
|
72 20G 0 0.00000 -0.49022 0.00000 0.00000 0.91544
|
|
73 20G+1 0.44614 0.00000 1.53771 0.35736 0.00000
|
|
74 20G-1 -0.81014 0.00000 -0.00010 0.98972 0.00000
|
|
75 20G+2 0.00000 0.39482 0.00000 0.00000 -0.03256
|
|
76 20G-2 0.00000 0.18924 0.00000 0.00000 0.39435
|
|
77 20G+3 -0.27441 0.00000 -0.18081 0.11954 0.00000
|
|
78 20G-3 0.97312 0.00000 -0.27422 -0.48935 0.00000
|
|
79 20G+4 0.00000 -0.09719 0.00000 0.00000 -0.05800
|
|
80 20G-4 0.00000 -0.31965 0.00000 0.00000 0.69087
|
|
81 21H 0 -0.00103 0.00000 -0.03327 -0.05540 0.00000
|
|
82 21H+1 0.00000 0.06159 0.00000 0.00000 0.00603
|
|
83 21H-1 0.00000 -0.03400 0.00000 0.00000 0.04237
|
|
84 21H+2 0.00624 0.00000 0.05166 -0.04728 0.00000
|
|
85 21H-2 0.02866 0.00000 0.06967 0.05055 0.00000
|
|
86 21H+3 0.00000 -0.05318 0.00000 0.00000 -0.03071
|
|
87 21H-3 0.00000 0.02625 0.00000 0.00000 0.05624
|
|
88 21H+4 0.00036 0.00000 0.01373 0.08318 0.00000
|
|
89 21H-4 -0.02439 0.00000 -0.07068 -0.00990 0.00000
|
|
90 21H+5 0.00000 0.00930 0.00000 0.00000 -0.04175
|
|
91 21H-5 0.00000 0.00951 0.00000 0.00000 -0.06177
|
|
92 2 S 1S 0.00000 0.00888 0.00000 0.00000 -0.00509
|
|
93 2S 0.00000 -0.01672 0.00000 0.00000 0.00257
|
|
94 3S 0.00000 0.03802 0.00000 0.00000 -0.05983
|
|
95 4S 0.00000 -0.25845 0.00000 0.00000 -0.11822
|
|
96 5S 0.00000 -0.68295 0.00000 0.00000 -0.39447
|
|
97 6S 0.00000 5.22465 0.00000 0.00000 0.96949
|
|
98 7S 0.00000 0.92404 0.00000 0.00000 0.10256
|
|
99 8PX 0.00000 0.00269 0.00000 0.00000 0.00365
|
|
100 8PY 0.00000 0.01064 0.00000 0.00000 -0.00145
|
|
101 8PZ 0.00408 0.00000 0.01262 0.00272 0.00000
|
|
102 9PX 0.00000 -0.12482 0.00000 0.00000 -0.05125
|
|
103 9PY 0.00000 -0.01603 0.00000 0.00000 0.10698
|
|
104 9PZ -0.02210 0.00000 -0.08346 0.00470 0.00000
|
|
105 10PX 0.00000 -1.06469 0.00000 0.00000 -0.40275
|
|
106 10PY 0.00000 0.04835 0.00000 0.00000 0.73816
|
|
107 10PZ -0.10441 0.00000 -0.40564 0.05986 0.00000
|
|
108 11PX 0.00000 3.63436 0.00000 0.00000 1.31982
|
|
109 11PY 0.00000 -0.80264 0.00000 0.00000 -2.20004
|
|
110 11PZ 0.14138 0.00000 0.53538 -0.21626 0.00000
|
|
111 12PX 0.00000 2.61047 0.00000 0.00000 0.67829
|
|
112 12PY 0.00000 -0.23822 0.00000 0.00000 1.21769
|
|
113 12PZ 0.06089 0.00000 0.30504 0.15993 0.00000
|
|
114 13PX 0.00000 0.25789 0.00000 0.00000 -0.00928
|
|
115 13PY 0.00000 -0.07058 0.00000 0.00000 -0.04545
|
|
116 13PZ -0.02175 0.00000 0.14633 -0.07770 0.00000
|
|
117 14D 0 0.00000 -0.75895 0.00000 0.00000 -0.45062
|
|
118 14D+1 0.05537 0.00000 -0.01974 -0.15780 0.00000
|
|
119 14D-1 0.00288 0.00000 0.39268 0.28275 0.00000
|
|
120 14D+2 0.00000 0.50181 0.00000 0.00000 -1.15782
|
|
121 14D-2 0.00000 -0.49738 0.00000 0.00000 0.70008
|
|
122 15D 0 0.00000 -0.78831 0.00000 0.00000 -0.26189
|
|
123 15D+1 0.03535 0.00000 0.22295 -0.30990 0.00000
|
|
124 15D-1 0.21883 0.00000 0.41775 0.36214 0.00000
|
|
125 15D+2 0.00000 1.59038 0.00000 0.00000 0.41491
|
|
126 15D-2 0.00000 -0.19876 0.00000 0.00000 -1.10715
|
|
127 16D 0 0.00000 -0.00747 0.00000 0.00000 0.04817
|
|
128 16D+1 -0.01486 0.00000 -0.08378 0.07246 0.00000
|
|
129 16D-1 -0.09114 0.00000 -0.18859 -0.15139 0.00000
|
|
130 16D+2 0.00000 0.03498 0.00000 0.00000 0.14987
|
|
131 16D-2 0.00000 -0.07694 0.00000 0.00000 0.22214
|
|
132 17D 0 0.00000 -0.01161 0.00000 0.00000 0.01335
|
|
133 17D+1 -0.00558 0.00000 0.00004 -0.00455 0.00000
|
|
134 17D-1 -0.00253 0.00000 -0.00828 -0.01170 0.00000
|
|
135 17D+2 0.00000 0.03437 0.00000 0.00000 0.03386
|
|
136 17D-2 0.00000 -0.00957 0.00000 0.00000 -0.03097
|
|
137 18F 0 -0.06153 0.00000 -0.24455 -0.11096 0.00000
|
|
138 18F+1 0.00000 -0.08704 0.00000 0.00000 0.03411
|
|
139 18F-1 0.00000 -0.13289 0.00000 0.00000 -0.54570
|
|
140 18F+2 0.11036 0.00000 -0.30866 -0.05012 0.00000
|
|
141 18F-2 0.01042 0.00000 -0.06418 0.00834 0.00000
|
|
142 18F+3 0.00000 0.09758 0.00000 0.00000 -0.69257
|
|
143 18F-3 0.00000 -0.58857 0.00000 0.00000 -0.25808
|
|
144 19F 0 -0.01248 0.00000 -0.25504 0.20604 0.00000
|
|
145 19F+1 0.00000 -0.62192 0.00000 0.00000 -0.28608
|
|
146 19F-1 0.00000 0.11090 0.00000 0.00000 0.66369
|
|
147 19F+2 -0.12325 0.00000 -0.04250 -0.24777 0.00000
|
|
148 19F-2 0.09009 0.00000 -0.10237 0.36534 0.00000
|
|
149 19F+3 0.00000 0.53503 0.00000 0.00000 0.10131
|
|
150 19F-3 0.00000 -0.35661 0.00000 0.00000 -0.96283
|
|
151 20F 0 -0.00934 0.00000 -0.00325 -0.04028 0.00000
|
|
152 20F+1 0.00000 0.09448 0.00000 0.00000 0.05725
|
|
153 20F-1 0.00000 -0.00631 0.00000 0.00000 -0.32832
|
|
154 20F+2 0.05211 0.00000 -0.11062 -0.03496 0.00000
|
|
155 20F-2 -0.01507 0.00000 0.12929 -0.17610 0.00000
|
|
156 20F+3 0.00000 0.04953 0.00000 0.00000 0.06338
|
|
157 20F-3 0.00000 -0.15402 0.00000 0.00000 0.13441
|
|
158 21G 0 0.00000 0.03590 0.00000 0.00000 0.10526
|
|
159 21G+1 -0.00369 0.00000 -0.12618 0.09001 0.00000
|
|
160 21G-1 -0.09211 0.00000 -0.24483 -0.07626 0.00000
|
|
161 21G+2 0.00000 -0.04480 0.00000 0.00000 0.01627
|
|
162 21G-2 0.00000 -0.01348 0.00000 0.00000 0.20792
|
|
163 21G+3 0.06845 0.00000 -0.04370 -0.06577 0.00000
|
|
164 21G-3 0.08856 0.00000 -0.30843 0.10928 0.00000
|
|
165 21G+4 0.00000 0.62559 0.00000 0.00000 0.01464
|
|
166 21G-4 0.00000 -0.42618 0.00000 0.00000 -0.35148
|
|
167 22G 0 0.00000 0.05720 0.00000 0.00000 0.10909
|
|
168 22G+1 -0.01542 0.00000 0.06347 -0.01782 0.00000
|
|
169 22G-1 0.02981 0.00000 0.05888 -0.05360 0.00000
|
|
170 22G+2 0.00000 -0.04234 0.00000 0.00000 0.03918
|
|
171 22G-2 0.00000 -0.00984 0.00000 0.00000 -0.08732
|
|
172 22G+3 0.01257 0.00000 0.02063 0.07810 0.00000
|
|
173 22G-3 0.00339 0.00000 0.06103 0.09389 0.00000
|
|
174 22G+4 0.00000 0.01541 0.00000 0.00000 -0.03584
|
|
175 22G-4 0.00000 0.02629 0.00000 0.00000 -0.01755
|
|
176 23H 0 -0.09535 0.00000 -0.12644 0.05278 0.00000
|
|
177 23H+1 0.00000 0.07236 0.00000 0.00000 0.08816
|
|
178 23H-1 0.00000 0.06666 0.00000 0.00000 0.03288
|
|
179 23H+2 -0.04075 0.00000 -0.05357 0.02571 0.00000
|
|
180 23H-2 0.06330 0.00000 0.16921 0.02938 0.00000
|
|
181 23H+3 0.00000 0.01075 0.00000 0.00000 0.11665
|
|
182 23H-3 0.00000 0.01828 0.00000 0.00000 0.01716
|
|
183 23H+4 0.06994 0.00000 -0.07602 -0.09929 0.00000
|
|
184 23H-4 -0.02648 0.00000 0.05778 0.07716 0.00000
|
|
185 23H+5 0.00000 0.00258 0.00000 0.00000 -0.00305
|
|
186 23H-5 0.00000 -0.12516 0.00000 0.00000 0.00688
|
|
187 3 H 1S 0.00000 -0.02388 0.00000 0.00000 -0.01447
|
|
188 2S 0.00000 0.87024 0.00000 0.00000 0.25785
|
|
189 3S 0.00000 -3.99324 0.00000 0.00000 -1.04983
|
|
190 4S 0.00000 -3.68530 0.00000 0.00000 0.48610
|
|
191 5S 0.00000 -0.04204 0.00000 0.00000 -0.11294
|
|
192 6PX 0.00000 0.00729 0.00000 0.00000 -0.00586
|
|
193 6PY 0.00000 -0.00719 0.00000 0.00000 -0.04167
|
|
194 6PZ -0.00158 0.00000 0.01453 -0.00762 0.00000
|
|
195 7PX 0.00000 -0.08605 0.00000 0.00000 0.03388
|
|
196 7PY 0.00000 0.04913 0.00000 0.00000 0.27750
|
|
197 7PZ 0.00842 0.00000 -0.09739 0.04814 0.00000
|
|
198 8PX 0.00000 2.19124 0.00000 0.00000 0.88248
|
|
199 8PY 0.00000 -0.11689 0.00000 0.00000 0.23974
|
|
200 8PZ -0.05599 0.00000 -0.00973 0.17420 0.00000
|
|
201 9PX 0.00000 2.70009 0.00000 0.00000 0.39315
|
|
202 9PY 0.00000 0.05171 0.00000 0.00000 0.82965
|
|
203 9PZ -0.07243 0.00000 -0.19214 0.33041 0.00000
|
|
204 10D 0 0.00000 0.01578 0.00000 0.00000 0.04065
|
|
205 10D+1 0.01125 0.00000 -0.00927 -0.00620 0.00000
|
|
206 10D-1 -0.02264 0.00000 0.03353 -0.09606 0.00000
|
|
207 10D+2 0.00000 0.02544 0.00000 0.00000 0.03135
|
|
208 10D-2 0.00000 -0.00043 0.00000 0.00000 -0.00728
|
|
209 11D 0 0.00000 -0.11596 0.00000 0.00000 -0.25532
|
|
210 11D+1 -0.07554 0.00000 0.06390 0.04674 0.00000
|
|
211 11D-1 0.13264 0.00000 -0.20552 0.57155 0.00000
|
|
212 11D+2 0.00000 -0.11091 0.00000 0.00000 -0.17143
|
|
213 11D-2 0.00000 -0.00385 0.00000 0.00000 0.06520
|
|
214 12D 0 0.00000 0.71181 0.00000 0.00000 0.52103
|
|
215 12D+1 0.06768 0.00000 0.14614 -0.44026 0.00000
|
|
216 12D-1 -0.19291 0.00000 0.16074 -0.41084 0.00000
|
|
217 12D+2 0.00000 -1.52721 0.00000 0.00000 -0.67786
|
|
218 12D-2 0.00000 0.17410 0.00000 0.00000 -0.93481
|
|
219 13F 0 0.00688 0.00000 -0.01295 0.01111 0.00000
|
|
220 13F+1 0.00000 0.01019 0.00000 0.00000 0.02308
|
|
221 13F-1 0.00000 -0.00504 0.00000 0.00000 0.01964
|
|
222 13F+2 -0.00200 0.00000 0.00107 -0.02375 0.00000
|
|
223 13F-2 -0.02086 0.00000 0.00971 -0.03133 0.00000
|
|
224 13F+3 0.00000 -0.07062 0.00000 0.00000 -0.03176
|
|
225 13F-3 0.00000 0.01686 0.00000 0.00000 -0.04671
|
|
226 14F 0 -0.06638 0.00000 0.12250 -0.13805 0.00000
|
|
227 14F+1 0.00000 -0.20051 0.00000 0.00000 -0.25566
|
|
228 14F-1 0.00000 0.04418 0.00000 0.00000 -0.20699
|
|
229 14F+2 0.01350 0.00000 -0.02253 0.24557 0.00000
|
|
230 14F-2 0.18387 0.00000 -0.10072 0.26970 0.00000
|
|
231 14F+3 0.00000 0.79809 0.00000 0.00000 0.37420
|
|
232 14F-3 0.00000 -0.18636 0.00000 0.00000 0.48138
|
|
233 15G 0 0.00000 -0.00710 0.00000 0.00000 -0.00187
|
|
234 15G+1 -0.00218 0.00000 0.00028 0.00480 0.00000
|
|
235 15G-1 0.00040 0.00000 -0.00049 -0.00072 0.00000
|
|
236 15G+2 0.00000 0.00937 0.00000 0.00000 0.00459
|
|
237 15G-2 0.00000 -0.00113 0.00000 0.00000 0.00353
|
|
238 15G+3 0.00103 0.00000 0.00249 -0.00186 0.00000
|
|
239 15G-3 0.00077 0.00000 0.00337 0.00326 0.00000
|
|
240 15G+4 0.00000 -0.01120 0.00000 0.00000 -0.00841
|
|
241 15G-4 0.00000 0.00378 0.00000 0.00000 -0.00954
|
|
242 4 H 1S 0.00000 -0.03700 0.00000 0.00000 0.00515
|
|
243 2S 0.00000 1.15714 0.00000 0.00000 -0.36705
|
|
244 3S 0.00000 -4.05259 0.00000 0.00000 5.49115
|
|
245 4S 0.00000 -5.04915 0.00000 0.00000 2.74016
|
|
246 5S 0.00000 -0.35818 0.00000 0.00000 -0.37323
|
|
247 6PX 0.00000 -0.04298 0.00000 0.00000 0.00114
|
|
248 6PY 0.00000 0.00305 0.00000 0.00000 0.02002
|
|
249 6PZ -0.01755 0.00000 -0.00386 0.03026 0.00000
|
|
250 7PX 0.00000 0.38335 0.00000 0.00000 -0.03627
|
|
251 7PY 0.00000 -0.05037 0.00000 0.00000 -0.14891
|
|
252 7PZ 0.19297 0.00000 0.05795 -0.20318 0.00000
|
|
253 8PX 0.00000 -2.09513 0.00000 0.00000 2.46970
|
|
254 8PY 0.00000 0.74580 0.00000 0.00000 0.53923
|
|
255 8PZ -2.65530 0.00000 -0.06034 0.38759 0.00000
|
|
256 9PX 0.00000 -2.61529 0.00000 0.00000 1.65914
|
|
257 9PY 0.00000 0.77913 0.00000 0.00000 1.67621
|
|
258 9PZ -1.67923 0.00000 1.45868 -0.37933 0.00000
|
|
259 10D 0 0.00000 -0.02656 0.00000 0.00000 0.04123
|
|
260 10D+1 -0.02008 0.00000 0.02997 0.03274 0.00000
|
|
261 10D-1 0.00668 0.00000 0.03306 0.02359 0.00000
|
|
262 10D+2 0.00000 0.00128 0.00000 0.00000 0.01607
|
|
263 10D-2 0.00000 0.03543 0.00000 0.00000 0.01034
|
|
264 11D 0 0.00000 0.11987 0.00000 0.00000 -0.32357
|
|
265 11D+1 0.04645 0.00000 -0.32603 -0.17875 0.00000
|
|
266 11D-1 -0.03543 0.00000 -0.17562 -0.14629 0.00000
|
|
267 11D+2 0.00000 0.04664 0.00000 0.00000 -0.00995
|
|
268 11D-2 0.00000 -0.29599 0.00000 0.00000 -0.13008
|
|
269 12D 0 0.00000 0.14307 0.00000 0.00000 0.42882
|
|
270 12D+1 -2.37879 0.00000 0.91877 -0.29493 0.00000
|
|
271 12D-1 0.64529 0.00000 0.27783 0.30810 0.00000
|
|
272 12D+2 0.00000 -0.70928 0.00000 0.00000 1.34434
|
|
273 12D-2 0.00000 1.26232 0.00000 0.00000 0.86056
|
|
274 13F 0 0.00047 0.00000 0.02234 -0.03129 0.00000
|
|
275 13F+1 0.00000 0.05403 0.00000 0.00000 -0.03142
|
|
276 13F-1 0.00000 0.00341 0.00000 0.00000 0.01229
|
|
277 13F+2 0.00301 0.00000 -0.04481 0.03489 0.00000
|
|
278 13F-2 -0.00053 0.00000 0.00476 -0.02195 0.00000
|
|
279 13F+3 0.00000 -0.01581 0.00000 0.00000 -0.00102
|
|
280 13F-3 0.00000 -0.02890 0.00000 0.00000 0.01487
|
|
281 14F 0 0.43823 0.00000 -0.17544 0.33478 0.00000
|
|
282 14F+1 0.00000 -0.49800 0.00000 0.00000 0.32256
|
|
283 14F-1 0.00000 -0.07668 0.00000 0.00000 -0.20166
|
|
284 14F+2 -0.54880 0.00000 0.36285 -0.29421 0.00000
|
|
285 14F-2 0.27434 0.00000 0.00094 0.37683 0.00000
|
|
286 14F+3 0.00000 0.06640 0.00000 0.00000 0.36981
|
|
287 14F-3 0.00000 0.54257 0.00000 0.00000 -0.10049
|
|
288 15G 0 0.00000 0.00717 0.00000 0.00000 -0.01391
|
|
289 15G+1 0.03985 0.00000 -0.00581 0.00919 0.00000
|
|
290 15G-1 -0.00948 0.00000 0.00591 -0.00958 0.00000
|
|
291 15G+2 0.00000 -0.00486 0.00000 0.00000 0.00576
|
|
292 15G-2 0.00000 -0.00523 0.00000 0.00000 -0.00771
|
|
293 15G+3 -0.02495 0.00000 0.01272 0.01040 0.00000
|
|
294 15G-3 0.02697 0.00000 -0.00654 0.01839 0.00000
|
|
295 15G+4 0.00000 0.00922 0.00000 0.00000 0.02682
|
|
296 15G-4 0.00000 0.03300 0.00000 0.00000 -0.00075
|
|
297 5 H 1S -0.00593 0.00803 0.02225 -0.02217 -0.00134
|
|
298 2S 0.25288 -0.19433 -0.61501 0.83810 0.10085
|
|
299 3S -3.89113 -3.76991 -3.69021 -10.00855 -4.00352
|
|
300 4S -2.62273 -0.59815 -0.94466 -7.42784 -3.47798
|
|
301 5S 0.00356 -0.01447 0.23676 -0.00561 0.06301
|
|
302 6PX -0.01778 -0.00691 -0.00779 0.02470 0.00402
|
|
303 6PY 0.00080 0.00483 0.01444 0.00349 0.00423
|
|
304 6PZ 0.01539 -0.01001 -0.02836 0.01212 0.00240
|
|
305 7PX 0.15274 0.03444 0.03420 -0.23860 -0.06700
|
|
306 7PY -0.01999 -0.02960 -0.11555 -0.06923 -0.04756
|
|
307 7PZ -0.16598 0.03012 0.20355 -0.16697 -0.04827
|
|
308 8PX -1.24967 1.19610 0.99808 3.02758 1.04494
|
|
309 8PY 0.70453 0.39431 1.64569 1.83196 0.48952
|
|
310 8PZ 2.82401 1.15277 1.03499 3.92641 1.74457
|
|
311 9PX -0.85423 1.53842 -0.29726 2.02580 0.07134
|
|
312 9PY 0.54213 0.15974 0.98781 1.25947 -0.31885
|
|
313 9PZ 2.00108 -0.44171 0.40874 3.36096 2.05242
|
|
314 10D 0 -0.02461 0.03042 0.01724 0.00671 -0.00296
|
|
315 10D+1 0.02788 0.00121 -0.00111 0.02778 0.03314
|
|
316 10D-1 0.00980 0.00284 0.03218 0.00058 0.01758
|
|
317 10D+2 0.01738 0.00764 0.03632 -0.01003 -0.01407
|
|
318 10D-2 0.01201 0.03268 0.00776 0.03707 -0.03059
|
|
319 11D 0 0.11012 -0.30555 -0.13621 -0.02235 0.05134
|
|
320 11D+1 -0.18730 -0.04351 -0.12535 -0.26583 -0.29312
|
|
321 11D-1 -0.08897 -0.08492 -0.30854 -0.04640 -0.18434
|
|
322 11D+2 -0.09488 -0.02308 -0.24378 0.03285 0.07178
|
|
323 11D-2 -0.09161 -0.21401 -0.12276 -0.28030 0.14677
|
|
324 12D 0 -2.08568 0.49940 0.00066 -1.08200 -1.13726
|
|
325 12D+1 0.67805 -1.07690 -0.47801 -1.45678 -0.00069
|
|
326 12D-1 -0.68087 0.10654 -0.27033 -1.28759 0.21676
|
|
327 12D+2 0.94394 -0.52261 0.69442 -0.40342 -0.46790
|
|
328 12D-2 0.50805 0.11552 -0.34484 -0.19966 -0.76967
|
|
329 13F 0 -0.00546 0.02654 -0.02993 -0.01800 -0.06150
|
|
330 13F+1 -0.01174 -0.03052 -0.05361 -0.01649 0.01987
|
|
331 13F-1 -0.00859 0.00177 0.00698 -0.05574 0.00895
|
|
332 13F+2 0.00264 -0.02455 -0.00485 0.02036 -0.01467
|
|
333 13F-2 0.00193 -0.01045 -0.00584 0.02222 -0.01057
|
|
334 13F+3 0.00469 -0.02039 0.01183 -0.01646 0.02065
|
|
335 13F-3 0.00578 0.01133 0.02103 0.01709 -0.03794
|
|
336 14F 0 0.54327 -0.22454 0.10719 0.09056 0.65253
|
|
337 14F+1 0.18556 0.51721 0.69575 0.47964 -0.09891
|
|
338 14F-1 0.33842 -0.02083 -0.05141 0.80857 -0.06074
|
|
339 14F+2 -0.30883 0.35963 -0.01636 -0.04678 0.26434
|
|
340 14F-2 -0.10268 0.15495 0.19892 -0.00997 0.26881
|
|
341 14F+3 -0.12493 0.16900 -0.21277 0.21787 -0.19482
|
|
342 14F-3 -0.20191 -0.08540 -0.21565 -0.12576 0.48906
|
|
343 15G 0 -0.02939 0.00992 0.00932 0.01133 -0.01881
|
|
344 15G+1 -0.02312 -0.01360 -0.01578 -0.01531 -0.00249
|
|
345 15G-1 -0.02713 0.01064 0.00951 -0.02328 -0.00155
|
|
346 15G+2 0.01864 -0.01736 -0.00813 -0.00027 -0.00905
|
|
347 15G-2 -0.00004 -0.00279 -0.00557 -0.01753 -0.00591
|
|
348 15G+3 0.00892 -0.00394 0.00950 -0.00931 0.00041
|
|
349 15G-3 0.01932 -0.00782 0.00947 0.00094 -0.01530
|
|
350 15G+4 -0.00246 -0.00218 0.00107 -0.00758 0.00810
|
|
351 15G-4 0.00937 -0.00011 0.00767 -0.00194 -0.00513
|
|
352 6 H 1S 0.00593 0.00803 -0.02225 0.02217 -0.00134
|
|
353 2S -0.25288 -0.19433 0.61501 -0.83810 0.10085
|
|
354 3S 3.89113 -3.76991 3.69021 10.00855 -4.00352
|
|
355 4S 2.62273 -0.59815 0.94466 7.42784 -3.47798
|
|
356 5S -0.00356 -0.01447 -0.23676 0.00561 0.06301
|
|
357 6PX 0.01778 -0.00691 0.00779 -0.02470 0.00402
|
|
358 6PY -0.00080 0.00483 -0.01444 -0.00349 0.00423
|
|
359 6PZ 0.01539 0.01001 -0.02836 0.01212 -0.00240
|
|
360 7PX -0.15274 0.03444 -0.03420 0.23860 -0.06700
|
|
361 7PY 0.01999 -0.02960 0.11555 0.06923 -0.04756
|
|
362 7PZ -0.16598 -0.03012 0.20355 -0.16697 0.04827
|
|
363 8PX 1.24967 1.19610 -0.99808 -3.02758 1.04494
|
|
364 8PY -0.70453 0.39431 -1.64569 -1.83196 0.48952
|
|
365 8PZ 2.82401 -1.15277 1.03499 3.92641 -1.74457
|
|
366 9PX 0.85423 1.53842 0.29726 -2.02580 0.07134
|
|
367 9PY -0.54213 0.15974 -0.98781 -1.25947 -0.31885
|
|
368 9PZ 2.00108 0.44171 0.40874 3.36096 -2.05242
|
|
369 10D 0 0.02461 0.03042 -0.01724 -0.00671 -0.00296
|
|
370 10D+1 0.02788 -0.00121 -0.00111 0.02778 -0.03314
|
|
371 10D-1 0.00980 -0.00284 0.03218 0.00058 -0.01758
|
|
372 10D+2 -0.01738 0.00764 -0.03632 0.01003 -0.01407
|
|
373 10D-2 -0.01201 0.03268 -0.00776 -0.03707 -0.03059
|
|
374 11D 0 -0.11012 -0.30555 0.13621 0.02235 0.05134
|
|
375 11D+1 -0.18730 0.04351 -0.12535 -0.26583 0.29312
|
|
376 11D-1 -0.08897 0.08492 -0.30854 -0.04640 0.18434
|
|
377 11D+2 0.09488 -0.02308 0.24378 -0.03285 0.07178
|
|
378 11D-2 0.09161 -0.21401 0.12276 0.28030 0.14677
|
|
379 12D 0 2.08568 0.49940 -0.00066 1.08200 -1.13726
|
|
380 12D+1 0.67805 1.07690 -0.47801 -1.45678 0.00069
|
|
381 12D-1 -0.68087 -0.10654 -0.27033 -1.28759 -0.21676
|
|
382 12D+2 -0.94394 -0.52261 -0.69442 0.40342 -0.46790
|
|
383 12D-2 -0.50805 0.11552 0.34484 0.19966 -0.76967
|
|
384 13F 0 -0.00546 -0.02654 -0.02993 -0.01800 0.06150
|
|
385 13F+1 0.01174 -0.03052 0.05361 0.01649 0.01987
|
|
386 13F-1 0.00859 0.00177 -0.00698 0.05574 0.00895
|
|
387 13F+2 0.00264 0.02455 -0.00485 0.02036 0.01467
|
|
388 13F-2 0.00193 0.01045 -0.00584 0.02222 0.01057
|
|
389 13F+3 -0.00469 -0.02039 -0.01183 0.01646 0.02065
|
|
390 13F-3 -0.00578 0.01133 -0.02103 -0.01709 -0.03794
|
|
391 14F 0 0.54327 0.22454 0.10719 0.09056 -0.65253
|
|
392 14F+1 -0.18556 0.51721 -0.69575 -0.47964 -0.09891
|
|
393 14F-1 -0.33842 -0.02083 0.05141 -0.80857 -0.06074
|
|
394 14F+2 -0.30883 -0.35963 -0.01636 -0.04678 -0.26434
|
|
395 14F-2 -0.10268 -0.15495 0.19892 -0.00997 -0.26881
|
|
396 14F+3 0.12493 0.16900 0.21277 -0.21787 -0.19482
|
|
397 14F-3 0.20191 -0.08540 0.21565 0.12576 0.48906
|
|
398 15G 0 0.02939 0.00992 -0.00932 -0.01133 -0.01881
|
|
399 15G+1 -0.02312 0.01360 -0.01578 -0.01531 0.00249
|
|
400 15G-1 -0.02713 -0.01064 0.00951 -0.02328 0.00155
|
|
401 15G+2 -0.01864 -0.01736 0.00813 0.00027 -0.00905
|
|
402 15G-2 0.00004 -0.00279 0.00557 0.01753 -0.00591
|
|
403 15G+3 0.00892 0.00394 0.00950 -0.00931 -0.00041
|
|
404 15G-3 0.01932 0.00782 0.00947 0.00094 0.01530
|
|
405 15G+4 0.00246 -0.00218 -0.00107 0.00758 0.00810
|
|
406 15G-4 -0.00937 -0.00011 -0.00767 0.00194 -0.00513
|
|
181 182 183 184 185
|
|
V V V V V
|
|
Eigenvalues -- 4.90125 4.94940 4.97176 4.99813 5.03668
|
|
1 1 C 1S 0.00701 0.00000 -0.03026 0.00000 -0.02509
|
|
2 2S -0.00123 0.00000 0.01146 0.00000 -0.00731
|
|
3 3S 0.10314 0.00000 -0.50728 0.00000 -0.39966
|
|
4 4S 0.61325 0.00000 1.04010 0.00000 -1.92320
|
|
5 5S -5.76779 0.00000 11.43053 0.00000 18.15010
|
|
6 6S -1.45102 0.00000 3.49861 0.00000 2.84041
|
|
7 7PX -0.02081 0.00000 0.00207 0.00000 -0.01415
|
|
8 7PY -0.00061 0.00000 -0.06804 0.00000 -0.03206
|
|
9 7PZ 0.00000 -0.01562 0.00000 -0.00304 0.00000
|
|
10 8PX -0.82441 0.00000 -0.10979 0.00000 -0.41082
|
|
11 8PY -0.18370 0.00000 -0.19676 0.00000 -0.49790
|
|
12 8PZ 0.00000 -0.80873 0.00000 -0.12632 0.00000
|
|
13 9PX 18.66335 0.00000 3.57710 0.00000 13.13014
|
|
14 9PY 1.31641 0.00000 2.15554 0.00000 4.39739
|
|
15 9PZ 0.00000 18.09227 0.00000 1.41701 0.00000
|
|
16 10PX 9.25879 0.00000 3.43620 0.00000 4.81580
|
|
17 10PY 0.86377 0.00000 0.37804 0.00000 1.59649
|
|
18 10PZ 0.00000 8.59474 0.00000 -0.11436 0.00000
|
|
19 11PX 0.12801 0.00000 0.41290 0.00000 0.37350
|
|
20 11PY -0.00297 0.00000 -0.31912 0.00000 -0.14188
|
|
21 11PZ 0.00000 0.41814 0.00000 0.02544 0.00000
|
|
22 12D 0 -0.06133 0.00000 -0.04749 0.00000 -0.05262
|
|
23 12D+1 0.00000 -0.06830 0.00000 0.00232 0.00000
|
|
24 12D-1 0.00000 -0.04590 0.00000 -0.00411 0.00000
|
|
25 12D+2 0.05363 0.00000 -0.02157 0.00000 0.02357
|
|
26 12D-2 -0.04394 0.00000 -0.00622 0.00000 -0.04010
|
|
27 13D 0 0.50508 0.00000 0.37036 0.00000 0.52390
|
|
28 13D+1 0.00000 0.51721 0.00000 -0.02396 0.00000
|
|
29 13D-1 0.00000 0.32320 0.00000 0.05847 0.00000
|
|
30 13D+2 -0.34467 0.00000 0.19807 0.00000 -0.33299
|
|
31 13D-2 0.27587 0.00000 0.07135 0.00000 0.53284
|
|
32 14D 0 5.64562 0.00000 2.96405 0.00000 4.47836
|
|
33 14D+1 0.00000 5.89848 0.00000 0.52177 0.00000
|
|
34 14D-1 0.00000 6.14684 0.00000 0.31795 0.00000
|
|
35 14D+2 -5.27397 0.00000 0.39748 0.00000 -0.23770
|
|
36 14D-2 4.82081 0.00000 0.49113 0.00000 1.51860
|
|
37 15D 0 1.67992 0.00000 0.88187 0.00000 0.40326
|
|
38 15D+1 0.00000 1.11556 0.00000 -0.09620 0.00000
|
|
39 15D-1 0.00000 2.90328 0.00000 0.44038 0.00000
|
|
40 15D+2 -1.57935 0.00000 -0.33437 0.00000 -0.08142
|
|
41 15D-2 2.50231 0.00000 -0.22736 0.00000 -0.21033
|
|
42 16F 0 0.00000 -0.05326 0.00000 -0.03785 0.00000
|
|
43 16F+1 0.01263 0.00000 -0.02577 0.00000 -0.06393
|
|
44 16F-1 0.00226 0.00000 -0.00703 0.00000 -0.01238
|
|
45 16F+2 0.00000 0.01815 0.00000 0.01432 0.00000
|
|
46 16F-2 0.00000 -0.00796 0.00000 0.00416 0.00000
|
|
47 16F+3 -0.05317 0.00000 0.00953 0.00000 -0.04552
|
|
48 16F-3 -0.00864 0.00000 0.01936 0.00000 -0.06257
|
|
49 17F 0 0.00000 0.99484 0.00000 0.37488 0.00000
|
|
50 17F+1 -0.23488 0.00000 0.77668 0.00000 1.21197
|
|
51 17F-1 0.63437 0.00000 0.33216 0.00000 0.74998
|
|
52 17F+2 0.00000 -0.19659 0.00000 -0.09138 0.00000
|
|
53 17F-2 0.00000 0.86262 0.00000 -0.02246 0.00000
|
|
54 17F+3 1.10181 0.00000 -0.07096 0.00000 0.67297
|
|
55 17F-3 -0.40648 0.00000 -0.17534 0.00000 0.52970
|
|
56 18F 0 0.00000 0.15094 0.00000 0.06709 0.00000
|
|
57 18F+1 -0.12824 0.00000 0.86776 0.00000 1.32059
|
|
58 18F-1 0.44229 0.00000 0.91469 0.00000 1.41984
|
|
59 18F+2 0.00000 0.42690 0.00000 0.27971 0.00000
|
|
60 18F-2 0.00000 0.89826 0.00000 -0.02074 0.00000
|
|
61 18F+3 1.98378 0.00000 -0.55477 0.00000 -0.64221
|
|
62 18F-3 -0.47065 0.00000 -0.21101 0.00000 0.75424
|
|
63 19G 0 -0.02498 0.00000 -0.00768 0.00000 0.01461
|
|
64 19G+1 0.00000 0.05287 0.00000 0.00238 0.00000
|
|
65 19G-1 0.00000 0.06361 0.00000 -0.01719 0.00000
|
|
66 19G+2 -0.01133 0.00000 0.07263 0.00000 0.04217
|
|
67 19G-2 0.00896 0.00000 0.02222 0.00000 -0.00801
|
|
68 19G+3 0.00000 -0.01269 0.00000 -0.01418 0.00000
|
|
69 19G-3 0.00000 -0.04931 0.00000 0.02581 0.00000
|
|
70 19G+4 0.01365 0.00000 0.00849 0.00000 -0.01581
|
|
71 19G-4 0.04993 0.00000 -0.00181 0.00000 -0.00156
|
|
72 20G 0 -0.39319 0.00000 0.42611 0.00000 -0.64242
|
|
73 20G+1 0.00000 0.39401 0.00000 0.04703 0.00000
|
|
74 20G-1 0.00000 0.33747 0.00000 0.66417 0.00000
|
|
75 20G+2 0.92994 0.00000 -0.55941 0.00000 0.55512
|
|
76 20G-2 0.23037 0.00000 0.00200 0.00000 1.01761
|
|
77 20G+3 0.00000 0.20598 0.00000 0.34252 0.00000
|
|
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334 13F+3 0.01410 -0.00553 0.02002 -0.03645 -0.00057
|
|
335 13F-3 -0.02583 -0.02802 0.00945 0.00633 -0.00104
|
|
336 14F 0 0.30804 -0.34492 -0.15186 -0.46791 0.11007
|
|
337 14F+1 0.39233 0.42308 -0.05853 0.09245 0.23402
|
|
338 14F-1 0.04446 0.39817 0.26556 0.23983 0.52754
|
|
339 14F+2 0.02959 0.33972 -0.18723 0.11395 -0.32393
|
|
340 14F-2 0.25321 0.60148 0.43950 -0.14375 0.39774
|
|
341 14F+3 -0.19313 -0.01554 -0.22524 0.41593 -0.05574
|
|
342 14F-3 0.22551 0.45418 0.01622 -0.05409 -0.03633
|
|
343 15G 0 -0.00265 0.00643 0.00982 0.01354 0.01050
|
|
344 15G+1 -0.01475 -0.00299 0.00006 0.00423 -0.00848
|
|
345 15G-1 -0.00512 -0.00180 -0.00633 -0.00476 -0.02072
|
|
346 15G+2 -0.00160 -0.01282 0.00266 -0.00052 0.01154
|
|
347 15G-2 -0.01287 -0.02949 -0.01388 -0.00133 -0.01481
|
|
348 15G+3 0.00296 0.00519 0.00907 -0.00607 0.00728
|
|
349 15G-3 -0.00495 -0.02483 -0.00309 0.00248 0.00152
|
|
350 15G+4 -0.00134 0.00824 0.00496 -0.00456 -0.00164
|
|
351 15G-4 0.00070 -0.00423 -0.00091 -0.00069 0.00332
|
|
352 6 H 1S -0.01481 0.03140 -0.02227 0.00169 -0.00157
|
|
353 2S 0.49116 -1.04250 0.75357 -0.01555 0.06835
|
|
354 3S -6.93595 14.11761 -5.95427 0.84904 -10.20212
|
|
355 4S -5.19292 9.61358 -4.34589 0.34406 -5.93569
|
|
356 5S 0.28474 -0.04789 -0.11621 0.03985 -0.09081
|
|
357 6PX 0.00649 0.00099 0.01926 0.01315 0.01507
|
|
358 6PY 0.01201 -0.00517 0.00096 -0.00610 0.00442
|
|
359 6PZ -0.00801 0.03276 -0.00894 0.00744 -0.01688
|
|
360 7PX -0.05108 0.07131 -0.19136 -0.05397 -0.12582
|
|
361 7PY -0.11236 0.10519 -0.03553 0.05482 -0.08585
|
|
362 7PZ 0.12362 -0.34641 0.11959 -0.03835 0.23671
|
|
363 8PX 1.19424 -3.35814 1.86448 -0.54952 1.68372
|
|
364 8PY 1.49165 -2.70941 1.22357 -0.45188 2.07362
|
|
365 8PZ -3.26316 5.98840 -1.89248 0.11810 -4.52915
|
|
366 9PX 1.08845 -3.19352 1.07516 -0.21346 1.17123
|
|
367 9PY 0.73335 -1.43000 1.44146 -0.04526 1.50617
|
|
368 9PZ -2.66072 4.21249 -1.65216 0.21673 -2.89265
|
|
369 10D 0 0.02628 -0.00659 0.01348 0.04063 0.04675
|
|
370 10D+1 0.00385 0.04012 -0.00804 0.02845 -0.00617
|
|
371 10D-1 -0.02007 0.03896 -0.00682 0.03622 -0.00339
|
|
372 10D+2 0.00068 0.00637 0.01721 -0.03419 -0.01840
|
|
373 10D-2 -0.00529 0.01070 0.00113 0.05386 0.03267
|
|
374 11D 0 -0.23445 0.13103 -0.09024 -0.30069 -0.45241
|
|
375 11D+1 -0.02083 -0.32710 0.09904 -0.22092 0.11337
|
|
376 11D-1 0.17877 -0.34816 0.01911 -0.22401 0.10639
|
|
377 11D+2 0.02944 -0.06509 -0.14896 0.23221 0.13585
|
|
378 11D-2 0.03450 -0.01848 -0.01288 -0.29211 -0.23313
|
|
379 12D 0 -1.12351 0.98168 -0.05139 -0.17283 -0.93267
|
|
380 12D+1 0.90729 -2.07791 0.74044 -0.20132 0.77035
|
|
381 12D-1 0.65764 -1.39103 0.94314 -0.25505 1.51093
|
|
382 12D+2 0.03450 0.78353 0.17880 0.13320 0.21779
|
|
383 12D-2 -0.50640 1.14443 -0.69174 0.01443 -0.23019
|
|
384 13F 0 0.01324 0.03642 -0.00802 0.02356 -0.00715
|
|
385 13F+1 -0.02076 0.00803 0.02313 0.00704 0.00222
|
|
386 13F-1 0.01638 0.01169 -0.01371 0.01846 -0.01164
|
|
387 13F+2 0.00980 -0.02313 -0.02754 -0.00390 -0.01674
|
|
388 13F-2 0.01516 -0.01623 0.02300 0.01900 0.02188
|
|
389 13F+3 0.01410 0.00553 0.02002 0.03645 -0.00057
|
|
390 13F-3 -0.02583 0.02802 0.00945 -0.00633 -0.00104
|
|
391 14F 0 -0.30804 -0.34492 0.15186 -0.46791 -0.11007
|
|
392 14F+1 0.39233 -0.42308 -0.05853 -0.09245 0.23402
|
|
393 14F-1 0.04446 -0.39817 0.26556 -0.23983 0.52754
|
|
394 14F+2 -0.02959 0.33972 0.18723 0.11395 0.32393
|
|
395 14F-2 -0.25321 0.60148 -0.43950 -0.14375 -0.39774
|
|
396 14F+3 -0.19313 0.01554 -0.22524 -0.41593 -0.05574
|
|
397 14F-3 0.22551 -0.45418 0.01622 0.05409 -0.03633
|
|
398 15G 0 -0.00265 -0.00643 0.00982 -0.01354 0.01050
|
|
399 15G+1 0.01475 -0.00299 -0.00006 0.00423 0.00848
|
|
400 15G-1 0.00512 -0.00180 0.00633 -0.00476 0.02072
|
|
401 15G+2 -0.00160 0.01282 0.00266 0.00052 0.01154
|
|
402 15G-2 -0.01287 0.02949 -0.01388 0.00133 -0.01481
|
|
403 15G+3 -0.00296 0.00519 -0.00907 -0.00607 -0.00728
|
|
404 15G-3 0.00495 -0.02483 0.00309 0.00248 -0.00152
|
|
405 15G+4 -0.00134 -0.00824 0.00496 0.00456 -0.00164
|
|
406 15G-4 0.00070 0.00423 -0.00091 0.00069 0.00332
|
|
186 187 188 189 190
|
|
V V V V V
|
|
Eigenvalues -- 5.07973 5.10326 5.11436 5.13774 5.17545
|
|
1 1 C 1S -0.00628 0.00000 -0.03162 0.00000 0.00000
|
|
2 2S -0.08564 0.00000 0.05211 0.00000 0.00000
|
|
3 3S -0.64953 0.00000 -0.10028 0.00000 0.00000
|
|
4 4S 1.47501 0.00000 -3.73362 0.00000 0.00000
|
|
5 5S 9.22369 0.00000 20.14079 0.00000 0.00000
|
|
6 6S 3.56801 0.00000 5.10477 0.00000 0.00000
|
|
7 7PX 0.02376 0.00000 0.01809 0.00000 0.00000
|
|
8 7PY 0.09100 0.00000 -0.09096 0.00000 0.00000
|
|
9 7PZ 0.00000 0.01512 0.00000 0.07704 -0.00191
|
|
10 8PX 0.16549 0.00000 0.84247 0.00000 0.00000
|
|
11 8PY 0.19704 0.00000 -0.60618 0.00000 0.00000
|
|
12 8PZ 0.00000 0.33209 0.00000 0.27644 -0.15103
|
|
13 9PX -0.40349 0.00000 -12.15458 0.00000 0.00000
|
|
14 9PY 2.68306 0.00000 2.39330 0.00000 0.00000
|
|
15 9PZ 0.00000 -2.45778 0.00000 0.03145 5.21270
|
|
16 10PX -1.36642 0.00000 -4.32384 0.00000 0.00000
|
|
17 10PY 1.93898 0.00000 -1.53525 0.00000 0.00000
|
|
18 10PZ 0.00000 -2.73769 0.00000 -0.54260 1.47603
|
|
19 11PX 0.13350 0.00000 -0.26416 0.00000 0.00000
|
|
20 11PY 0.06928 0.00000 -0.75114 0.00000 0.00000
|
|
21 11PZ 0.00000 -0.00401 0.00000 0.46235 0.23090
|
|
22 12D 0 -0.00662 0.00000 0.01899 0.00000 0.00000
|
|
23 12D+1 0.00000 0.00200 0.00000 -0.02436 -0.02575
|
|
24 12D-1 0.00000 0.01737 0.00000 0.03137 0.00326
|
|
25 12D+2 0.00333 0.00000 -0.02019 0.00000 0.00000
|
|
26 12D-2 0.02298 0.00000 0.01645 0.00000 0.00000
|
|
27 13D 0 0.03323 0.00000 -0.17864 0.00000 0.00000
|
|
28 13D+1 0.00000 0.09676 0.00000 0.00221 0.39085
|
|
29 13D-1 0.00000 -0.13392 0.00000 -0.66658 0.15269
|
|
30 13D+2 0.06752 0.00000 0.15541 0.00000 0.00000
|
|
31 13D-2 -0.32547 0.00000 -0.13916 0.00000 0.00000
|
|
32 14D 0 -0.69990 0.00000 -1.27883 0.00000 0.00000
|
|
33 14D+1 0.00000 -1.71682 0.00000 0.16633 0.14752
|
|
34 14D-1 0.00000 -1.88478 0.00000 1.21612 -1.04676
|
|
35 14D+2 -0.88707 0.00000 4.28217 0.00000 0.00000
|
|
36 14D-2 0.25208 0.00000 -1.98043 0.00000 0.00000
|
|
37 15D 0 0.21279 0.00000 -0.08923 0.00000 0.00000
|
|
38 15D+1 0.00000 -0.55650 0.00000 0.17129 -0.67416
|
|
39 15D-1 0.00000 -2.01224 0.00000 1.08122 -2.17012
|
|
40 15D+2 0.25506 0.00000 -0.63432 0.00000 0.00000
|
|
41 15D-2 0.50266 0.00000 -0.98110 0.00000 0.00000
|
|
42 16F 0 0.00000 -0.02939 0.00000 0.02494 -0.05416
|
|
43 16F+1 0.06376 0.00000 -0.06808 0.00000 0.00000
|
|
44 16F-1 -0.03679 0.00000 -0.06082 0.00000 0.00000
|
|
45 16F+2 0.00000 -0.01347 0.00000 0.01487 -0.05765
|
|
46 16F-2 0.00000 0.01240 0.00000 -0.02319 0.02831
|
|
47 16F+3 -0.00887 0.00000 0.07300 0.00000 0.00000
|
|
48 16F-3 -0.03935 0.00000 -0.02155 0.00000 0.00000
|
|
49 17F 0 0.00000 0.41724 0.00000 -0.15642 0.75945
|
|
50 17F+1 -0.20803 0.00000 1.10571 0.00000 0.00000
|
|
51 17F-1 0.59513 0.00000 0.41844 0.00000 0.00000
|
|
52 17F+2 0.00000 0.13295 0.00000 0.07065 0.78842
|
|
53 17F-2 0.00000 -0.31937 0.00000 0.15777 -0.23552
|
|
54 17F+3 -0.01365 0.00000 -1.04953 0.00000 0.00000
|
|
55 17F-3 0.71435 0.00000 0.48375 0.00000 0.00000
|
|
56 18F 0 0.00000 -0.20678 0.00000 0.73246 -0.27545
|
|
57 18F+1 0.28625 0.00000 1.04178 0.00000 0.00000
|
|
58 18F-1 0.52796 0.00000 0.56128 0.00000 0.00000
|
|
59 18F+2 0.00000 -0.13685 0.00000 0.86615 -0.50862
|
|
60 18F-2 0.00000 0.45035 0.00000 0.74232 0.50186
|
|
61 18F+3 0.35336 0.00000 -0.85975 0.00000 0.00000
|
|
62 18F-3 0.16007 0.00000 1.74312 0.00000 0.00000
|
|
63 19G 0 -0.01743 0.00000 0.02304 0.00000 0.00000
|
|
64 19G+1 0.00000 -0.00401 0.00000 0.07108 0.01387
|
|
65 19G-1 0.00000 0.00583 0.00000 0.01877 -0.01556
|
|
66 19G+2 0.00206 0.00000 -0.01443 0.00000 0.00000
|
|
67 19G-2 0.01807 0.00000 -0.03005 0.00000 0.00000
|
|
68 19G+3 0.00000 0.04658 0.00000 -0.00876 0.05826
|
|
69 19G-3 0.00000 -0.02604 0.00000 0.02130 -0.00095
|
|
70 19G+4 -0.03078 0.00000 0.02165 0.00000 0.00000
|
|
71 19G-4 0.00137 0.00000 0.01597 0.00000 0.00000
|
|
72 20G 0 -0.11435 0.00000 0.45335 0.00000 0.00000
|
|
73 20G+1 0.00000 0.29428 0.00000 -0.72397 0.86100
|
|
74 20G-1 0.00000 -0.12041 0.00000 -0.00118 0.37693
|
|
75 20G+2 -0.34237 0.00000 -0.58794 0.00000 0.00000
|
|
76 20G-2 0.43921 0.00000 0.66621 0.00000 0.00000
|
|
77 20G+3 0.00000 -0.63442 0.00000 0.06434 -0.65952
|
|
78 20G-3 0.00000 0.17267 0.00000 0.06244 -0.01571
|
|
79 20G+4 -0.06701 0.00000 0.68838 0.00000 0.00000
|
|
80 20G-4 -0.22878 0.00000 -0.70649 0.00000 0.00000
|
|
81 21H 0 0.00000 0.08477 0.00000 0.02241 0.07306
|
|
82 21H+1 -0.05357 0.00000 0.00719 0.00000 0.00000
|
|
83 21H-1 0.00148 0.00000 0.04311 0.00000 0.00000
|
|
84 21H+2 0.00000 -0.02094 0.00000 -0.03669 -0.02161
|
|
85 21H-2 0.00000 -0.00357 0.00000 0.04143 0.01226
|
|
86 21H+3 -0.03649 0.00000 0.01939 0.00000 0.00000
|
|
87 21H-3 0.00269 0.00000 -0.03108 0.00000 0.00000
|
|
88 21H+4 0.00000 -0.01705 0.00000 0.00213 0.06044
|
|
89 21H-4 0.00000 -0.02544 0.00000 0.05339 -0.02649
|
|
90 21H+5 0.02902 0.00000 -0.03401 0.00000 0.00000
|
|
91 21H-5 -0.01475 0.00000 0.03094 0.00000 0.00000
|
|
92 2 S 1S -0.00348 0.00000 -0.00381 0.00000 0.00000
|
|
93 2S -0.00287 0.00000 0.01909 0.00000 0.00000
|
|
94 3S -0.04190 0.00000 0.01347 0.00000 0.00000
|
|
95 4S -0.11232 0.00000 0.36273 0.00000 0.00000
|
|
96 5S 1.84077 0.00000 0.35200 0.00000 0.00000
|
|
97 6S -6.42449 0.00000 -5.21146 0.00000 0.00000
|
|
98 7S -2.82813 0.00000 -3.95977 0.00000 0.00000
|
|
99 8PX -0.02234 0.00000 0.00052 0.00000 0.00000
|
|
100 8PY 0.00103 0.00000 0.02299 0.00000 0.00000
|
|
101 8PZ 0.00000 -0.00904 0.00000 0.01582 -0.00423
|
|
102 9PX 0.14073 0.00000 0.04114 0.00000 0.00000
|
|
103 9PY -0.00527 0.00000 -0.06949 0.00000 0.00000
|
|
104 9PZ 0.00000 0.07286 0.00000 -0.06636 0.01755
|
|
105 10PX 0.92356 0.00000 0.49776 0.00000 0.00000
|
|
106 10PY -0.13836 0.00000 -0.27541 0.00000 0.00000
|
|
107 10PZ 0.00000 0.43550 0.00000 -0.28889 0.01987
|
|
108 11PX -2.78304 0.00000 -2.27305 0.00000 0.00000
|
|
109 11PY 0.83603 0.00000 0.28589 0.00000 0.00000
|
|
110 11PZ 0.00000 -0.73654 0.00000 0.15881 0.28862
|
|
111 12PX -2.72258 0.00000 -1.49707 0.00000 0.00000
|
|
112 12PY -0.25192 0.00000 -3.51110 0.00000 0.00000
|
|
113 12PZ 0.00000 -1.46179 0.00000 0.84838 -0.42164
|
|
114 13PX -0.24881 0.00000 -0.07979 0.00000 0.00000
|
|
115 13PY -0.33859 0.00000 -0.63476 0.00000 0.00000
|
|
116 13PZ 0.00000 -0.02170 0.00000 0.01490 -0.04290
|
|
117 14D 0 1.16092 0.00000 0.63708 0.00000 0.00000
|
|
118 14D+1 0.00000 -0.44162 0.00000 -0.10154 1.19432
|
|
119 14D-1 0.00000 -0.18491 0.00000 0.86687 -1.04509
|
|
120 14D+2 -0.11724 0.00000 0.92171 0.00000 0.00000
|
|
121 14D-2 1.55984 0.00000 -0.04922 0.00000 0.00000
|
|
122 15D 0 1.08398 0.00000 0.61135 0.00000 0.00000
|
|
123 15D+1 0.00000 -0.90538 0.00000 -0.15852 0.60117
|
|
124 15D-1 0.00000 -0.07369 0.00000 0.68250 -0.71953
|
|
125 15D+2 -0.98579 0.00000 -1.04508 0.00000 0.00000
|
|
126 15D-2 0.98284 0.00000 -0.13822 0.00000 0.00000
|
|
127 16D 0 -0.25782 0.00000 0.05586 0.00000 0.00000
|
|
128 16D+1 0.00000 0.18005 0.00000 0.01693 -0.10048
|
|
129 16D-1 0.00000 0.05788 0.00000 -0.31081 0.27279
|
|
130 16D+2 0.01566 0.00000 0.09514 0.00000 0.00000
|
|
131 16D-2 -0.23756 0.00000 0.04715 0.00000 0.00000
|
|
132 17D 0 -0.02182 0.00000 0.01930 0.00000 0.00000
|
|
133 17D+1 0.00000 0.00305 0.00000 -0.00730 -0.01527
|
|
134 17D-1 0.00000 0.00593 0.00000 -0.03838 0.01408
|
|
135 17D+2 0.03283 0.00000 0.02210 0.00000 0.00000
|
|
136 17D-2 -0.02816 0.00000 0.00047 0.00000 0.00000
|
|
137 18F 0 0.00000 0.35845 0.00000 -0.49169 -0.15538
|
|
138 18F+1 0.20358 0.00000 -0.13602 0.00000 0.00000
|
|
139 18F-1 0.11902 0.00000 -0.11527 0.00000 0.00000
|
|
140 18F+2 0.00000 -0.15058 0.00000 -0.63484 0.77166
|
|
141 18F-2 0.00000 0.62094 0.00000 0.26879 0.47216
|
|
142 18F+3 -0.60022 0.00000 -0.31727 0.00000 0.00000
|
|
143 18F-3 0.84470 0.00000 0.31070 0.00000 0.00000
|
|
144 19F 0 0.00000 0.42823 0.00000 0.44760 0.18297
|
|
145 19F+1 0.16512 0.00000 0.40574 0.00000 0.00000
|
|
146 19F-1 -0.02479 0.00000 0.45785 0.00000 0.00000
|
|
147 19F+2 0.00000 -0.24571 0.00000 0.05280 0.46514
|
|
148 19F-2 0.00000 0.04172 0.00000 -0.52946 -0.65745
|
|
149 19F+3 0.17329 0.00000 -0.33700 0.00000 0.00000
|
|
150 19F-3 0.46098 0.00000 0.19839 0.00000 0.00000
|
|
151 20F 0 0.00000 -0.04137 0.00000 -0.55405 -0.18911
|
|
152 20F+1 0.21470 0.00000 -0.11418 0.00000 0.00000
|
|
153 20F-1 0.09989 0.00000 -0.42337 0.00000 0.00000
|
|
154 20F+2 0.00000 0.02196 0.00000 -0.41225 0.04463
|
|
155 20F-2 0.00000 0.10553 0.00000 0.59306 0.46637
|
|
156 20F+3 -0.55328 0.00000 -0.32131 0.00000 0.00000
|
|
157 20F-3 0.05127 0.00000 -0.17776 0.00000 0.00000
|
|
158 21G 0 -0.23166 0.00000 0.08287 0.00000 0.00000
|
|
159 21G+1 0.00000 0.15282 0.00000 0.06078 -0.13671
|
|
160 21G-1 0.00000 -0.02674 0.00000 -0.28236 0.25477
|
|
161 21G+2 -0.06367 0.00000 0.10225 0.00000 0.00000
|
|
162 21G-2 -0.13369 0.00000 0.00568 0.00000 0.00000
|
|
163 21G+3 0.00000 -0.13358 0.00000 -0.08995 -0.00204
|
|
164 21G-3 0.00000 0.30988 0.00000 -0.22190 0.10473
|
|
165 21G+4 -0.20859 0.00000 -0.47114 0.00000 0.00000
|
|
166 21G-4 0.01506 0.00000 -0.10820 0.00000 0.00000
|
|
167 22G 0 0.05260 0.00000 -0.02571 0.00000 0.00000
|
|
168 22G+1 0.00000 0.10364 0.00000 -0.00006 -0.27116
|
|
169 22G-1 0.00000 -0.08770 0.00000 0.08270 -0.07952
|
|
170 22G+2 0.13002 0.00000 0.00974 0.00000 0.00000
|
|
171 22G-2 -0.10954 0.00000 -0.03793 0.00000 0.00000
|
|
172 22G+3 0.00000 -0.17204 0.00000 -0.02623 0.02590
|
|
173 22G-3 0.00000 0.07892 0.00000 0.08691 -0.08656
|
|
174 22G+4 0.15514 0.00000 -0.03574 0.00000 0.00000
|
|
175 22G-4 0.14127 0.00000 -0.04841 0.00000 0.00000
|
|
176 23H 0 0.00000 -0.11751 0.00000 -0.03755 0.29677
|
|
177 23H+1 -0.00452 0.00000 0.04769 0.00000 0.00000
|
|
178 23H-1 0.14261 0.00000 -0.00376 0.00000 0.00000
|
|
179 23H+2 0.00000 0.12227 0.00000 0.04740 -0.22088
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180 23H-2 0.00000 -0.09532 0.00000 -0.13450 -0.04643
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181 23H+3 0.05626 0.00000 0.10302 0.00000 0.00000
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182 23H-3 0.04403 0.00000 0.03083 0.00000 0.00000
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183 23H+4 0.00000 -0.05569 0.00000 -0.00334 0.03420
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184 23H-4 0.00000 0.17469 0.00000 -0.04672 -0.01761
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185 23H+5 0.13071 0.00000 -0.04265 0.00000 0.00000
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186 23H-5 0.10046 0.00000 -0.05639 0.00000 0.00000
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187 3 H 1S 0.02860 0.00000 0.02173 0.00000 0.00000
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188 2S -0.94051 0.00000 -0.48076 0.00000 0.00000
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189 3S 3.18614 0.00000 2.06045 0.00000 0.00000
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190 4S 5.36324 0.00000 2.40273 0.00000 0.00000
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191 5S -0.09284 0.00000 -0.00336 0.00000 0.00000
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192 6PX -0.04605 0.00000 -0.00898 0.00000 0.00000
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193 6PY 0.00325 0.00000 0.01760 0.00000 0.00000
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194 6PZ 0.00000 -0.00250 0.00000 -0.00139 -0.02035
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195 7PX 0.31973 0.00000 0.07342 0.00000 0.00000
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196 7PY -0.02665 0.00000 -0.11973 0.00000 0.00000
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197 7PZ 0.00000 0.01750 0.00000 0.00904 0.14020
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198 8PX -1.78767 0.00000 -1.30901 0.00000 0.00000
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199 8PY -0.18508 0.00000 0.49751 0.00000 0.00000
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200 8PZ 0.00000 0.55333 0.00000 0.12149 -0.59701
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201 9PX -3.36386 0.00000 -1.72651 0.00000 0.00000
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202 9PY -0.53971 0.00000 0.57365 0.00000 0.00000
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203 9PZ 0.00000 1.16791 0.00000 0.28646 -1.24300
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204 10D 0 -0.11175 0.00000 0.00821 0.00000 0.00000
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205 10D+1 0.00000 -0.11571 0.00000 -0.00716 0.11043
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206 10D-1 0.00000 -0.15305 0.00000 0.04077 0.01183
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207 10D+2 0.02331 0.00000 0.01007 0.00000 0.00000
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208 10D-2 0.06998 0.00000 -0.03379 0.00000 0.00000
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209 11D 0 0.77272 0.00000 -0.01410 0.00000 0.00000
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210 11D+1 0.00000 0.81082 0.00000 0.06576 -0.80061
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211 11D-1 0.00000 0.95199 0.00000 -0.25746 -0.05916
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212 11D+2 -0.29245 0.00000 -0.11104 0.00000 0.00000
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213 11D-2 -0.46865 0.00000 0.26696 0.00000 0.00000
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214 12D 0 -1.28351 0.00000 -0.42092 0.00000 0.00000
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215 12D+1 0.00000 -1.64986 0.00000 -0.30136 1.49851
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216 12D-1 0.00000 -0.79379 0.00000 0.22002 -0.06847
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217 12D+2 1.49332 0.00000 1.07613 0.00000 0.00000
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218 12D-2 0.72094 0.00000 -0.89285 0.00000 0.00000
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219 13F 0 0.00000 0.02992 0.00000 0.01294 -0.02671
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220 13F+1 -0.02757 0.00000 -0.00241 0.00000 0.00000
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221 13F-1 0.00285 0.00000 0.00864 0.00000 0.00000
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222 13F+2 0.00000 -0.04749 0.00000 -0.00772 0.02816
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223 13F-2 0.00000 -0.03292 0.00000 0.00228 0.00172
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224 13F+3 0.00835 0.00000 0.04007 0.00000 0.00000
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225 13F-3 0.02284 0.00000 -0.04399 0.00000 0.00000
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226 14F 0 0.00000 -0.34965 0.00000 -0.13666 0.28795
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227 14F+1 0.32451 0.00000 0.08978 0.00000 0.00000
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|
228 14F-1 -0.02511 0.00000 -0.10315 0.00000 0.00000
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|
229 14F+2 0.00000 0.52059 0.00000 0.06397 -0.36630
|
|
230 14F-2 0.00000 0.29230 0.00000 -0.06257 -0.00776
|
|
231 14F+3 -0.17266 0.00000 -0.45106 0.00000 0.00000
|
|
232 14F-3 -0.24431 0.00000 0.47180 0.00000 0.00000
|
|
233 15G 0 0.00736 0.00000 0.00598 0.00000 0.00000
|
|
234 15G+1 0.00000 0.01621 0.00000 0.00180 -0.01242
|
|
235 15G-1 0.00000 -0.00137 0.00000 -0.00256 0.00155
|
|
236 15G+2 -0.01306 0.00000 -0.00689 0.00000 0.00000
|
|
237 15G-2 -0.00398 0.00000 0.00417 0.00000 0.00000
|
|
238 15G+3 0.00000 -0.01282 0.00000 0.00032 0.01634
|
|
239 15G-3 0.00000 0.00541 0.00000 0.00568 -0.00448
|
|
240 15G+4 0.02038 0.00000 0.00294 0.00000 0.00000
|
|
241 15G-4 0.00711 0.00000 -0.00467 0.00000 0.00000
|
|
242 4 H 1S -0.00195 0.00000 0.00909 0.00000 0.00000
|
|
243 2S 0.11447 0.00000 -0.33551 0.00000 0.00000
|
|
244 3S -1.90107 0.00000 -13.78406 0.00000 0.00000
|
|
245 4S -3.16346 0.00000 -7.53167 0.00000 0.00000
|
|
246 5S 0.08051 0.00000 -0.06894 0.00000 0.00000
|
|
247 6PX -0.01546 0.00000 -0.02318 0.00000 0.00000
|
|
248 6PY 0.00688 0.00000 -0.01012 0.00000 0.00000
|
|
249 6PZ 0.00000 -0.00315 0.00000 0.02173 0.00189
|
|
250 7PX 0.14790 0.00000 0.29976 0.00000 0.00000
|
|
251 7PY -0.03539 0.00000 -0.00579 0.00000 0.00000
|
|
252 7PZ 0.00000 0.05695 0.00000 -0.16733 0.03660
|
|
253 8PX -1.28409 0.00000 -6.76641 0.00000 0.00000
|
|
254 8PY -0.35826 0.00000 2.41882 0.00000 0.00000
|
|
255 8PZ 0.00000 -0.48467 0.00000 0.46722 -0.82417
|
|
256 9PX -1.54111 0.00000 -3.99156 0.00000 0.00000
|
|
257 9PY -0.24496 0.00000 1.34495 0.00000 0.00000
|
|
258 9PZ 0.00000 0.41454 0.00000 -0.30684 -0.31632
|
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259 10D 0 -0.00104 0.00000 -0.06026 0.00000 0.00000
|
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260 10D+1 0.00000 0.02332 0.00000 0.01134 0.04209
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261 10D-1 0.00000 0.01924 0.00000 0.01954 0.05388
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262 10D+2 -0.00394 0.00000 0.01216 0.00000 0.00000
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263 10D-2 -0.00204 0.00000 -0.03579 0.00000 0.00000
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|
264 11D 0 0.00916 0.00000 0.56251 0.00000 0.00000
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|
265 11D+1 0.00000 -0.25841 0.00000 -0.02944 -0.39426
|
|
266 11D-1 0.00000 -0.11387 0.00000 -0.13570 -0.34202
|
|
267 11D+2 0.05410 0.00000 -0.32447 0.00000 0.00000
|
|
268 11D-2 0.02570 0.00000 0.39379 0.00000 0.00000
|
|
269 12D 0 0.37973 0.00000 0.64178 0.00000 0.00000
|
|
270 12D+1 0.00000 0.21739 0.00000 -0.04667 -0.22573
|
|
271 12D-1 0.00000 0.65203 0.00000 0.25687 1.19993
|
|
272 12D+2 -1.02282 0.00000 -1.23890 0.00000 0.00000
|
|
273 12D-2 -0.55646 0.00000 1.71706 0.00000 0.00000
|
|
274 13F 0 0.00000 0.01286 0.00000 0.00145 -0.00476
|
|
275 13F+1 -0.00861 0.00000 0.01370 0.00000 0.00000
|
|
276 13F-1 -0.00406 0.00000 -0.00046 0.00000 0.00000
|
|
277 13F+2 0.00000 -0.03895 0.00000 0.01820 -0.04449
|
|
278 13F-2 0.00000 -0.01444 0.00000 -0.02685 -0.02510
|
|
279 13F+3 0.03814 0.00000 -0.02490 0.00000 0.00000
|
|
280 13F-3 0.01908 0.00000 -0.03102 0.00000 0.00000
|
|
281 14F 0 0.00000 0.01619 0.00000 -0.03469 0.29471
|
|
282 14F+1 0.20356 0.00000 0.20379 0.00000 0.00000
|
|
283 14F-1 0.05581 0.00000 -0.17636 0.00000 0.00000
|
|
284 14F+2 0.00000 0.25712 0.00000 -0.14807 0.26648
|
|
285 14F-2 0.00000 0.25354 0.00000 0.22540 0.52897
|
|
286 14F+3 -0.56778 0.00000 0.11024 0.00000 0.00000
|
|
287 14F-3 -0.24825 0.00000 0.83271 0.00000 0.00000
|
|
288 15G 0 -0.00675 0.00000 -0.00537 0.00000 0.00000
|
|
289 15G+1 0.00000 0.00056 0.00000 0.00266 0.00791
|
|
290 15G-1 0.00000 -0.00168 0.00000 -0.00489 -0.00804
|
|
291 15G+2 0.01019 0.00000 0.00282 0.00000 0.00000
|
|
292 15G-2 0.00228 0.00000 -0.01213 0.00000 0.00000
|
|
293 15G+3 0.00000 0.00112 0.00000 -0.00504 0.00692
|
|
294 15G-3 0.00000 0.00742 0.00000 0.00208 0.02370
|
|
295 15G+4 -0.01902 0.00000 0.01042 0.00000 0.00000
|
|
296 15G-4 0.00098 0.00000 0.02321 0.00000 0.00000
|
|
297 5 H 1S -0.00011 0.00970 0.03092 -0.00311 -0.00214
|
|
298 2S -0.00312 -0.46907 -0.67376 0.11453 -0.19153
|
|
299 3S -1.83674 3.09420 -0.82043 -1.00604 -1.31581
|
|
300 4S -2.32133 2.94041 -0.12121 0.08556 -1.13003
|
|
301 5S -0.14635 -0.19423 0.16730 -0.43549 -0.15039
|
|
302 6PX 0.00286 -0.00361 -0.00298 -0.01969 0.00264
|
|
303 6PY 0.00098 -0.01111 -0.00171 -0.01064 -0.00343
|
|
304 6PZ -0.00736 -0.00590 0.00336 -0.01737 0.00856
|
|
305 7PX -0.04331 0.02824 -0.01348 0.13588 -0.04946
|
|
306 7PY 0.01295 0.08770 0.00947 0.09187 -0.00655
|
|
307 7PZ 0.00832 0.07909 -0.03406 0.09463 -0.05067
|
|
308 8PX 0.65533 -0.46773 0.61946 -0.20834 0.93978
|
|
309 8PY -0.44413 -0.49073 -0.07765 -0.20621 0.90989
|
|
310 8PZ 0.96976 -1.19173 -0.21193 0.27419 0.61311
|
|
311 9PX 0.59410 -0.70030 0.43738 -0.07062 0.55514
|
|
312 9PY -0.20008 0.36260 0.03581 0.04091 1.69883
|
|
313 9PZ 1.02882 -1.12905 -1.01786 -0.13195 0.56637
|
|
314 10D 0 0.02989 -0.01653 -0.00248 0.03550 -0.01694
|
|
315 10D+1 0.02309 0.02275 0.00162 0.03506 0.02731
|
|
316 10D-1 -0.01052 0.01128 0.01799 -0.00666 0.00681
|
|
317 10D+2 -0.00008 0.00146 0.05066 0.01798 0.00300
|
|
318 10D-2 0.00516 -0.05426 -0.00373 0.00967 -0.03363
|
|
319 11D 0 -0.21604 0.12527 -0.05949 -0.29676 0.15933
|
|
320 11D+1 -0.16760 -0.13636 -0.14289 -0.27590 -0.20595
|
|
321 11D-1 0.07635 -0.02498 -0.17151 0.05337 -0.00866
|
|
322 11D+2 -0.00279 -0.03794 -0.35668 -0.13962 -0.06291
|
|
323 11D-2 -0.02478 0.37353 -0.02067 -0.05140 0.22150
|
|
324 12D 0 -0.56228 0.39410 0.92211 0.01440 0.27005
|
|
325 12D+1 -0.46754 0.33433 0.18265 0.56597 -0.44994
|
|
326 12D-1 0.08200 0.16941 0.49330 -0.17104 -0.97871
|
|
327 12D+2 -0.57448 0.38864 -0.22505 -0.25539 0.63679
|
|
328 12D-2 0.22618 -0.79385 -0.13720 -0.12058 -1.17466
|
|
329 13F 0 -0.00823 -0.00348 0.01758 0.00602 0.00714
|
|
330 13F+1 -0.00584 0.00280 0.03193 0.03309 -0.00281
|
|
331 13F-1 -0.02839 0.00492 -0.00143 -0.02747 -0.01544
|
|
332 13F+2 -0.01462 0.01456 -0.01570 0.01244 0.02925
|
|
333 13F-2 -0.00441 -0.04101 0.00999 -0.01366 -0.03404
|
|
334 13F+3 -0.01517 0.03073 -0.00969 0.00071 0.02995
|
|
335 13F-3 -0.01439 -0.00891 -0.01027 -0.04072 0.01153
|
|
336 14F 0 0.23919 -0.05942 -0.30381 0.09046 -0.33995
|
|
337 14F+1 0.23890 -0.09923 -0.25615 -0.32780 0.03540
|
|
338 14F-1 0.26820 -0.21464 -0.07271 0.32095 0.17596
|
|
339 14F+2 0.31167 -0.12664 0.29009 -0.01805 -0.33496
|
|
340 14F-2 0.00642 0.43976 -0.03077 0.08733 0.56923
|
|
341 14F+3 0.23937 -0.36512 0.13095 0.07965 -0.42197
|
|
342 14F-3 0.15985 0.14434 0.16029 0.43491 -0.03636
|
|
343 15G 0 -0.00531 0.00005 0.00633 -0.00501 0.01307
|
|
344 15G+1 -0.00924 0.00623 0.00688 0.00871 0.00647
|
|
345 15G-1 -0.00856 0.01216 0.01077 -0.00572 0.00441
|
|
346 15G+2 -0.00995 0.00126 -0.00307 0.00393 0.00983
|
|
347 15G-2 -0.00106 -0.00209 0.00616 0.00332 -0.01551
|
|
348 15G+3 -0.00746 0.01178 0.00081 -0.00594 0.01764
|
|
349 15G-3 -0.00474 -0.00920 -0.00169 -0.00456 -0.00898
|
|
350 15G+4 -0.00089 0.00971 0.00036 -0.00222 0.01011
|
|
351 15G-4 -0.00463 -0.00083 -0.00339 -0.00326 0.00033
|
|
352 6 H 1S -0.00011 -0.00970 0.03092 0.00311 0.00214
|
|
353 2S -0.00312 0.46907 -0.67376 -0.11453 0.19153
|
|
354 3S -1.83674 -3.09420 -0.82043 1.00604 1.31581
|
|
355 4S -2.32133 -2.94041 -0.12121 -0.08556 1.13003
|
|
356 5S -0.14635 0.19423 0.16730 0.43549 0.15039
|
|
357 6PX 0.00286 0.00361 -0.00298 0.01969 -0.00264
|
|
358 6PY 0.00098 0.01111 -0.00171 0.01064 0.00343
|
|
359 6PZ 0.00736 -0.00590 -0.00336 -0.01737 0.00856
|
|
360 7PX -0.04331 -0.02824 -0.01348 -0.13588 0.04946
|
|
361 7PY 0.01295 -0.08770 0.00947 -0.09187 0.00655
|
|
362 7PZ -0.00832 0.07909 0.03406 0.09463 -0.05067
|
|
363 8PX 0.65533 0.46773 0.61946 0.20834 -0.93978
|
|
364 8PY -0.44413 0.49073 -0.07765 0.20621 -0.90989
|
|
365 8PZ -0.96976 -1.19173 0.21193 0.27419 0.61311
|
|
366 9PX 0.59410 0.70030 0.43738 0.07062 -0.55514
|
|
367 9PY -0.20008 -0.36260 0.03581 -0.04091 -1.69883
|
|
368 9PZ -1.02882 -1.12905 1.01786 -0.13195 0.56637
|
|
369 10D 0 0.02989 0.01653 -0.00248 -0.03550 0.01694
|
|
370 10D+1 -0.02309 0.02275 -0.00162 0.03506 0.02731
|
|
371 10D-1 0.01052 0.01128 -0.01799 -0.00666 0.00681
|
|
372 10D+2 -0.00008 -0.00146 0.05066 -0.01798 -0.00300
|
|
373 10D-2 0.00516 0.05426 -0.00373 -0.00967 0.03363
|
|
374 11D 0 -0.21604 -0.12527 -0.05949 0.29676 -0.15933
|
|
375 11D+1 0.16760 -0.13636 0.14289 -0.27590 -0.20595
|
|
376 11D-1 -0.07635 -0.02498 0.17151 0.05337 -0.00866
|
|
377 11D+2 -0.00279 0.03794 -0.35668 0.13962 0.06291
|
|
378 11D-2 -0.02478 -0.37353 -0.02067 0.05140 -0.22150
|
|
379 12D 0 -0.56228 -0.39410 0.92211 -0.01440 -0.27005
|
|
380 12D+1 0.46754 0.33433 -0.18265 0.56597 -0.44994
|
|
381 12D-1 -0.08200 0.16941 -0.49330 -0.17104 -0.97871
|
|
382 12D+2 -0.57448 -0.38864 -0.22505 0.25539 -0.63679
|
|
383 12D-2 0.22618 0.79385 -0.13720 0.12058 1.17466
|
|
384 13F 0 0.00823 -0.00348 -0.01758 0.00602 0.00714
|
|
385 13F+1 -0.00584 -0.00280 0.03193 -0.03309 0.00281
|
|
386 13F-1 -0.02839 -0.00492 -0.00143 0.02747 0.01544
|
|
387 13F+2 0.01462 0.01456 0.01570 0.01244 0.02925
|
|
388 13F-2 0.00441 -0.04101 -0.00999 -0.01366 -0.03404
|
|
389 13F+3 -0.01517 -0.03073 -0.00969 -0.00071 -0.02995
|
|
390 13F-3 -0.01439 0.00891 -0.01027 0.04072 -0.01153
|
|
391 14F 0 -0.23919 -0.05942 0.30381 0.09046 -0.33995
|
|
392 14F+1 0.23890 0.09923 -0.25615 0.32780 -0.03540
|
|
393 14F-1 0.26820 0.21464 -0.07271 -0.32095 -0.17596
|
|
394 14F+2 -0.31167 -0.12664 -0.29009 -0.01805 -0.33496
|
|
395 14F-2 -0.00642 0.43976 0.03077 0.08733 0.56923
|
|
396 14F+3 0.23937 0.36512 0.13095 -0.07965 0.42197
|
|
397 14F-3 0.15985 -0.14434 0.16029 -0.43491 0.03636
|
|
398 15G 0 -0.00531 -0.00005 0.00633 0.00501 -0.01307
|
|
399 15G+1 0.00924 0.00623 -0.00688 0.00871 0.00647
|
|
400 15G-1 0.00856 0.01216 -0.01077 -0.00572 0.00441
|
|
401 15G+2 -0.00995 -0.00126 -0.00307 -0.00393 -0.00983
|
|
402 15G-2 -0.00106 0.00209 0.00616 -0.00332 0.01551
|
|
403 15G+3 0.00746 0.01178 -0.00081 -0.00594 0.01764
|
|
404 15G-3 0.00474 -0.00920 0.00169 -0.00456 -0.00898
|
|
405 15G+4 -0.00089 -0.00971 0.00036 0.00222 -0.01011
|
|
406 15G-4 -0.00463 0.00083 -0.00339 0.00326 -0.00033
|
|
191 192 193 194 195
|
|
V V V V V
|
|
Eigenvalues -- 5.18685 5.21713 5.22278 5.26670 5.28668
|
|
1 1 C 1S -0.00502 0.00000 0.00457 -0.00529 -0.01219
|
|
2 2S -0.02367 0.00000 0.01619 0.06077 0.09729
|
|
3 3S -0.22726 0.00000 0.12427 0.47147 0.43561
|
|
4 4S -0.12282 0.00000 0.59094 -4.93263 -2.76730
|
|
5 5S 6.98790 0.00000 -5.04976 8.40434 5.69002
|
|
6 6S 3.34676 0.00000 -1.39002 -0.01714 1.59506
|
|
7 7PX -0.06138 0.00000 0.03583 0.05329 -0.00157
|
|
8 7PY 0.03107 0.00000 -0.01395 -0.04645 -0.07706
|
|
9 7PZ 0.00000 -0.03248 0.00000 0.00000 0.00000
|
|
10 8PX -0.13540 0.00000 0.23005 -0.00806 -0.37561
|
|
11 8PY 0.05791 0.00000 0.19135 -0.60805 -0.25591
|
|
12 8PZ 0.00000 -0.88057 0.00000 0.00000 0.00000
|
|
13 9PX -0.99561 0.00000 -0.25244 1.38899 4.53564
|
|
14 9PY 1.34431 0.00000 -3.04207 2.63603 -1.12171
|
|
15 9PZ 0.00000 12.23767 0.00000 0.00000 0.00000
|
|
16 10PX -0.36429 0.00000 -2.29530 1.09816 3.02022
|
|
17 10PY 0.93198 0.00000 -1.83844 0.72712 -1.06182
|
|
18 10PZ 0.00000 4.49891 0.00000 0.00000 0.00000
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276 13F-1 -0.01946 0.00000 -0.01846 -0.01651 0.01826
|
|
277 13F+2 0.00000 0.02701 0.00000 0.00000 0.00000
|
|
278 13F-2 0.00000 0.01020 0.00000 0.00000 0.00000
|
|
279 13F+3 0.00360 0.00000 -0.00331 0.01565 -0.04725
|
|
280 13F-3 -0.04099 0.00000 0.02087 0.05137 -0.02590
|
|
281 14F 0 0.00000 0.34643 0.00000 0.00000 0.00000
|
|
282 14F+1 -0.18478 0.00000 -0.22422 -0.23562 -0.30015
|
|
283 14F-1 0.22237 0.00000 0.12380 0.17787 -0.17652
|
|
284 14F+2 0.00000 -0.41147 0.00000 0.00000 0.00000
|
|
285 14F-2 0.00000 -0.04390 0.00000 0.00000 0.00000
|
|
286 14F+3 -0.26703 0.00000 0.16017 -0.18256 0.65327
|
|
287 14F-3 0.42912 0.00000 -0.00958 -0.56409 0.27287
|
|
288 15G 0 0.00559 0.00000 0.00328 0.00323 0.00470
|
|
289 15G+1 0.00000 0.00825 0.00000 0.00000 0.00000
|
|
290 15G-1 0.00000 -0.00157 0.00000 0.00000 0.00000
|
|
291 15G+2 -0.00350 0.00000 -0.00778 -0.00315 -0.00621
|
|
292 15G-2 0.00363 0.00000 -0.00337 0.00513 -0.00147
|
|
293 15G+3 0.00000 -0.00268 0.00000 0.00000 0.00000
|
|
294 15G-3 0.00000 0.00835 0.00000 0.00000 0.00000
|
|
295 15G+4 -0.00727 0.00000 0.00802 -0.00600 0.02201
|
|
296 15G-4 0.00386 0.00000 0.00338 -0.01095 0.00587
|
|
297 5 H 1S -0.00087 -0.01773 0.00091 0.01857 0.00788
|
|
298 2S 0.02539 0.30671 -0.18057 -0.34954 0.00358
|
|
299 3S -0.43350 -7.78830 2.57417 -3.44549 -3.25472
|
|
300 4S -1.79081 -4.64411 1.67921 0.00765 -2.60527
|
|
301 5S 0.09427 0.00967 0.04289 0.03725 0.20632
|
|
302 6PX -0.00550 0.01081 0.00192 0.00537 -0.00125
|
|
303 6PY 0.00509 0.00668 0.00517 -0.01821 -0.00227
|
|
304 6PZ 0.01832 0.01571 -0.00702 -0.01175 0.00053
|
|
305 7PX 0.03841 -0.10090 0.03691 -0.02650 -0.00218
|
|
306 7PY -0.03559 -0.10936 -0.05491 0.11921 -0.02084
|
|
307 7PZ -0.14337 -0.17592 0.05891 0.06564 -0.01002
|
|
308 8PX -0.01515 1.68848 -1.23321 0.31793 0.35113
|
|
309 8PY -0.08658 2.17496 0.46572 0.17640 1.17883
|
|
310 8PZ 0.56082 3.52913 -0.74562 0.98905 0.96136
|
|
311 9PX 0.40491 1.49445 -0.79736 -0.16188 -0.15513
|
|
312 9PY 0.02338 1.23526 0.70243 -0.42918 0.63000
|
|
313 9PZ 0.82379 2.45431 -0.48356 -0.11540 0.85130
|
|
314 10D 0 -0.01543 0.00894 0.01644 0.01693 -0.02180
|
|
315 10D+1 -0.00479 0.00975 0.00865 0.00097 0.00864
|
|
316 10D-1 -0.00365 0.00609 -0.03240 0.03363 0.03096
|
|
317 10D+2 -0.00268 -0.04289 -0.05360 -0.01658 0.00767
|
|
318 10D-2 0.00390 0.02465 -0.00601 0.00391 -0.00779
|
|
319 11D 0 0.11373 -0.09725 -0.14291 -0.22116 0.11263
|
|
320 11D+1 0.06038 -0.10582 0.00583 -0.10598 -0.17340
|
|
321 11D-1 0.02305 -0.11964 0.23663 -0.32519 -0.29612
|
|
322 11D+2 0.03815 0.30059 0.36307 0.11247 -0.08075
|
|
323 11D-2 -0.02000 -0.19752 0.06571 -0.07787 -0.00261
|
|
324 12D 0 -0.38643 -0.62626 0.33012 0.07928 -0.15475
|
|
325 12D+1 -0.42283 -0.93999 0.83553 0.39228 0.49891
|
|
326 12D-1 0.15436 -1.36869 -1.23670 0.38690 -0.10594
|
|
327 12D+2 -0.04923 0.08357 0.33733 -0.11815 0.67030
|
|
328 12D-2 0.08335 -0.56507 0.05802 0.42871 -0.55644
|
|
329 13F 0 -0.00395 0.01582 0.02910 0.00317 -0.02374
|
|
330 13F+1 -0.01750 -0.00690 0.00569 0.01690 0.01426
|
|
331 13F-1 0.01945 -0.00183 -0.02435 0.00640 0.02689
|
|
332 13F+2 -0.01007 -0.00253 0.01393 0.00457 0.03305
|
|
333 13F-2 -0.00082 0.00354 -0.01020 0.01944 0.00943
|
|
334 13F+3 -0.00939 0.00922 -0.00895 -0.00719 0.01686
|
|
335 13F-3 0.00443 0.00992 0.00453 -0.00600 0.00899
|
|
336 14F 0 0.05385 -0.19522 -0.25038 0.06699 0.15895
|
|
337 14F+1 0.24853 0.17968 -0.23468 -0.15107 -0.16527
|
|
338 14F-1 -0.18007 0.32617 0.42961 -0.00409 -0.22164
|
|
339 14F+2 0.10766 -0.15183 -0.43015 -0.08529 -0.42385
|
|
340 14F-2 -0.01344 0.23788 0.05621 -0.22222 0.08290
|
|
341 14F+3 0.10056 -0.21461 0.05748 0.07319 -0.29332
|
|
342 14F-3 -0.07766 -0.06926 -0.13880 0.01958 -0.05343
|
|
343 15G 0 0.00455 0.00539 0.00437 -0.00781 -0.00426
|
|
344 15G+1 -0.00805 -0.00011 0.00792 0.00510 0.00509
|
|
345 15G-1 -0.00094 -0.00747 -0.01256 0.00195 0.01008
|
|
346 15G+2 -0.00491 0.00951 0.01937 0.00189 0.00692
|
|
347 15G-2 -0.00070 -0.01680 -0.00347 0.00740 -0.00040
|
|
348 15G+3 -0.00313 0.00997 0.00755 -0.00358 0.01115
|
|
349 15G-3 -0.00138 -0.00239 0.00583 0.00667 -0.00033
|
|
350 15G+4 -0.00258 0.00199 -0.00052 -0.00154 0.00279
|
|
351 15G-4 0.00073 0.00007 0.00399 0.00196 0.00501
|
|
352 6 H 1S -0.00087 0.01773 0.00091 0.01857 0.00788
|
|
353 2S 0.02539 -0.30671 -0.18057 -0.34954 0.00358
|
|
354 3S -0.43350 7.78830 2.57417 -3.44549 -3.25472
|
|
355 4S -1.79081 4.64411 1.67921 0.00765 -2.60527
|
|
356 5S 0.09427 -0.00967 0.04289 0.03725 0.20632
|
|
357 6PX -0.00550 -0.01081 0.00192 0.00537 -0.00125
|
|
358 6PY 0.00509 -0.00668 0.00517 -0.01821 -0.00227
|
|
359 6PZ -0.01832 0.01571 0.00702 0.01175 -0.00053
|
|
360 7PX 0.03841 0.10090 0.03691 -0.02650 -0.00218
|
|
361 7PY -0.03559 0.10936 -0.05491 0.11921 -0.02084
|
|
362 7PZ 0.14337 -0.17592 -0.05891 -0.06564 0.01002
|
|
363 8PX -0.01515 -1.68848 -1.23321 0.31793 0.35113
|
|
364 8PY -0.08658 -2.17496 0.46572 0.17640 1.17883
|
|
365 8PZ -0.56082 3.52913 0.74562 -0.98905 -0.96136
|
|
366 9PX 0.40491 -1.49445 -0.79736 -0.16188 -0.15513
|
|
367 9PY 0.02338 -1.23526 0.70243 -0.42918 0.63000
|
|
368 9PZ -0.82379 2.45431 0.48356 0.11540 -0.85130
|
|
369 10D 0 -0.01543 -0.00894 0.01644 0.01693 -0.02180
|
|
370 10D+1 0.00479 0.00975 -0.00865 -0.00097 -0.00864
|
|
371 10D-1 0.00365 0.00609 0.03240 -0.03363 -0.03096
|
|
372 10D+2 -0.00268 0.04289 -0.05360 -0.01658 0.00767
|
|
373 10D-2 0.00390 -0.02465 -0.00601 0.00391 -0.00779
|
|
374 11D 0 0.11373 0.09725 -0.14291 -0.22116 0.11263
|
|
375 11D+1 -0.06038 -0.10582 -0.00583 0.10598 0.17340
|
|
376 11D-1 -0.02305 -0.11964 -0.23663 0.32519 0.29612
|
|
377 11D+2 0.03815 -0.30059 0.36307 0.11247 -0.08075
|
|
378 11D-2 -0.02000 0.19752 0.06571 -0.07787 -0.00261
|
|
379 12D 0 -0.38643 0.62626 0.33012 0.07928 -0.15475
|
|
380 12D+1 0.42283 -0.93999 -0.83553 -0.39228 -0.49891
|
|
381 12D-1 -0.15436 -1.36869 1.23670 -0.38690 0.10594
|
|
382 12D+2 -0.04923 -0.08357 0.33733 -0.11815 0.67030
|
|
383 12D-2 0.08335 0.56507 0.05802 0.42871 -0.55644
|
|
384 13F 0 0.00395 0.01582 -0.02910 -0.00317 0.02374
|
|
385 13F+1 -0.01750 0.00690 0.00569 0.01690 0.01426
|
|
386 13F-1 0.01945 0.00183 -0.02435 0.00640 0.02689
|
|
387 13F+2 0.01007 -0.00253 -0.01393 -0.00457 -0.03305
|
|
388 13F-2 0.00082 0.00354 0.01020 -0.01944 -0.00943
|
|
389 13F+3 -0.00939 -0.00922 -0.00895 -0.00719 0.01686
|
|
390 13F-3 0.00443 -0.00992 0.00453 -0.00600 0.00899
|
|
391 14F 0 -0.05385 -0.19522 0.25038 -0.06699 -0.15895
|
|
392 14F+1 0.24853 -0.17968 -0.23468 -0.15107 -0.16527
|
|
393 14F-1 -0.18007 -0.32617 0.42961 -0.00409 -0.22164
|
|
394 14F+2 -0.10766 -0.15183 0.43015 0.08529 0.42385
|
|
395 14F-2 0.01344 0.23788 -0.05621 0.22222 -0.08290
|
|
396 14F+3 0.10056 0.21461 0.05748 0.07319 -0.29332
|
|
397 14F-3 -0.07766 0.06926 -0.13880 0.01958 -0.05343
|
|
398 15G 0 0.00455 -0.00539 0.00437 -0.00781 -0.00426
|
|
399 15G+1 0.00805 -0.00011 -0.00792 -0.00510 -0.00509
|
|
400 15G-1 0.00094 -0.00747 0.01256 -0.00195 -0.01008
|
|
401 15G+2 -0.00491 -0.00951 0.01937 0.00189 0.00692
|
|
402 15G-2 -0.00070 0.01680 -0.00347 0.00740 -0.00040
|
|
403 15G+3 0.00313 0.00997 -0.00755 0.00358 -0.01115
|
|
404 15G-3 0.00138 -0.00239 -0.00583 -0.00667 0.00033
|
|
405 15G+4 -0.00258 -0.00199 -0.00052 -0.00154 0.00279
|
|
406 15G-4 0.00073 -0.00007 0.00399 0.00196 0.00501
|
|
196 197 198 199 200
|
|
V V V V V
|
|
Eigenvalues -- 5.29140 5.35043 5.36005 5.43152 5.44849
|
|
1 1 C 1S 0.00000 -0.00537 0.00000 -0.00848 0.00000
|
|
2 2S 0.00000 -0.05208 0.00000 0.09680 0.00000
|
|
3 3S 0.00000 -0.43723 0.00000 0.64990 0.00000
|
|
4 4S 0.00000 0.80293 0.00000 -6.08535 0.00000
|
|
5 5S 0.00000 6.35144 0.00000 11.43636 0.00000
|
|
6 6S 0.00000 1.38422 0.00000 0.79324 0.00000
|
|
7 7PX 0.00000 -0.00632 0.00000 -0.04882 0.00000
|
|
8 7PY 0.00000 0.02887 0.00000 -0.06975 0.00000
|
|
9 7PZ 0.06039 0.00000 0.05074 0.00000 0.07051
|
|
10 8PX 0.00000 0.08148 0.00000 -0.66688 0.00000
|
|
11 8PY 0.00000 -0.03635 0.00000 -0.64477 0.00000
|
|
12 8PZ -0.27560 0.00000 -0.18817 0.00000 -0.19915
|
|
13 9PX 0.00000 -1.03746 0.00000 5.07747 0.00000
|
|
14 9PY 0.00000 1.19105 0.00000 1.83665 0.00000
|
|
15 9PZ 3.76635 0.00000 3.24537 0.00000 2.60952
|
|
16 10PX 0.00000 0.53505 0.00000 1.13725 0.00000
|
|
17 10PY 0.00000 1.21461 0.00000 2.55081 0.00000
|
|
18 10PZ 3.20264 0.00000 0.20221 0.00000 1.24872
|
|
19 11PX 0.00000 0.07637 0.00000 0.02018 0.00000
|
|
20 11PY 0.00000 0.20688 0.00000 -0.03579 0.00000
|
|
21 11PZ 0.21015 0.00000 0.23915 0.00000 0.06375
|
|
22 12D 0 0.00000 -0.00071 0.00000 -0.00666 0.00000
|
|
23 12D+1 0.01608 0.00000 -0.01064 0.00000 0.00764
|
|
24 12D-1 -0.00578 0.00000 0.00792 0.00000 -0.00077
|
|
25 12D+2 0.00000 -0.01971 0.00000 0.02865 0.00000
|
|
26 12D-2 0.00000 -0.01523 0.00000 0.03413 0.00000
|
|
27 13D 0 0.00000 -0.04810 0.00000 0.05785 0.00000
|
|
28 13D+1 -0.36570 0.00000 0.05198 0.00000 -0.20994
|
|
29 13D-1 -0.27662 0.00000 -0.19271 0.00000 -0.17607
|
|
30 13D+2 0.00000 0.16961 0.00000 -0.48275 0.00000
|
|
31 13D-2 0.00000 0.23642 0.00000 -0.35297 0.00000
|
|
32 14D 0 0.00000 0.56752 0.00000 3.04867 0.00000
|
|
33 14D+1 0.17265 0.00000 0.65713 0.00000 0.68846
|
|
34 14D-1 2.29030 0.00000 0.69007 0.00000 0.98651
|
|
35 14D+2 0.00000 0.60349 0.00000 0.73420 0.00000
|
|
36 14D-2 0.00000 -0.20228 0.00000 1.24386 0.00000
|
|
37 15D 0 0.00000 0.18855 0.00000 0.56843 0.00000
|
|
38 15D+1 -0.18045 0.00000 -0.07908 0.00000 0.44703
|
|
39 15D-1 2.04526 0.00000 -0.01409 0.00000 0.51183
|
|
40 15D+2 0.00000 0.83993 0.00000 0.94834 0.00000
|
|
41 15D-2 0.00000 -0.15349 0.00000 -0.74128 0.00000
|
|
42 16F 0 -0.01123 0.00000 -0.02182 0.00000 -0.01021
|
|
43 16F+1 0.00000 0.03242 0.00000 -0.07603 0.00000
|
|
44 16F-1 0.00000 -0.00513 0.00000 -0.05881 0.00000
|
|
45 16F+2 0.00493 0.00000 -0.01521 0.00000 -0.01702
|
|
46 16F-2 0.04141 0.00000 0.00055 0.00000 0.01394
|
|
47 16F+3 0.00000 -0.00096 0.00000 0.00338 0.00000
|
|
48 16F-3 0.00000 -0.01780 0.00000 -0.01729 0.00000
|
|
49 17F 0 0.10157 0.00000 0.27939 0.00000 0.03424
|
|
50 17F+1 0.00000 0.18215 0.00000 0.59334 0.00000
|
|
51 17F-1 0.00000 0.35131 0.00000 0.52816 0.00000
|
|
52 17F+2 -0.15005 0.00000 0.17235 0.00000 0.15788
|
|
53 17F-2 -0.36195 0.00000 -0.09329 0.00000 -0.27378
|
|
54 17F+3 0.00000 -0.11280 0.00000 0.19445 0.00000
|
|
55 17F-3 0.00000 0.38227 0.00000 0.06303 0.00000
|
|
56 18F 0 0.49340 0.00000 0.24801 0.00000 0.18580
|
|
57 18F+1 0.00000 -0.41775 0.00000 0.27425 0.00000
|
|
58 18F-1 0.00000 -0.01623 0.00000 1.38512 0.00000
|
|
59 18F+2 0.43781 0.00000 0.41215 0.00000 0.09430
|
|
60 18F-2 0.18028 0.00000 1.04161 0.00000 1.08035
|
|
61 18F+3 0.00000 -0.41443 0.00000 -0.21142 0.00000
|
|
62 18F-3 0.00000 0.99343 0.00000 0.56520 0.00000
|
|
63 19G 0 0.00000 -0.00603 0.00000 0.01620 0.00000
|
|
64 19G+1 0.02124 0.00000 0.03606 0.00000 0.04279
|
|
65 19G-1 0.02897 0.00000 0.01962 0.00000 0.02426
|
|
66 19G+2 0.00000 -0.01500 0.00000 0.00083 0.00000
|
|
67 19G-2 0.00000 -0.00851 0.00000 0.01275 0.00000
|
|
68 19G+3 -0.02625 0.00000 0.01350 0.00000 0.00104
|
|
69 19G-3 0.01661 0.00000 0.01232 0.00000 0.02722
|
|
70 19G+4 0.00000 0.00156 0.00000 -0.02074 0.00000
|
|
71 19G-4 0.00000 0.01028 0.00000 -0.03242 0.00000
|
|
72 20G 0 0.00000 0.22941 0.00000 -0.16515 0.00000
|
|
73 20G+1 0.49637 0.00000 0.08971 0.00000 0.13611
|
|
74 20G-1 0.07939 0.00000 0.08843 0.00000 -0.01334
|
|
75 20G+2 0.00000 0.02682 0.00000 0.32431 0.00000
|
|
76 20G-2 0.00000 0.34058 0.00000 0.26772 0.00000
|
|
77 20G+3 0.15117 0.00000 -0.22151 0.00000 -0.12202
|
|
78 20G-3 -0.09606 0.00000 -0.05741 0.00000 -0.18230
|
|
79 20G+4 0.00000 0.04228 0.00000 0.15683 0.00000
|
|
80 20G-4 0.00000 -0.29466 0.00000 0.42549 0.00000
|
|
81 21H 0 -0.05416 0.00000 0.01674 0.00000 -0.00715
|
|
82 21H+1 0.00000 0.02323 0.00000 -0.01110 0.00000
|
|
83 21H-1 0.00000 0.04662 0.00000 0.03161 0.00000
|
|
84 21H+2 -0.02252 0.00000 -0.02724 0.00000 -0.00468
|
|
85 21H-2 0.07366 0.00000 0.01516 0.00000 0.02806
|
|
86 21H+3 0.00000 -0.02012 0.00000 0.04303 0.00000
|
|
87 21H-3 0.00000 0.02270 0.00000 0.06418 0.00000
|
|
88 21H+4 -0.03762 0.00000 0.02480 0.00000 0.00266
|
|
89 21H-4 -0.01297 0.00000 0.00295 0.00000 -0.00856
|
|
90 21H+5 0.00000 -0.01217 0.00000 -0.01378 0.00000
|
|
91 21H-5 0.00000 0.03513 0.00000 0.03861 0.00000
|
|
92 2 S 1S 0.00000 -0.01021 0.00000 0.02100 0.00000
|
|
93 2S 0.00000 0.00998 0.00000 -0.00776 0.00000
|
|
94 3S 0.00000 -0.10103 0.00000 0.23862 0.00000
|
|
95 4S 0.00000 -0.09244 0.00000 0.47558 0.00000
|
|
96 5S 0.00000 -0.40885 0.00000 -1.27163 0.00000
|
|
97 6S 0.00000 1.85576 0.00000 3.09280 0.00000
|
|
98 7S 0.00000 0.55748 0.00000 0.33150 0.00000
|
|
99 8PX 0.00000 0.00439 0.00000 -0.00260 0.00000
|
|
100 8PY 0.00000 0.01711 0.00000 0.00621 0.00000
|
|
101 8PZ 0.00754 0.00000 0.00711 0.00000 0.00420
|
|
102 9PX 0.00000 -0.01365 0.00000 -0.02728 0.00000
|
|
103 9PY 0.00000 -0.09103 0.00000 -0.04335 0.00000
|
|
104 9PZ -0.04478 0.00000 -0.02278 0.00000 -0.03634
|
|
105 10PX 0.00000 -0.05121 0.00000 -0.33172 0.00000
|
|
106 10PY 0.00000 -0.51005 0.00000 -0.20380 0.00000
|
|
107 10PZ -0.23725 0.00000 -0.09325 0.00000 -0.21509
|
|
108 11PX 0.00000 0.22024 0.00000 1.20831 0.00000
|
|
109 11PY 0.00000 0.79404 0.00000 -0.00769 0.00000
|
|
110 11PZ 0.27599 0.00000 0.06596 0.00000 0.39727
|
|
111 12PX 0.00000 0.87853 0.00000 0.67678 0.00000
|
|
112 12PY 0.00000 0.22152 0.00000 0.88748 0.00000
|
|
113 12PZ 0.95956 0.00000 -0.06602 0.00000 0.00948
|
|
114 13PX 0.00000 0.14002 0.00000 0.08570 0.00000
|
|
115 13PY 0.00000 -0.03243 0.00000 -0.01738 0.00000
|
|
116 13PZ -0.04846 0.00000 -0.12512 0.00000 0.07177
|
|
117 14D 0 0.00000 -0.02410 0.00000 -0.17727 0.00000
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|
372 10D+2 0.03370 -0.02784 0.03012 -0.07228 0.03250
|
|
373 10D-2 -0.01124 -0.04776 0.02178 0.02353 0.01247
|
|
374 11D 0 0.09085 0.10034 0.00549 -0.16322 0.02080
|
|
375 11D+1 -0.30376 0.36965 -0.33194 0.25407 -0.33274
|
|
376 11D-1 -0.23383 -0.02288 -0.08321 -0.00704 -0.20171
|
|
377 11D+2 -0.22820 0.17868 -0.17190 0.51592 -0.20633
|
|
378 11D-2 0.11915 0.29854 -0.13833 -0.20825 -0.05952
|
|
379 12D 0 -0.52450 -0.32430 -0.04116 0.34823 -0.10505
|
|
380 12D+1 -0.33337 -0.19882 0.00058 -0.50150 0.07616
|
|
381 12D-1 0.17253 0.08773 -0.28325 0.41314 0.07245
|
|
382 12D+2 0.48776 -0.45168 0.19514 -0.72926 0.12011
|
|
383 12D-2 -0.00062 -0.61895 0.58032 0.09458 0.22511
|
|
384 13F 0 0.02660 0.02108 0.01233 -0.02564 0.01685
|
|
385 13F+1 0.01373 0.01314 -0.01213 0.04536 -0.00070
|
|
386 13F-1 -0.00086 -0.00310 0.01046 0.01943 0.00215
|
|
387 13F+2 -0.00930 0.00875 0.00804 0.01333 0.00535
|
|
388 13F-2 0.00010 0.00282 -0.01206 -0.01255 -0.00060
|
|
389 13F+3 0.00214 0.00043 -0.01043 -0.01811 -0.01189
|
|
390 13F-3 0.00027 -0.01881 0.01386 -0.01367 0.00609
|
|
391 14F 0 -0.36994 -0.19417 -0.19493 0.23575 -0.23065
|
|
392 14F+1 -0.23444 -0.05844 0.09710 -0.50493 -0.02388
|
|
393 14F-1 -0.00059 0.05880 -0.12253 -0.00577 -0.04104
|
|
394 14F+2 0.15635 -0.16980 -0.05336 -0.04284 -0.05974
|
|
395 14F-2 0.06164 -0.15367 0.20440 0.06382 0.06070
|
|
396 14F+3 -0.04522 -0.02435 0.13044 0.17611 0.15514
|
|
397 14F-3 -0.01066 0.24814 -0.18592 0.14931 -0.08185
|
|
398 15G 0 -0.00741 -0.00134 -0.00445 -0.00122 -0.00339
|
|
399 15G+1 0.00227 -0.00008 0.00509 -0.01575 0.00313
|
|
400 15G-1 0.00481 0.00111 0.00285 0.00520 0.00381
|
|
401 15G+2 0.00642 -0.00260 -0.00132 0.00708 -0.00170
|
|
402 15G-2 0.00054 -0.00699 0.00288 0.00407 0.00013
|
|
403 15G+3 -0.00688 -0.00209 0.00246 0.00534 0.00124
|
|
404 15G-3 0.00148 0.00828 -0.00576 -0.00195 -0.00044
|
|
405 15G+4 0.00363 0.00011 -0.00233 -0.00204 0.00117
|
|
406 15G-4 -0.00071 -0.00451 0.00212 -0.00034 0.00019
|
|
201 202 203 204 205
|
|
V V V V V
|
|
Eigenvalues -- 5.46237 5.49195 5.52406 5.52426 5.56225
|
|
1 1 C 1S -0.00226 -0.00204 0.00000 -0.00425 0.00000
|
|
2 2S 0.04770 0.01580 0.00000 0.04179 0.00000
|
|
3 3S 0.36715 0.19085 0.00000 0.23815 0.00000
|
|
4 4S -2.73957 -3.27356 0.00000 -2.28953 0.00000
|
|
5 5S 1.59060 6.99600 0.00000 4.86240 0.00000
|
|
6 6S -2.14376 -0.94838 0.00000 -1.93078 0.00000
|
|
7 7PX -0.13396 0.04133 0.00000 0.03964 0.00000
|
|
8 7PY -0.00536 -0.00007 0.00000 0.01572 0.00000
|
|
9 7PZ 0.00000 0.00000 0.06486 0.00000 -0.08539
|
|
10 8PX -0.47490 -0.25803 0.00000 0.76253 0.00000
|
|
11 8PY -0.27578 -0.35847 0.00000 -0.06625 0.00000
|
|
12 8PZ 0.00000 0.00000 0.35256 0.00000 -0.90395
|
|
13 9PX -0.79358 4.21694 0.00000 -3.74459 0.00000
|
|
14 9PY 0.60250 2.30346 0.00000 0.18570 0.00000
|
|
15 9PZ 0.00000 0.00000 -1.30958 0.00000 3.05458
|
|
16 10PX -1.32903 5.30074 0.00000 -0.69511 0.00000
|
|
17 10PY 1.93192 1.93524 0.00000 4.55488 0.00000
|
|
18 10PZ 0.00000 0.00000 1.78756 0.00000 -0.89145
|
|
19 11PX -0.52593 0.29609 0.00000 0.00130 0.00000
|
|
20 11PY 0.16492 0.09482 0.00000 0.65922 0.00000
|
|
21 11PZ 0.00000 0.00000 0.34019 0.00000 -0.47031
|
|
22 12D 0 -0.00931 0.01379 0.00000 -0.00665 0.00000
|
|
23 12D+1 0.00000 0.00000 -0.02134 0.00000 -0.06301
|
|
24 12D-1 0.00000 0.00000 0.02321 0.00000 0.07219
|
|
25 12D+2 0.02813 0.00778 0.00000 0.01604 0.00000
|
|
26 12D-2 0.04112 -0.00973 0.00000 -0.01031 0.00000
|
|
27 13D 0 0.17950 -0.44113 0.00000 -0.14277 0.00000
|
|
28 13D+1 0.00000 0.00000 0.07274 0.00000 0.78000
|
|
29 13D-1 0.00000 0.00000 -0.36023 0.00000 -0.92639
|
|
30 13D+2 -0.53377 -0.02709 0.00000 -0.34044 0.00000
|
|
31 13D-2 -0.37593 -0.00375 0.00000 0.07596 0.00000
|
|
32 14D 0 1.00720 2.24326 0.00000 -0.29662 0.00000
|
|
33 14D+1 0.00000 0.00000 -0.24555 0.00000 1.77700
|
|
34 14D-1 0.00000 0.00000 -1.00865 0.00000 2.34328
|
|
35 14D+2 0.41885 -0.73619 0.00000 1.29207 0.00000
|
|
36 14D-2 -0.03736 0.45279 0.00000 -0.92416 0.00000
|
|
37 15D 0 0.58078 1.52774 0.00000 1.50168 0.00000
|
|
38 15D+1 0.00000 0.00000 1.66645 0.00000 0.56590
|
|
39 15D-1 0.00000 0.00000 -0.53744 0.00000 0.35318
|
|
40 15D+2 0.37681 -0.70226 0.00000 1.21769 0.00000
|
|
41 15D-2 0.02080 0.15972 0.00000 0.04825 0.00000
|
|
42 16F 0 0.00000 0.00000 -0.00354 0.00000 0.01741
|
|
43 16F+1 -0.04023 -0.04224 0.00000 -0.00699 0.00000
|
|
44 16F-1 -0.03696 0.02249 0.00000 -0.01520 0.00000
|
|
45 16F+2 0.00000 0.00000 -0.02695 0.00000 0.01119
|
|
46 16F-2 0.00000 0.00000 0.07129 0.00000 -0.05265
|
|
47 16F+3 0.02507 -0.00350 0.00000 0.03477 0.00000
|
|
48 16F-3 0.02645 -0.05132 0.00000 -0.02154 0.00000
|
|
49 17F 0 0.00000 0.00000 0.18879 0.00000 -0.15274
|
|
50 17F+1 0.09704 0.41337 0.00000 -0.05722 0.00000
|
|
51 17F-1 0.46309 -0.09079 0.00000 0.01320 0.00000
|
|
52 17F+2 0.00000 0.00000 0.48089 0.00000 -0.08007
|
|
53 17F-2 0.00000 0.00000 -0.61788 0.00000 0.76303
|
|
54 17F+3 -0.18416 0.23269 0.00000 -0.26086 0.00000
|
|
55 17F-3 -0.48934 0.51481 0.00000 0.25946 0.00000
|
|
56 18F 0 0.00000 0.00000 -1.22398 0.00000 0.39898
|
|
57 18F+1 0.73873 0.46274 0.00000 0.30197 0.00000
|
|
58 18F-1 -0.71262 1.11898 0.00000 0.39492 0.00000
|
|
59 18F+2 0.00000 0.00000 -1.53742 0.00000 0.84388
|
|
60 18F-2 0.00000 0.00000 0.03862 0.00000 -0.23415
|
|
61 18F+3 -0.69026 -1.87251 0.00000 -0.89946 0.00000
|
|
62 18F-3 0.49950 -0.09851 0.00000 -0.00586 0.00000
|
|
63 19G 0 0.03845 -0.01984 0.00000 -0.02005 0.00000
|
|
64 19G+1 0.00000 0.00000 0.03240 0.00000 -0.05622
|
|
65 19G-1 0.00000 0.00000 0.01381 0.00000 -0.01713
|
|
66 19G+2 -0.06260 0.03565 0.00000 0.03867 0.00000
|
|
67 19G-2 -0.00561 0.02692 0.00000 0.00789 0.00000
|
|
68 19G+3 0.00000 0.00000 0.04225 0.00000 0.03270
|
|
69 19G-3 0.00000 0.00000 0.01085 0.00000 -0.00972
|
|
70 19G+4 0.01962 -0.04834 0.00000 -0.00718 0.00000
|
|
71 19G-4 -0.05163 0.00758 0.00000 -0.03901 0.00000
|
|
72 20G 0 0.13792 -0.16716 0.00000 0.49327 0.00000
|
|
73 20G+1 0.00000 0.00000 0.39135 0.00000 0.37216
|
|
74 20G-1 0.00000 0.00000 -0.28471 0.00000 0.07138
|
|
75 20G+2 0.14157 0.28640 0.00000 -0.82074 0.00000
|
|
76 20G-2 0.00751 0.23967 0.00000 0.00825 0.00000
|
|
77 20G+3 0.00000 0.00000 -0.29131 0.00000 -0.19516
|
|
78 20G-3 0.00000 0.00000 -0.01527 0.00000 0.27003
|
|
79 20G+4 -0.03312 0.09330 0.00000 0.20801 0.00000
|
|
80 20G-4 0.26094 -0.20741 0.00000 0.39078 0.00000
|
|
81 21H 0 0.00000 0.00000 -0.00897 0.00000 0.01400
|
|
82 21H+1 0.00024 0.09101 0.00000 0.02518 0.00000
|
|
83 21H-1 0.02010 -0.02442 0.00000 0.00293 0.00000
|
|
84 21H+2 0.00000 0.00000 0.04509 0.00000 -0.04997
|
|
85 21H-2 0.00000 0.00000 0.05542 0.00000 0.02976
|
|
86 21H+3 0.01497 -0.03822 0.00000 0.01055 0.00000
|
|
87 21H-3 -0.00335 0.04346 0.00000 -0.01057 0.00000
|
|
88 21H+4 0.00000 0.00000 0.00618 0.00000 -0.02022
|
|
89 21H-4 0.00000 0.00000 -0.04830 0.00000 0.00916
|
|
90 21H+5 -0.01713 0.02651 0.00000 -0.01419 0.00000
|
|
91 21H-5 0.00536 0.00635 0.00000 0.04566 0.00000
|
|
92 2 S 1S 0.03414 0.03183 0.00000 0.01924 0.00000
|
|
93 2S -0.01444 -0.01458 0.00000 -0.00766 0.00000
|
|
94 3S 0.37959 0.33925 0.00000 0.22986 0.00000
|
|
95 4S 0.66035 0.37029 0.00000 0.68412 0.00000
|
|
96 5S -1.64057 0.89253 0.00000 -4.48736 0.00000
|
|
97 6S 4.36634 -1.61893 0.00000 12.03630 0.00000
|
|
98 7S 1.66891 -0.39938 0.00000 3.21463 0.00000
|
|
99 8PX -0.01039 -0.03664 0.00000 0.04551 0.00000
|
|
100 8PY -0.00699 -0.00324 0.00000 -0.00709 0.00000
|
|
101 8PZ 0.00000 0.00000 -0.01488 0.00000 0.00825
|
|
102 9PX -0.01233 0.16890 0.00000 -0.31073 0.00000
|
|
103 9PY 0.02779 0.01115 0.00000 0.02202 0.00000
|
|
104 9PZ 0.00000 0.00000 0.08263 0.00000 -0.03247
|
|
105 10PX -0.33261 0.74907 0.00000 -1.98675 0.00000
|
|
106 10PY 0.18714 0.08872 0.00000 0.14610 0.00000
|
|
107 10PZ 0.00000 0.00000 0.46622 0.00000 -0.15150
|
|
108 11PX 1.50420 -0.25767 0.00000 4.04112 0.00000
|
|
109 11PY -0.62712 -0.34506 0.00000 -0.35718 0.00000
|
|
110 11PZ 0.00000 0.00000 -0.72234 0.00000 0.06258
|
|
111 12PX 1.49276 -2.82898 0.00000 4.97891 0.00000
|
|
112 12PY 1.61463 0.38023 0.00000 0.98938 0.00000
|
|
113 12PZ 0.00000 0.00000 -0.98778 0.00000 0.58411
|
|
114 13PX 0.19203 -0.16018 0.00000 0.09379 0.00000
|
|
115 13PY 0.15895 -0.01438 0.00000 0.23461 0.00000
|
|
116 13PZ 0.00000 0.00000 -0.07705 0.00000 0.07573
|
|
117 14D 0 -0.66518 0.39181 0.00000 -1.37761 0.00000
|
|
118 14D+1 0.00000 0.00000 -0.22398 0.00000 -0.36889
|
|
119 14D-1 0.00000 0.00000 -0.59711 0.00000 0.63573
|
|
120 14D+2 -0.15879 -0.88790 0.00000 1.53282 0.00000
|
|
121 14D-2 0.00716 -0.99532 0.00000 -1.38302 0.00000
|
|
122 15D 0 -0.70557 0.28711 0.00000 -1.64003 0.00000
|
|
123 15D+1 0.00000 0.00000 -0.22068 0.00000 -0.11847
|
|
124 15D-1 0.00000 0.00000 -0.74491 0.00000 0.42070
|
|
125 15D+2 0.99974 -0.00467 0.00000 2.42729 0.00000
|
|
126 15D-2 -0.68754 -0.38297 0.00000 -1.02193 0.00000
|
|
127 16D 0 0.09472 -0.18517 0.00000 0.35430 0.00000
|
|
128 16D+1 0.00000 0.00000 0.03923 0.00000 0.02587
|
|
129 16D-1 0.00000 0.00000 0.25432 0.00000 -0.16742
|
|
130 16D+2 -0.06043 0.18164 0.00000 -0.56638 0.00000
|
|
131 16D-2 0.17141 0.10354 0.00000 0.20795 0.00000
|
|
132 17D 0 -0.00548 -0.03343 0.00000 0.02382 0.00000
|
|
133 17D+1 0.00000 0.00000 -0.01498 0.00000 0.00392
|
|
134 17D-1 0.00000 0.00000 0.03740 0.00000 -0.04034
|
|
135 17D+2 0.00508 0.03756 0.00000 -0.06712 0.00000
|
|
136 17D-2 0.00432 0.02223 0.00000 -0.00529 0.00000
|
|
137 18F 0 0.00000 0.00000 0.17067 0.00000 -0.01136
|
|
138 18F+1 -0.11092 0.06504 0.00000 -0.14177 0.00000
|
|
139 18F-1 -0.08352 -0.00126 0.00000 0.10376 0.00000
|
|
140 18F+2 0.00000 0.00000 0.05254 0.00000 -0.22178
|
|
141 18F-2 0.00000 0.00000 -0.20557 0.00000 -0.27610
|
|
142 18F+3 -0.05155 0.21549 0.00000 0.90759 0.00000
|
|
143 18F-3 -0.34157 -0.22285 0.00000 -0.49124 0.00000
|
|
144 19F 0 0.00000 0.00000 0.34917 0.00000 -0.40282
|
|
145 19F+1 -0.10675 0.60494 0.00000 -1.25334 0.00000
|
|
146 19F-1 -0.34452 0.18535 0.00000 -0.00187 0.00000
|
|
147 19F+2 0.00000 0.00000 0.48559 0.00000 -0.75544
|
|
148 19F-2 0.00000 0.00000 0.42078 0.00000 0.18103
|
|
149 19F+3 1.08918 0.43468 0.00000 1.47698 0.00000
|
|
150 19F-3 -0.18231 0.05101 0.00000 -0.51221 0.00000
|
|
151 20F 0 0.00000 0.00000 -0.06423 0.00000 0.27701
|
|
152 20F+1 -0.17383 -0.47650 0.00000 0.50057 0.00000
|
|
153 20F-1 0.26169 -0.18099 0.00000 0.05805 0.00000
|
|
154 20F+2 0.00000 0.00000 -0.31811 0.00000 0.49781
|
|
155 20F-2 0.00000 0.00000 -0.42797 0.00000 -0.19378
|
|
156 20F+3 -0.32873 -0.10265 0.00000 -0.30066 0.00000
|
|
157 20F-3 -0.14740 0.13753 0.00000 -0.06547 0.00000
|
|
158 21G 0 0.10122 -0.06969 0.00000 0.13069 0.00000
|
|
159 21G+1 0.00000 0.00000 0.11276 0.00000 0.02126
|
|
160 21G-1 0.00000 0.00000 0.14484 0.00000 -0.14588
|
|
161 21G+2 0.07197 0.08122 0.00000 -0.27215 0.00000
|
|
162 21G-2 0.09387 -0.02468 0.00000 0.06619 0.00000
|
|
163 21G+3 0.00000 0.00000 0.08082 0.00000 0.03699
|
|
164 21G-3 0.00000 0.00000 0.11456 0.00000 -0.21686
|
|
165 21G+4 0.38071 0.04629 0.00000 0.61334 0.00000
|
|
166 21G-4 -0.09805 0.40599 0.00000 0.00474 0.00000
|
|
167 22G 0 -0.00455 -0.05189 0.00000 0.08652 0.00000
|
|
168 22G+1 0.00000 0.00000 -0.19854 0.00000 0.02444
|
|
169 22G-1 0.00000 0.00000 -0.06851 0.00000 0.06116
|
|
170 22G+2 -0.13037 -0.12520 0.00000 0.03601 0.00000
|
|
171 22G-2 -0.07639 0.08606 0.00000 0.07342 0.00000
|
|
172 22G+3 0.00000 0.00000 -0.29189 0.00000 -0.09991
|
|
173 22G-3 0.00000 0.00000 -0.02986 0.00000 0.03232
|
|
174 22G+4 0.10975 0.20585 0.00000 -0.00277 0.00000
|
|
175 22G-4 -0.00707 -0.16807 0.00000 -0.17336 0.00000
|
|
176 23H 0 0.00000 0.00000 0.06023 0.00000 0.01975
|
|
177 23H+1 0.05208 0.09329 0.00000 0.04233 0.00000
|
|
178 23H-1 -0.29714 -0.06659 0.00000 0.21362 0.00000
|
|
179 23H+2 0.00000 0.00000 0.04194 0.00000 -0.12183
|
|
180 23H-2 0.00000 0.00000 -0.05144 0.00000 -0.14544
|
|
181 23H+3 0.00175 -0.11335 0.00000 -0.10113 0.00000
|
|
182 23H-3 0.12144 -0.02686 0.00000 0.07285 0.00000
|
|
183 23H+4 0.00000 0.00000 -0.10339 0.00000 -0.23447
|
|
184 23H-4 0.00000 0.00000 -0.10558 0.00000 -0.04816
|
|
185 23H+5 0.09324 0.04440 0.00000 0.14916 0.00000
|
|
186 23H-5 -0.06119 -0.05613 0.00000 -0.26815 0.00000
|
|
187 3 H 1S -0.01360 0.00119 0.00000 -0.01649 0.00000
|
|
188 2S 0.28518 -0.19884 0.00000 0.82537 0.00000
|
|
189 3S -2.48715 1.03499 0.00000 -6.75952 0.00000
|
|
190 4S -1.25490 1.59923 0.00000 -5.28172 0.00000
|
|
191 5S -0.03636 -0.07399 0.00000 0.27859 0.00000
|
|
192 6PX 0.01092 0.00188 0.00000 0.06130 0.00000
|
|
193 6PY -0.03311 0.02006 0.00000 -0.00905 0.00000
|
|
194 6PZ 0.00000 0.00000 -0.01051 0.00000 0.00863
|
|
195 7PX -0.14084 -0.04353 0.00000 -0.59369 0.00000
|
|
196 7PY 0.24280 -0.13654 0.00000 0.08473 0.00000
|
|
197 7PZ 0.00000 0.00000 0.07924 0.00000 -0.06803
|
|
198 8PX 1.53686 -0.12771 0.00000 3.74981 0.00000
|
|
199 8PY -0.43907 0.06044 0.00000 -0.58668 0.00000
|
|
200 8PZ 0.00000 0.00000 0.00169 0.00000 0.14737
|
|
201 9PX 0.96153 -0.55413 0.00000 2.87797 0.00000
|
|
202 9PY 0.30103 0.34070 0.00000 0.57525 0.00000
|
|
203 9PZ 0.00000 0.00000 0.28195 0.00000 0.30835
|
|
204 10D 0 -0.06650 0.00959 0.00000 -0.06421 0.00000
|
|
205 10D+1 0.00000 0.00000 -0.01643 0.00000 -0.02021
|
|
206 10D-1 0.00000 0.00000 0.00259 0.00000 0.02752
|
|
207 10D+2 0.00810 0.03439 0.00000 -0.03205 0.00000
|
|
208 10D-2 0.01779 -0.03693 0.00000 -0.05088 0.00000
|
|
209 11D 0 0.43719 -0.06871 0.00000 0.44765 0.00000
|
|
210 11D+1 0.00000 0.00000 0.13057 0.00000 0.16198
|
|
211 11D-1 0.00000 0.00000 -0.03493 0.00000 -0.19741
|
|
212 11D+2 -0.05762 -0.21022 0.00000 0.21699 0.00000
|
|
213 11D-2 -0.12650 0.25647 0.00000 0.39526 0.00000
|
|
214 12D 0 -0.10340 0.11195 0.00000 0.11210 0.00000
|
|
215 12D+1 0.00000 0.00000 -0.33223 0.00000 -0.31148
|
|
216 12D-1 0.00000 0.00000 0.07013 0.00000 0.29134
|
|
217 12D+2 -0.88089 -0.10229 0.00000 -1.64193 0.00000
|
|
218 12D-2 0.19886 -0.06775 0.00000 -0.28976 0.00000
|
|
219 13F 0 0.00000 0.00000 0.00683 0.00000 -0.00810
|
|
220 13F+1 -0.00875 0.01732 0.00000 -0.04923 0.00000
|
|
221 13F-1 0.01780 -0.00618 0.00000 0.01111 0.00000
|
|
222 13F+2 0.00000 0.00000 -0.01392 0.00000 -0.00217
|
|
223 13F-2 0.00000 0.00000 0.01509 0.00000 0.01234
|
|
224 13F+3 -0.03222 -0.03406 0.00000 0.00642 0.00000
|
|
225 13F-3 0.00928 0.01846 0.00000 -0.02602 0.00000
|
|
226 14F 0 0.00000 0.00000 -0.08440 0.00000 0.03732
|
|
227 14F+1 -0.00287 -0.17539 0.00000 0.18841 0.00000
|
|
228 14F-1 -0.19176 0.06741 0.00000 -0.07977 0.00000
|
|
229 14F+2 0.00000 0.00000 0.13317 0.00000 0.04531
|
|
230 14F-2 0.00000 0.00000 -0.10652 0.00000 -0.14332
|
|
231 14F+3 0.47141 0.33360 0.00000 0.30498 0.00000
|
|
232 14F-3 -0.19165 -0.18076 0.00000 0.07277 0.00000
|
|
233 15G 0 -0.00343 0.00225 0.00000 -0.01294 0.00000
|
|
234 15G+1 0.00000 0.00000 0.00402 0.00000 0.00880
|
|
235 15G-1 0.00000 0.00000 0.00061 0.00000 -0.00346
|
|
236 15G+2 0.00089 -0.00241 0.00000 0.01834 0.00000
|
|
237 15G-2 -0.00444 0.00220 0.00000 -0.00167 0.00000
|
|
238 15G+3 0.00000 0.00000 0.00050 0.00000 -0.00102
|
|
239 15G-3 0.00000 0.00000 -0.00783 0.00000 -0.00127
|
|
240 15G+4 -0.00514 0.00301 0.00000 -0.02069 0.00000
|
|
241 15G-4 0.00026 -0.00418 0.00000 0.00737 0.00000
|
|
242 4 H 1S -0.00582 0.00973 0.00000 0.01433 0.00000
|
|
243 2S 0.14426 -0.32713 0.00000 -0.19191 0.00000
|
|
244 3S -1.96409 1.71888 0.00000 -3.98169 0.00000
|
|
245 4S 0.69603 4.03946 0.00000 -1.05913 0.00000
|
|
246 5S -0.44143 -0.01659 0.00000 0.00550 0.00000
|
|
247 6PX 0.04039 0.00158 0.00000 0.00923 0.00000
|
|
248 6PY -0.01752 0.02965 0.00000 0.02144 0.00000
|
|
249 6PZ 0.00000 0.00000 0.02434 0.00000 0.00007
|
|
250 7PX -0.29457 -0.02238 0.00000 -0.06639 0.00000
|
|
251 7PY 0.09764 -0.19573 0.00000 -0.18551 0.00000
|
|
252 7PZ 0.00000 0.00000 -0.13862 0.00000 0.01621
|
|
253 8PX 0.16051 0.90378 0.00000 -1.34163 0.00000
|
|
254 8PY 0.23983 -0.04048 0.00000 1.21060 0.00000
|
|
255 8PZ 0.00000 0.00000 -0.22084 0.00000 -0.44940
|
|
256 9PX 0.42059 1.00108 0.00000 -0.56759 0.00000
|
|
257 9PY -0.24626 -1.24952 0.00000 -0.10486 0.00000
|
|
258 9PZ 0.00000 0.00000 0.41758 0.00000 1.02084
|
|
259 10D 0 -0.05091 -0.04793 0.00000 -0.11674 0.00000
|
|
260 10D+1 0.00000 0.00000 0.00664 0.00000 0.05413
|
|
261 10D-1 0.00000 0.00000 -0.10197 0.00000 -0.02075
|
|
262 10D+2 0.02246 -0.04714 0.00000 -0.06515 0.00000
|
|
263 10D-2 -0.04986 0.02670 0.00000 0.02051 0.00000
|
|
264 11D 0 0.38078 0.30483 0.00000 0.87323 0.00000
|
|
265 11D+1 0.00000 0.00000 -0.12161 0.00000 -0.52458
|
|
266 11D-1 0.00000 0.00000 0.70088 0.00000 0.17054
|
|
267 11D+2 -0.17379 0.34458 0.00000 0.33796 0.00000
|
|
268 11D-2 0.40555 -0.19168 0.00000 -0.01288 0.00000
|
|
269 12D 0 -0.27652 -1.21972 0.00000 -0.51890 0.00000
|
|
270 12D+1 0.00000 0.00000 -0.38687 0.00000 0.95872
|
|
271 12D-1 0.00000 0.00000 -0.77203 0.00000 -0.49255
|
|
272 12D+2 0.45738 -0.74347 0.00000 -0.19603 0.00000
|
|
273 12D-2 -0.34350 -0.76622 0.00000 0.07277 0.00000
|
|
274 13F 0 0.00000 0.00000 -0.02009 0.00000 0.06047
|
|
275 13F+1 -0.02044 0.05373 0.00000 0.01325 0.00000
|
|
276 13F-1 -0.01727 -0.01449 0.00000 0.00238 0.00000
|
|
277 13F+2 0.00000 0.00000 0.00209 0.00000 -0.05246
|
|
278 13F-2 0.00000 0.00000 0.03167 0.00000 0.05019
|
|
279 13F+3 0.01164 0.05559 0.00000 0.00406 0.00000
|
|
280 13F-3 0.02123 0.01643 0.00000 0.04037 0.00000
|
|
281 14F 0 0.00000 0.00000 0.38219 0.00000 -0.54693
|
|
282 14F+1 0.20772 -0.71432 0.00000 -0.05639 0.00000
|
|
283 14F-1 0.12654 0.24602 0.00000 -0.09373 0.00000
|
|
284 14F+2 0.00000 0.00000 -0.19054 0.00000 0.43165
|
|
285 14F-2 0.00000 0.00000 -0.28826 0.00000 -0.45203
|
|
286 14F+3 0.05437 -0.72532 0.00000 0.05652 0.00000
|
|
287 14F-3 -0.10487 -0.32728 0.00000 -0.31126 0.00000
|
|
288 15G 0 0.00348 0.00983 0.00000 0.00168 0.00000
|
|
289 15G+1 0.00000 0.00000 0.00741 0.00000 -0.00468
|
|
290 15G-1 0.00000 0.00000 0.00286 0.00000 -0.00006
|
|
291 15G+2 -0.00693 -0.00069 0.00000 -0.00282 0.00000
|
|
292 15G-2 -0.00262 0.01593 0.00000 0.00329 0.00000
|
|
293 15G+3 0.00000 0.00000 -0.01010 0.00000 0.00231
|
|
294 15G-3 0.00000 0.00000 0.00235 0.00000 -0.00225
|
|
295 15G+4 0.01142 -0.01882 0.00000 0.00241 0.00000
|
|
296 15G-4 -0.00347 -0.00377 0.00000 -0.00412 0.00000
|
|
297 5 H 1S 0.01240 0.00886 0.00975 0.00032 0.00941
|
|
298 2S -0.09974 0.04719 -0.05738 0.25846 -0.25964
|
|
299 3S -0.92230 -5.01642 0.67593 -1.00154 -2.58195
|
|
300 4S 0.47188 -1.73953 -0.70379 -0.26780 -0.38006
|
|
301 5S 0.31835 0.12283 -0.05819 -0.07541 0.29256
|
|
302 6PX -0.00031 0.01409 -0.01162 0.00670 -0.00487
|
|
303 6PY 0.00490 -0.00979 -0.02124 -0.00345 0.02152
|
|
304 6PZ 0.00799 -0.00804 0.00469 -0.01578 0.00614
|
|
305 7PX -0.00133 -0.10923 0.08601 -0.06726 0.03026
|
|
306 7PY -0.03994 0.04232 0.14053 0.03371 -0.14740
|
|
307 7PZ -0.04436 0.02928 -0.01741 0.13097 -0.06303
|
|
308 8PX 0.14003 0.87701 -0.32736 0.55649 0.56288
|
|
309 8PY 0.30052 0.47535 -0.48287 -0.35872 0.64678
|
|
310 8PZ 0.06172 1.38411 -0.37967 -0.51538 1.32159
|
|
311 9PX 0.67576 -0.01449 -0.63671 0.38176 -0.38728
|
|
312 9PY -0.26519 -0.16584 0.53724 -0.50952 0.16155
|
|
313 9PZ -0.69456 0.46506 -0.39481 -0.26736 0.65613
|
|
314 10D 0 -0.01019 -0.00488 0.03071 -0.00322 -0.01383
|
|
315 10D+1 -0.02778 0.01436 -0.01722 0.01156 0.02356
|
|
316 10D-1 0.03557 0.06119 -0.01504 0.01689 -0.04948
|
|
317 10D+2 0.02804 0.03075 0.04911 0.01879 -0.01546
|
|
318 10D-2 -0.05722 -0.03466 0.07026 -0.00770 0.00142
|
|
319 11D 0 -0.01297 -0.01886 -0.21848 0.05264 0.05859
|
|
320 11D+1 0.18587 -0.20248 0.07904 -0.11552 -0.27644
|
|
321 11D-1 -0.30756 -0.52112 0.09630 -0.12372 0.32298
|
|
322 11D+2 -0.15082 -0.20188 -0.35190 -0.12665 0.02888
|
|
323 11D-2 0.36533 0.16871 -0.48209 0.03083 -0.04370
|
|
324 12D 0 0.72912 -0.31450 0.75733 0.21405 -0.65561
|
|
325 12D+1 -0.33242 0.22037 0.01432 0.16386 0.34960
|
|
326 12D-1 0.82142 0.55980 -0.25948 0.52313 -0.53195
|
|
327 12D+2 -0.02107 0.73713 1.22625 -0.40194 -0.02747
|
|
328 12D-2 -0.67119 -0.14412 0.40643 -0.19604 0.12042
|
|
329 13F 0 0.03421 -0.02831 0.03459 -0.01929 -0.01903
|
|
330 13F+1 0.00654 -0.00870 -0.01354 0.01514 0.04291
|
|
331 13F-1 0.05435 0.02782 -0.01092 -0.00811 -0.02103
|
|
332 13F+2 -0.02927 0.04558 0.03551 -0.01524 0.03501
|
|
333 13F-2 -0.01063 0.01724 -0.01276 0.00032 0.00523
|
|
334 13F+3 0.00113 0.00985 0.04193 0.01441 -0.00101
|
|
335 13F-3 -0.00182 0.00897 0.02767 0.00101 0.01749
|
|
336 14F 0 -0.39473 0.29257 -0.47908 0.10202 0.32236
|
|
337 14F+1 -0.11913 0.15136 0.14389 -0.19412 -0.33421
|
|
338 14F-1 -0.59548 -0.21511 0.10477 0.00978 0.20784
|
|
339 14F+2 0.32950 -0.57443 -0.47772 0.23670 -0.24832
|
|
340 14F-2 0.14384 -0.05892 0.18722 0.05506 -0.05162
|
|
341 14F+3 -0.01975 -0.17727 -0.53683 -0.10754 0.06528
|
|
342 14F-3 0.03915 -0.10160 -0.33528 0.07877 -0.13673
|
|
343 15G 0 0.00312 -0.00573 0.00935 -0.00309 -0.00824
|
|
344 15G+1 0.00686 0.00286 0.00347 0.00631 -0.00685
|
|
345 15G-1 0.01049 0.00350 0.00637 0.00376 -0.00367
|
|
346 15G+2 -0.00468 0.00548 0.01049 0.00273 -0.00207
|
|
347 15G-2 0.00384 0.00021 -0.00675 0.00132 0.00321
|
|
348 15G+3 -0.00670 0.00680 0.00925 -0.00340 -0.00654
|
|
349 15G-3 -0.00621 0.00422 0.00595 -0.00404 -0.00205
|
|
350 15G+4 0.00322 0.00082 0.00189 0.00021 0.00304
|
|
351 15G-4 -0.00154 0.00690 0.00462 -0.00503 -0.00158
|
|
352 6 H 1S 0.01240 0.00886 -0.00975 0.00032 -0.00941
|
|
353 2S -0.09974 0.04719 0.05738 0.25846 0.25964
|
|
354 3S -0.92230 -5.01642 -0.67593 -1.00154 2.58195
|
|
355 4S 0.47188 -1.73953 0.70379 -0.26780 0.38006
|
|
356 5S 0.31835 0.12283 0.05819 -0.07541 -0.29256
|
|
357 6PX -0.00031 0.01409 0.01162 0.00670 0.00487
|
|
358 6PY 0.00490 -0.00979 0.02124 -0.00345 -0.02152
|
|
359 6PZ -0.00799 0.00804 0.00469 0.01578 0.00614
|
|
360 7PX -0.00133 -0.10923 -0.08601 -0.06726 -0.03026
|
|
361 7PY -0.03994 0.04232 -0.14053 0.03371 0.14740
|
|
362 7PZ 0.04436 -0.02928 -0.01741 -0.13097 -0.06303
|
|
363 8PX 0.14003 0.87701 0.32736 0.55649 -0.56288
|
|
364 8PY 0.30052 0.47535 0.48287 -0.35872 -0.64678
|
|
365 8PZ -0.06172 -1.38411 -0.37967 0.51538 1.32159
|
|
366 9PX 0.67576 -0.01449 0.63671 0.38176 0.38728
|
|
367 9PY -0.26519 -0.16584 -0.53724 -0.50952 -0.16155
|
|
368 9PZ 0.69456 -0.46506 -0.39481 0.26736 0.65613
|
|
369 10D 0 -0.01019 -0.00488 -0.03071 -0.00322 0.01383
|
|
370 10D+1 0.02778 -0.01436 -0.01722 -0.01156 0.02356
|
|
371 10D-1 -0.03557 -0.06119 -0.01504 -0.01689 -0.04948
|
|
372 10D+2 0.02804 0.03075 -0.04911 0.01879 0.01546
|
|
373 10D-2 -0.05722 -0.03466 -0.07026 -0.00770 -0.00142
|
|
374 11D 0 -0.01297 -0.01886 0.21848 0.05264 -0.05859
|
|
375 11D+1 -0.18587 0.20248 0.07904 0.11552 -0.27644
|
|
376 11D-1 0.30756 0.52112 0.09630 0.12372 0.32298
|
|
377 11D+2 -0.15082 -0.20188 0.35190 -0.12665 -0.02888
|
|
378 11D-2 0.36533 0.16871 0.48209 0.03083 0.04370
|
|
379 12D 0 0.72912 -0.31450 -0.75733 0.21405 0.65561
|
|
380 12D+1 0.33242 -0.22037 0.01432 -0.16386 0.34960
|
|
381 12D-1 -0.82142 -0.55980 -0.25948 -0.52313 -0.53195
|
|
382 12D+2 -0.02107 0.73713 -1.22625 -0.40194 0.02747
|
|
383 12D-2 -0.67119 -0.14412 -0.40643 -0.19604 -0.12042
|
|
384 13F 0 -0.03421 0.02831 0.03459 0.01929 -0.01903
|
|
385 13F+1 0.00654 -0.00870 0.01354 0.01514 -0.04291
|
|
386 13F-1 0.05435 0.02782 0.01092 -0.00811 0.02103
|
|
387 13F+2 0.02927 -0.04558 0.03551 0.01524 0.03501
|
|
388 13F-2 0.01063 -0.01724 -0.01276 -0.00032 0.00523
|
|
389 13F+3 0.00113 0.00985 -0.04193 0.01441 0.00101
|
|
390 13F-3 -0.00182 0.00897 -0.02767 0.00101 -0.01749
|
|
391 14F 0 0.39473 -0.29257 -0.47908 -0.10202 0.32236
|
|
392 14F+1 -0.11913 0.15136 -0.14389 -0.19412 0.33421
|
|
393 14F-1 -0.59548 -0.21511 -0.10477 0.00978 -0.20784
|
|
394 14F+2 -0.32950 0.57443 -0.47772 -0.23670 -0.24832
|
|
395 14F-2 -0.14384 0.05892 0.18722 -0.05506 -0.05162
|
|
396 14F+3 -0.01975 -0.17727 0.53683 -0.10754 -0.06528
|
|
397 14F-3 0.03915 -0.10160 0.33528 0.07877 0.13673
|
|
398 15G 0 0.00312 -0.00573 -0.00935 -0.00309 0.00824
|
|
399 15G+1 -0.00686 -0.00286 0.00347 -0.00631 -0.00685
|
|
400 15G-1 -0.01049 -0.00350 0.00637 -0.00376 -0.00367
|
|
401 15G+2 -0.00468 0.00548 -0.01049 0.00273 0.00207
|
|
402 15G-2 0.00384 0.00021 0.00675 0.00132 -0.00321
|
|
403 15G+3 0.00670 -0.00680 0.00925 0.00340 -0.00654
|
|
404 15G-3 0.00621 -0.00422 0.00595 0.00404 -0.00205
|
|
405 15G+4 0.00322 0.00082 -0.00189 0.00021 -0.00304
|
|
406 15G-4 -0.00154 0.00690 -0.00462 -0.00503 0.00158
|
|
206 207 208 209 210
|
|
V V V V V
|
|
Eigenvalues -- 5.57106 5.61937 5.64667 5.69680 5.72764
|
|
1 1 C 1S -0.00127 -0.00922 -0.00471 0.00000 0.00374
|
|
2 2S 0.02991 -0.00111 0.10340 0.00000 0.00637
|
|
3 3S 0.21318 -0.01640 0.65054 0.00000 0.13063
|
|
4 4S -2.67677 -5.00325 -2.90726 0.00000 0.87037
|
|
5 5S 8.33951 19.42587 -2.75464 0.00000 -7.57254
|
|
6 6S -0.29258 -0.10685 -2.08914 0.00000 -3.16397
|
|
7 7PX -0.03402 -0.07523 0.00978 0.00000 -0.09004
|
|
8 7PY 0.00528 0.01352 -0.03975 0.00000 -0.04007
|
|
9 7PZ 0.00000 0.00000 0.00000 -0.12284 0.00000
|
|
10 8PX -0.89649 -1.03562 0.60588 0.00000 -1.04717
|
|
11 8PY -0.21069 -0.63492 -0.03435 0.00000 -0.18994
|
|
12 8PZ 0.00000 0.00000 0.00000 -2.97612 0.00000
|
|
13 9PX 4.19757 7.23850 -2.40451 0.00000 7.99452
|
|
14 9PY 0.16438 5.12680 -1.33549 0.00000 -0.58029
|
|
15 9PZ 0.00000 0.00000 0.00000 19.19934 0.00000
|
|
16 10PX 0.93253 3.89838 -0.61379 0.00000 5.00507
|
|
17 10PY 4.01488 0.54160 1.48912 0.00000 2.04954
|
|
18 10PZ 0.00000 0.00000 0.00000 8.65455 0.00000
|
|
19 11PX -0.17995 -0.11440 0.07766 0.00000 -0.26039
|
|
20 11PY 0.41215 0.16845 0.09515 0.00000 0.15645
|
|
21 11PZ 0.00000 0.00000 0.00000 -0.08348 0.00000
|
|
22 12D 0 0.00517 0.03476 0.04395 0.00000 0.02995
|
|
23 12D+1 0.00000 0.00000 0.00000 0.04558 0.00000
|
|
24 12D-1 0.00000 0.00000 0.00000 0.00356 0.00000
|
|
25 12D+2 -0.02969 -0.00526 0.00387 0.00000 0.00993
|
|
26 12D-2 -0.00423 -0.03792 -0.05033 0.00000 -0.01136
|
|
27 13D 0 -0.19529 -0.59692 -0.51428 0.00000 -0.36450
|
|
28 13D+1 0.00000 0.00000 0.00000 -0.82478 0.00000
|
|
29 13D-1 0.00000 0.00000 0.00000 -0.41366 0.00000
|
|
30 13D+2 0.20530 -0.04389 -0.19369 0.00000 0.10475
|
|
31 13D-2 -0.13728 0.32539 0.76695 0.00000 0.00202
|
|
32 14D 0 1.74881 4.29763 -0.90277 0.00000 3.81398
|
|
33 14D+1 0.00000 0.00000 0.00000 8.82413 0.00000
|
|
34 14D-1 0.00000 0.00000 0.00000 6.59389 0.00000
|
|
35 14D+2 -1.32276 -0.77387 0.96169 0.00000 -1.89937
|
|
36 14D-2 1.45794 1.81825 -1.55337 0.00000 2.53087
|
|
37 15D 0 1.52075 0.52591 -0.38036 0.00000 0.96428
|
|
38 15D+1 0.00000 0.00000 0.00000 1.99062 0.00000
|
|
39 15D-1 0.00000 0.00000 0.00000 2.42695 0.00000
|
|
40 15D+2 0.83573 -0.55328 1.02345 0.00000 -0.40496
|
|
41 15D-2 1.41374 1.06247 -0.55999 0.00000 0.76819
|
|
42 16F 0 0.00000 0.00000 0.00000 -0.02563 0.00000
|
|
43 16F+1 0.00126 -0.06098 -0.05105 0.00000 0.02807
|
|
44 16F-1 -0.05110 -0.07099 -0.01255 0.00000 -0.07210
|
|
45 16F+2 0.00000 0.00000 0.00000 -0.01476 0.00000
|
|
46 16F-2 0.00000 0.00000 0.00000 -0.10517 0.00000
|
|
47 16F+3 -0.00090 0.00334 0.00601 0.00000 -0.03833
|
|
48 16F-3 -0.02099 0.03565 -0.02209 0.00000 0.02825
|
|
49 17F 0 0.00000 0.00000 0.00000 0.37724 0.00000
|
|
50 17F+1 -0.04774 0.86793 0.02711 0.00000 -0.70354
|
|
51 17F-1 0.51038 1.10093 -0.23151 0.00000 0.73463
|
|
52 17F+2 0.00000 0.00000 0.00000 0.21296 0.00000
|
|
53 17F-2 0.00000 0.00000 0.00000 1.54769 0.00000
|
|
54 17F+3 -0.11039 -0.26373 0.00479 0.00000 0.52051
|
|
55 17F-3 0.01475 -0.16291 -0.04162 0.00000 -0.56746
|
|
56 18F 0 0.00000 0.00000 0.00000 1.06006 0.00000
|
|
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313 9PZ 0.51676 1.26043 -0.49440 2.58295 0.65515
|
|
314 10D 0 -0.01161 -0.01075 -0.03149 0.00596 -0.03117
|
|
315 10D+1 0.06453 0.02310 0.01345 0.02846 -0.00593
|
|
316 10D-1 -0.03111 0.00531 -0.00478 0.02865 0.00977
|
|
317 10D+2 -0.09162 -0.00281 -0.01964 -0.04761 0.02353
|
|
318 10D-2 -0.02464 0.07313 0.03216 -0.01928 0.01199
|
|
319 11D 0 0.01929 0.03054 0.30270 -0.27297 0.21397
|
|
320 11D+1 -0.53027 -0.35573 -0.11454 -0.44729 -0.02192
|
|
321 11D-1 0.14709 -0.20187 -0.00039 -0.48146 -0.08818
|
|
322 11D+2 0.61023 -0.01133 0.14751 0.33981 -0.16326
|
|
323 11D-2 0.13861 -0.62048 -0.26215 -0.01013 -0.11509
|
|
324 12D 0 -0.25026 -0.46090 0.11976 -0.37862 -0.36062
|
|
325 12D+1 0.50281 -0.45622 0.63512 -0.76669 0.10489
|
|
326 12D-1 0.11094 0.17814 0.19377 -0.56225 -0.05847
|
|
327 12D+2 -0.91034 -0.22114 -0.09658 -0.01066 -0.66083
|
|
328 12D-2 -0.10275 0.46464 0.63235 -0.47878 -0.14561
|
|
329 13F 0 -0.00541 -0.03311 -0.03047 0.02669 -0.01692
|
|
330 13F+1 0.02919 0.00275 -0.00554 0.02757 0.04730
|
|
331 13F-1 0.00822 0.01676 -0.00195 0.05828 -0.03399
|
|
332 13F+2 0.01093 -0.00640 -0.00290 -0.01028 -0.00962
|
|
333 13F-2 0.00579 0.05900 0.03492 0.05228 0.00746
|
|
334 13F+3 -0.01493 -0.00428 -0.01879 0.01471 -0.00184
|
|
335 13F-3 -0.00024 0.01814 0.02322 0.01020 -0.01303
|
|
336 14F 0 0.08394 0.24850 0.14841 -0.24759 0.13268
|
|
337 14F+1 -0.23755 0.14613 -0.10312 -0.00327 -0.47829
|
|
338 14F-1 -0.06316 -0.09954 -0.01365 -0.27961 0.29902
|
|
339 14F+2 -0.05525 0.23872 -0.02306 0.00267 0.21985
|
|
340 14F-2 -0.02198 -0.34666 -0.35786 -0.26344 -0.03320
|
|
341 14F+3 0.13149 0.01482 0.17807 -0.22357 0.07205
|
|
342 14F-3 0.02259 -0.08469 -0.21814 -0.09866 0.24754
|
|
343 15G 0 -0.00376 -0.00182 0.00103 -0.00074 -0.00266
|
|
344 15G+1 0.00436 0.00194 0.01103 0.00136 0.00534
|
|
345 15G-1 0.00090 0.00569 0.00316 0.00344 0.00515
|
|
346 15G+2 -0.00480 -0.00782 0.00578 0.00424 -0.00238
|
|
347 15G-2 0.00439 -0.00022 0.00545 0.00151 0.00104
|
|
348 15G+3 0.00208 -0.00516 -0.00233 0.00126 -0.00442
|
|
349 15G-3 -0.00148 -0.00277 0.00188 0.00530 -0.00514
|
|
350 15G+4 -0.00087 0.00023 -0.00132 -0.00917 -0.00523
|
|
351 15G-4 -0.00289 -0.00402 0.00018 -0.00006 -0.00541
|
|
352 6 H 1S 0.00534 0.01033 0.00092 -0.00192 -0.00535
|
|
353 2S 0.17235 -0.04030 0.13906 -0.14746 0.14211
|
|
354 3S -4.16897 -10.34595 1.54069 15.37028 -2.11764
|
|
355 4S -1.63980 -2.18431 1.44011 7.25297 -1.01689
|
|
356 5S 0.09639 0.10314 0.01250 -0.40024 0.33211
|
|
357 6PX -0.00967 -0.00695 -0.01543 -0.01185 -0.00193
|
|
358 6PY 0.01424 0.00918 -0.01423 -0.01892 -0.01741
|
|
359 6PZ 0.00443 -0.01539 0.00099 0.00297 -0.00574
|
|
360 7PX 0.05626 -0.03020 0.12668 0.12999 -0.00782
|
|
361 7PY -0.10125 -0.11079 0.09613 0.21087 0.15095
|
|
362 7PZ -0.02150 0.17845 -0.04641 -0.13402 0.02751
|
|
363 8PX 0.64883 2.21279 -0.44983 -3.01483 0.95809
|
|
364 8PY 0.30513 1.80721 -0.16888 -3.32875 -0.10244
|
|
365 8PZ -1.18474 -3.11102 1.10874 5.84675 -0.76737
|
|
366 9PX 0.40527 0.37057 -0.69602 -1.63315 0.30064
|
|
367 9PY -0.62581 -0.21259 -0.40267 -1.11780 -0.33214
|
|
368 9PZ -0.51676 -1.26043 0.49440 2.58295 -0.65515
|
|
369 10D 0 -0.01161 -0.01075 -0.03149 -0.00596 -0.03117
|
|
370 10D+1 -0.06453 -0.02310 -0.01345 0.02846 0.00593
|
|
371 10D-1 0.03111 -0.00531 0.00478 0.02865 -0.00977
|
|
372 10D+2 -0.09162 -0.00281 -0.01964 0.04761 0.02353
|
|
373 10D-2 -0.02464 0.07313 0.03216 0.01928 0.01199
|
|
374 11D 0 0.01929 0.03054 0.30270 0.27297 0.21397
|
|
375 11D+1 0.53027 0.35573 0.11454 -0.44729 0.02192
|
|
376 11D-1 -0.14709 0.20187 0.00039 -0.48146 0.08818
|
|
377 11D+2 0.61023 -0.01133 0.14751 -0.33981 -0.16326
|
|
378 11D-2 0.13861 -0.62048 -0.26215 0.01013 -0.11509
|
|
379 12D 0 -0.25026 -0.46090 0.11976 0.37862 -0.36062
|
|
380 12D+1 -0.50281 0.45622 -0.63512 -0.76669 -0.10489
|
|
381 12D-1 -0.11094 -0.17814 -0.19377 -0.56225 0.05847
|
|
382 12D+2 -0.91034 -0.22114 -0.09658 0.01066 -0.66083
|
|
383 12D-2 -0.10275 0.46464 0.63235 0.47878 -0.14561
|
|
384 13F 0 0.00541 0.03311 0.03047 0.02669 0.01692
|
|
385 13F+1 0.02919 0.00275 -0.00554 -0.02757 0.04730
|
|
386 13F-1 0.00822 0.01676 -0.00195 -0.05828 -0.03399
|
|
387 13F+2 -0.01093 0.00640 0.00290 -0.01028 0.00962
|
|
388 13F-2 -0.00579 -0.05900 -0.03492 0.05228 -0.00746
|
|
389 13F+3 -0.01493 -0.00428 -0.01879 -0.01471 -0.00184
|
|
390 13F-3 -0.00024 0.01814 0.02322 -0.01020 -0.01303
|
|
391 14F 0 -0.08394 -0.24850 -0.14841 -0.24759 -0.13268
|
|
392 14F+1 -0.23755 0.14613 -0.10312 0.00327 -0.47829
|
|
393 14F-1 -0.06316 -0.09954 -0.01365 0.27961 0.29902
|
|
394 14F+2 0.05525 -0.23872 0.02306 0.00267 -0.21985
|
|
395 14F-2 0.02198 0.34666 0.35786 -0.26344 0.03320
|
|
396 14F+3 0.13149 0.01482 0.17807 0.22357 0.07205
|
|
397 14F-3 0.02259 -0.08469 -0.21814 0.09866 0.24754
|
|
398 15G 0 -0.00376 -0.00182 0.00103 0.00074 -0.00266
|
|
399 15G+1 -0.00436 -0.00194 -0.01103 0.00136 -0.00534
|
|
400 15G-1 -0.00090 -0.00569 -0.00316 0.00344 -0.00515
|
|
401 15G+2 -0.00480 -0.00782 0.00578 -0.00424 -0.00238
|
|
402 15G-2 0.00439 -0.00022 0.00545 -0.00151 0.00104
|
|
403 15G+3 -0.00208 0.00516 0.00233 0.00126 0.00442
|
|
404 15G-3 0.00148 0.00277 -0.00188 0.00530 0.00514
|
|
405 15G+4 -0.00087 0.00023 -0.00132 0.00917 -0.00523
|
|
406 15G-4 -0.00289 -0.00402 0.00018 0.00006 -0.00541
|
|
211 212 213 214 215
|
|
V V V V V
|
|
Eigenvalues -- 5.74289 5.75799 5.77972 5.82834 5.83547
|
|
1 1 C 1S 0.00000 -0.00044 0.00000 0.00000 0.03451
|
|
2 2S 0.00000 -0.03215 0.00000 0.00000 -0.11636
|
|
3 3S 0.00000 -0.33106 0.00000 0.00000 -0.13564
|
|
4 4S 0.00000 5.15572 0.00000 0.00000 1.60000
|
|
5 5S 0.00000 -14.41448 0.00000 0.00000 -2.14166
|
|
6 6S 0.00000 -0.64931 0.00000 0.00000 3.15202
|
|
7 7PX 0.00000 -0.08659 0.00000 0.00000 -0.00936
|
|
8 7PY 0.00000 -0.02018 0.00000 0.00000 -0.02654
|
|
9 7PZ -0.06764 0.00000 -0.02034 -0.11050 0.00000
|
|
10 8PX 0.00000 -2.46071 0.00000 0.00000 -0.04770
|
|
11 8PY 0.00000 0.12213 0.00000 0.00000 0.23454
|
|
12 8PZ -1.53344 0.00000 -0.45948 -2.03337 0.00000
|
|
13 9PX 0.00000 16.53499 0.00000 0.00000 4.09272
|
|
14 9PY 0.00000 -0.23414 0.00000 0.00000 -1.92516
|
|
15 9PZ 9.19375 0.00000 4.49279 16.23281 0.00000
|
|
16 10PX 0.00000 7.28922 0.00000 0.00000 0.07445
|
|
17 10PY 0.00000 0.21006 0.00000 0.00000 0.03513
|
|
18 10PZ 5.41899 0.00000 2.66847 8.46361 0.00000
|
|
19 11PX 0.00000 0.06450 0.00000 0.00000 0.13279
|
|
20 11PY 0.00000 0.05143 0.00000 0.00000 -0.40967
|
|
21 11PZ -0.12468 0.00000 0.04557 -0.05688 0.00000
|
|
22 12D 0 0.00000 0.03565 0.00000 0.00000 -0.01490
|
|
23 12D+1 0.00106 0.00000 0.00384 0.02280 0.00000
|
|
24 12D-1 0.03254 0.00000 -0.01172 -0.00860 0.00000
|
|
25 12D+2 0.00000 0.00208 0.00000 0.00000 -0.01303
|
|
26 12D-2 0.00000 0.00390 0.00000 0.00000 -0.02707
|
|
27 13D 0 0.00000 -0.60142 0.00000 0.00000 0.27387
|
|
28 13D+1 -0.14223 0.00000 -0.18921 -0.58127 0.00000
|
|
29 13D-1 -0.58847 0.00000 0.06553 -0.34524 0.00000
|
|
30 13D+2 0.00000 0.28810 0.00000 0.00000 0.56393
|
|
31 13D-2 0.00000 -0.31653 0.00000 0.00000 0.35188
|
|
32 14D 0 0.00000 7.28669 0.00000 0.00000 0.36638
|
|
33 14D+1 4.74977 0.00000 2.32238 7.22234 0.00000
|
|
34 14D-1 3.92843 0.00000 1.85505 6.74205 0.00000
|
|
35 14D+2 0.00000 -4.11772 0.00000 0.00000 -1.69974
|
|
36 14D-2 0.00000 4.88772 0.00000 0.00000 0.94595
|
|
37 15D 0 0.00000 1.33771 0.00000 0.00000 -0.24116
|
|
38 15D+1 1.22440 0.00000 0.65203 1.74924 0.00000
|
|
39 15D-1 0.46337 0.00000 0.37335 1.71791 0.00000
|
|
40 15D+2 0.00000 -1.04012 0.00000 0.00000 -0.41939
|
|
41 15D-2 0.00000 1.44312 0.00000 0.00000 0.98912
|
|
42 16F 0 -0.04313 0.00000 0.05511 -0.04257 0.00000
|
|
43 16F+1 0.00000 0.03814 0.00000 0.00000 0.03529
|
|
44 16F-1 0.00000 -0.05433 0.00000 0.00000 0.01048
|
|
45 16F+2 0.01138 0.00000 -0.05288 -0.01376 0.00000
|
|
46 16F-2 -0.06639 0.00000 -0.05512 -0.13979 0.00000
|
|
47 16F+3 0.00000 -0.06268 0.00000 0.00000 -0.03048
|
|
48 16F-3 0.00000 0.07921 0.00000 0.00000 0.04436
|
|
49 17F 0 0.48641 0.00000 -0.72863 0.64604 0.00000
|
|
50 17F+1 0.00000 -0.43116 0.00000 0.00000 -0.21867
|
|
51 17F-1 0.00000 0.84518 0.00000 0.00000 0.20995
|
|
52 17F+2 -0.01469 0.00000 0.70404 0.17530 0.00000
|
|
53 17F-2 0.77825 0.00000 0.73144 1.94598 0.00000
|
|
54 17F+3 0.00000 0.91472 0.00000 0.00000 0.48497
|
|
55 17F-3 0.00000 -0.94164 0.00000 0.00000 -0.64949
|
|
56 18F 0 0.76799 0.00000 1.87667 -1.02847 0.00000
|
|
57 18F+1 0.00000 -1.26371 0.00000 0.00000 -1.38292
|
|
58 18F-1 0.00000 0.62225 0.00000 0.00000 0.37204
|
|
59 18F+2 -1.69395 0.00000 -1.44503 0.39998 0.00000
|
|
60 18F-2 0.73590 0.00000 0.48440 2.40208 0.00000
|
|
61 18F+3 0.00000 0.67671 0.00000 0.00000 1.13668
|
|
62 18F-3 0.00000 -1.86952 0.00000 0.00000 -0.02747
|
|
63 19G 0 0.00000 -0.03019 0.00000 0.00000 0.00463
|
|
64 19G+1 0.03108 0.00000 0.02221 0.05903 0.00000
|
|
65 19G-1 -0.03169 0.00000 -0.04853 0.00413 0.00000
|
|
66 19G+2 0.00000 0.02017 0.00000 0.00000 0.03293
|
|
67 19G-2 0.00000 0.00560 0.00000 0.00000 -0.03875
|
|
68 19G+3 0.00193 0.00000 -0.00935 0.01001 0.00000
|
|
69 19G-3 0.03362 0.00000 0.03893 -0.04826 0.00000
|
|
70 19G+4 0.00000 -0.03265 0.00000 0.00000 0.01396
|
|
71 19G-4 0.00000 0.02619 0.00000 0.00000 0.00345
|
|
72 20G 0 0.00000 -0.17263 0.00000 0.00000 -0.16738
|
|
73 20G+1 -0.11386 0.00000 -0.25007 -0.38158 0.00000
|
|
74 20G-1 1.17978 0.00000 0.12421 0.68156 0.00000
|
|
75 20G+2 0.00000 0.63549 0.00000 0.00000 -0.13003
|
|
76 20G-2 0.00000 -0.22250 0.00000 0.00000 -0.02476
|
|
77 20G+3 -0.01324 0.00000 -0.20388 -0.70887 0.00000
|
|
78 20G-3 -0.75894 0.00000 0.45535 1.05079 0.00000
|
|
79 20G+4 0.00000 0.03777 0.00000 0.00000 -0.17817
|
|
80 20G-4 0.00000 0.42710 0.00000 0.00000 0.58210
|
|
81 21H 0 -0.06543 0.00000 0.05530 -0.06494 0.00000
|
|
82 21H+1 0.00000 0.07313 0.00000 0.00000 -0.03864
|
|
83 21H-1 0.00000 0.01798 0.00000 0.00000 -0.00938
|
|
84 21H+2 0.01741 0.00000 0.03145 -0.03653 0.00000
|
|
85 21H-2 0.02967 0.00000 -0.00374 0.00853 0.00000
|
|
86 21H+3 0.00000 -0.00687 0.00000 0.00000 0.01626
|
|
87 21H-3 0.00000 0.07199 0.00000 0.00000 -0.02487
|
|
88 21H+4 0.01205 0.00000 -0.12528 -0.01499 0.00000
|
|
89 21H-4 -0.02073 0.00000 -0.02946 -0.01588 0.00000
|
|
90 21H+5 0.00000 0.03529 0.00000 0.00000 -0.00035
|
|
91 21H-5 0.00000 -0.02631 0.00000 0.00000 -0.04447
|
|
92 2 S 1S 0.00000 -0.04842 0.00000 0.00000 -0.03807
|
|
93 2S 0.00000 0.01763 0.00000 0.00000 -0.01462
|
|
94 3S 0.00000 -0.54532 0.00000 0.00000 -0.55897
|
|
95 4S 0.00000 -0.61212 0.00000 0.00000 -1.86175
|
|
96 5S 0.00000 -3.28526 0.00000 0.00000 3.73495
|
|
97 6S 0.00000 7.71469 0.00000 0.00000 -2.19706
|
|
98 7S 0.00000 2.20044 0.00000 0.00000 -1.66912
|
|
99 8PX 0.00000 0.03685 0.00000 0.00000 -0.00809
|
|
100 8PY 0.00000 0.02211 0.00000 0.00000 -0.01179
|
|
101 8PZ -0.00386 0.00000 0.00533 0.00425 0.00000
|
|
102 9PX 0.00000 -0.23181 0.00000 0.00000 0.06151
|
|
103 9PY 0.00000 -0.06242 0.00000 0.00000 0.08206
|
|
104 9PZ 0.02165 0.00000 -0.01807 -0.00397 0.00000
|
|
105 10PX 0.00000 -1.40093 0.00000 0.00000 0.05511
|
|
106 10PY 0.00000 -0.24142 0.00000 0.00000 0.52372
|
|
107 10PZ 0.11408 0.00000 -0.09254 -0.00841 0.00000
|
|
108 11PX 0.00000 2.27311 0.00000 0.00000 1.87733
|
|
109 11PY 0.00000 -0.25333 0.00000 0.00000 -1.35602
|
|
110 11PZ -0.09233 0.00000 0.14954 0.00511 0.00000
|
|
111 12PX 0.00000 3.15281 0.00000 0.00000 -1.89476
|
|
112 12PY 0.00000 2.77037 0.00000 0.00000 1.16142
|
|
113 12PZ -0.61648 0.00000 -0.23036 -0.20773 0.00000
|
|
114 13PX 0.00000 0.00985 0.00000 0.00000 -0.01767
|
|
115 13PY 0.00000 0.35582 0.00000 0.00000 -0.20467
|
|
116 13PZ 0.00055 0.00000 -0.06274 -0.03522 0.00000
|
|
117 14D 0 0.00000 -1.39981 0.00000 0.00000 0.68666
|
|
118 14D+1 0.00529 0.00000 -0.04072 0.13785 0.00000
|
|
119 14D-1 -0.49432 0.00000 -0.36752 -0.30922 0.00000
|
|
120 14D+2 0.00000 -0.51620 0.00000 0.00000 -1.52208
|
|
121 14D-2 0.00000 0.24939 0.00000 0.00000 1.61280
|
|
122 15D 0 0.00000 -1.43594 0.00000 0.00000 -0.04797
|
|
123 15D+1 -0.11124 0.00000 0.03738 0.10639 0.00000
|
|
124 15D-1 -0.26057 0.00000 0.04888 -0.14470 0.00000
|
|
125 15D+2 0.00000 1.04552 0.00000 0.00000 0.77371
|
|
126 15D-2 0.00000 -1.05799 0.00000 0.00000 -0.11292
|
|
127 16D 0 0.00000 0.45525 0.00000 0.00000 -0.19718
|
|
128 16D+1 0.05964 0.00000 -0.02213 -0.03572 0.00000
|
|
129 16D-1 0.08262 0.00000 -0.00990 0.04888 0.00000
|
|
130 16D+2 0.00000 -0.23484 0.00000 0.00000 0.15236
|
|
131 16D-2 0.00000 0.31152 0.00000 0.00000 -0.03959
|
|
132 17D 0 0.00000 0.06838 0.00000 0.00000 0.00658
|
|
133 17D+1 0.01680 0.00000 -0.00395 -0.00758 0.00000
|
|
134 17D-1 0.00625 0.00000 -0.01741 -0.02308 0.00000
|
|
135 17D+2 0.00000 -0.00293 0.00000 0.00000 0.00123
|
|
136 17D-2 0.00000 0.03656 0.00000 0.00000 -0.01225
|
|
137 18F 0 0.07245 0.00000 0.11849 0.16632 0.00000
|
|
138 18F+1 0.00000 -0.20806 0.00000 0.00000 0.54671
|
|
139 18F-1 0.00000 -0.28242 0.00000 0.00000 -0.21488
|
|
140 18F+2 0.29869 0.00000 0.17357 0.25871 0.00000
|
|
141 18F-2 0.05537 0.00000 -0.17995 0.11276 0.00000
|
|
142 18F+3 0.00000 -0.34589 0.00000 0.00000 -1.12786
|
|
143 18F-3 0.00000 -0.40094 0.00000 0.00000 0.59641
|
|
144 19F 0 0.34464 0.00000 -0.38318 -0.13406 0.00000
|
|
145 19F+1 0.00000 -0.84134 0.00000 0.00000 -0.33607
|
|
146 19F-1 0.00000 -0.10656 0.00000 0.00000 0.27045
|
|
147 19F+2 -0.19431 0.00000 0.13637 -0.02066 0.00000
|
|
148 19F-2 -0.22158 0.00000 -0.04915 -0.14011 0.00000
|
|
149 19F+3 0.00000 1.52327 0.00000 0.00000 0.36048
|
|
150 19F-3 0.00000 -1.27631 0.00000 0.00000 -0.08464
|
|
151 20F 0 -0.21710 0.00000 0.32095 0.16269 0.00000
|
|
152 20F+1 0.00000 0.30018 0.00000 0.00000 0.12417
|
|
153 20F-1 0.00000 0.08601 0.00000 0.00000 -0.10750
|
|
154 20F+2 0.21431 0.00000 -0.09864 0.13758 0.00000
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404 15G-3 0.00296 -0.00080 0.00444 -0.00164 0.00381
|
|
405 15G+4 0.00467 0.00043 0.00157 0.00069 -0.00272
|
|
406 15G-4 -0.00448 0.00267 -0.00269 0.00211 -0.00190
|
|
216 217 218 219 220
|
|
V V V V V
|
|
Eigenvalues -- 5.85972 5.90810 5.95537 5.98566 6.05414
|
|
1 1 C 1S 0.02975 0.00000 -0.04795 -0.01872 0.00000
|
|
2 2S -0.11646 0.00000 0.15905 0.12500 0.00000
|
|
3 3S -0.22690 0.00000 0.01452 0.36307 0.00000
|
|
4 4S 0.03621 0.00000 0.71184 -0.03873 0.00000
|
|
5 5S 3.53386 0.00000 -2.12612 -4.85917 0.00000
|
|
6 6S 3.69504 0.00000 -1.06831 -0.11384 0.00000
|
|
7 7PX -0.07031 0.00000 -0.01578 -0.05476 0.00000
|
|
8 7PY 0.02183 0.00000 0.04852 0.03602 0.00000
|
|
9 7PZ 0.00000 -0.03356 0.00000 0.00000 0.00847
|
|
10 8PX -1.73241 0.00000 -0.89760 -1.74799 0.00000
|
|
11 8PY 0.29811 0.00000 -0.01710 0.30308 0.00000
|
|
12 8PZ 0.00000 -0.59113 0.00000 0.00000 -1.22797
|
|
13 9PX 11.82868 0.00000 10.79213 7.31653 0.00000
|
|
14 9PY 0.19379 0.00000 1.57936 -3.15097 0.00000
|
|
15 9PZ 0.00000 -1.93326 0.00000 0.00000 4.22270
|
|
16 10PX 6.16806 0.00000 4.46078 5.12386 0.00000
|
|
17 10PY -4.93242 0.00000 -1.41943 -1.26254 0.00000
|
|
18 10PZ 0.00000 -0.64363 0.00000 0.00000 4.60258
|
|
19 11PX -0.10560 0.00000 0.02784 -0.09499 0.00000
|
|
20 11PY -0.63666 0.00000 0.07182 -0.16898 0.00000
|
|
21 11PZ 0.00000 -0.09612 0.00000 0.00000 0.12189
|
|
22 12D 0 -0.01033 0.00000 -0.01974 0.00178 0.00000
|
|
23 12D+1 0.00000 0.01947 0.00000 0.00000 0.00602
|
|
24 12D-1 0.00000 0.02392 0.00000 0.00000 0.04406
|
|
25 12D+2 -0.03883 0.00000 -0.00762 -0.04559 0.00000
|
|
26 12D-2 0.01001 0.00000 -0.01709 0.04349 0.00000
|
|
27 13D 0 0.00782 0.00000 -0.36627 -0.33953 0.00000
|
|
28 13D+1 0.00000 0.12391 0.00000 0.00000 -0.53236
|
|
29 13D-1 0.00000 -0.48562 0.00000 0.00000 -0.33459
|
|
30 13D+2 0.65986 0.00000 0.01000 0.68298 0.00000
|
|
31 13D-2 -0.45228 0.00000 0.03405 -0.56845 0.00000
|
|
32 14D 0 3.60219 0.00000 3.89307 4.89381 0.00000
|
|
33 14D+1 0.00000 -1.26837 0.00000 0.00000 5.49090
|
|
34 14D-1 0.00000 0.66879 0.00000 0.00000 1.61223
|
|
35 14D+2 -5.98234 0.00000 -3.34856 -5.29410 0.00000
|
|
36 14D-2 4.25734 0.00000 2.99939 3.14035 0.00000
|
|
37 15D 0 0.02936 0.00000 1.42676 1.68067 0.00000
|
|
38 15D+1 0.00000 -1.26588 0.00000 0.00000 2.67076
|
|
39 15D-1 0.00000 0.28274 0.00000 0.00000 -1.31911
|
|
40 15D+2 -2.03497 0.00000 -0.99424 -1.35175 0.00000
|
|
41 15D-2 1.03209 0.00000 0.68100 -0.22830 0.00000
|
|
42 16F 0 0.00000 0.00825 0.00000 0.00000 -0.02784
|
|
43 16F+1 0.00645 0.00000 -0.02885 0.00409 0.00000
|
|
44 16F-1 -0.04429 0.00000 -0.07888 -0.10309 0.00000
|
|
45 16F+2 0.00000 -0.00339 0.00000 0.00000 0.02457
|
|
46 16F-2 0.00000 -0.01361 0.00000 0.00000 -0.03820
|
|
47 16F+3 -0.05335 0.00000 -0.02406 0.00301 0.00000
|
|
48 16F-3 0.08528 0.00000 -0.01547 0.00262 0.00000
|
|
49 17F 0 0.00000 -0.35860 0.00000 0.00000 0.52770
|
|
50 17F+1 0.51110 0.00000 0.42698 -0.31224 0.00000
|
|
51 17F-1 0.76541 0.00000 1.25885 0.70958 0.00000
|
|
52 17F+2 0.00000 -0.26759 0.00000 0.00000 -0.05784
|
|
53 17F-2 0.00000 -0.34338 0.00000 0.00000 0.17045
|
|
54 17F+3 0.53168 0.00000 0.78844 0.26346 0.00000
|
|
55 17F-3 -0.86953 0.00000 -0.30061 -0.22277 0.00000
|
|
56 18F 0 0.00000 -1.28856 0.00000 0.00000 -0.73846
|
|
57 18F+1 0.20095 0.00000 0.97816 -0.90486 0.00000
|
|
58 18F-1 1.12964 0.00000 1.37658 -0.03616 0.00000
|
|
59 18F+2 0.00000 -0.75271 0.00000 0.00000 0.16380
|
|
60 18F-2 0.00000 -1.12352 0.00000 0.00000 0.47027
|
|
61 18F+3 -0.11657 0.00000 1.45919 0.30993 0.00000
|
|
62 18F-3 -0.98795 0.00000 -1.18297 0.13004 0.00000
|
|
63 19G 0 -0.02232 0.00000 -0.00535 -0.00856 0.00000
|
|
64 19G+1 0.00000 -0.05011 0.00000 0.00000 0.02992
|
|
65 19G-1 0.00000 0.00113 0.00000 0.00000 0.04126
|
|
66 19G+2 0.01848 0.00000 0.02835 0.02250 0.00000
|
|
67 19G-2 -0.02077 0.00000 0.03995 0.01069 0.00000
|
|
68 19G+3 0.00000 -0.00187 0.00000 0.00000 -0.01314
|
|
69 19G-3 0.00000 -0.01238 0.00000 0.00000 0.00062
|
|
70 19G+4 -0.03057 0.00000 -0.02222 0.02933 0.00000
|
|
71 19G-4 -0.00691 0.00000 -0.00511 0.05617 0.00000
|
|
72 20G 0 -0.32337 0.00000 -0.53674 0.40337 0.00000
|
|
73 20G+1 0.00000 0.17526 0.00000 0.00000 -0.31400
|
|
74 20G-1 0.00000 -0.56500 0.00000 0.00000 -0.23308
|
|
75 20G+2 -0.25891 0.00000 -0.03458 -0.09049 0.00000
|
|
76 20G-2 0.42985 0.00000 0.49125 -0.18348 0.00000
|
|
77 20G+3 0.00000 -0.27381 0.00000 0.00000 0.75838
|
|
78 20G-3 0.00000 -0.02774 0.00000 0.00000 0.12853
|
|
79 20G+4 -0.04371 0.00000 -0.16843 -0.35971 0.00000
|
|
80 20G-4 0.50534 0.00000 0.44920 -0.45675 0.00000
|
|
81 21H 0 0.00000 -0.04376 0.00000 0.00000 -0.05497
|
|
82 21H+1 0.01425 0.00000 -0.03672 0.12077 0.00000
|
|
83 21H-1 -0.06963 0.00000 0.02649 0.00900 0.00000
|
|
84 21H+2 0.00000 -0.01445 0.00000 0.00000 0.13451
|
|
85 21H-2 0.00000 0.00368 0.00000 0.00000 0.04448
|
|
86 21H+3 -0.06421 0.00000 -0.00583 -0.03317 0.00000
|
|
87 21H-3 -0.03566 0.00000 0.02201 0.00711 0.00000
|
|
88 21H+4 0.00000 -0.03894 0.00000 0.00000 0.02601
|
|
89 21H-4 0.00000 -0.06216 0.00000 0.00000 0.02926
|
|
90 21H+5 0.00614 0.00000 0.01224 0.03786 0.00000
|
|
91 21H-5 -0.07609 0.00000 -0.02740 -0.06134 0.00000
|
|
92 2 S 1S -0.01449 0.00000 -0.00273 -0.01610 0.00000
|
|
93 2S -0.00394 0.00000 0.00501 -0.00713 0.00000
|
|
94 3S -0.19308 0.00000 -0.03186 -0.25862 0.00000
|
|
95 4S -0.63574 0.00000 -0.20344 -1.12995 0.00000
|
|
96 5S 3.69727 0.00000 2.45193 4.50718 0.00000
|
|
97 6S -8.80877 0.00000 -5.65846 -6.37830 0.00000
|
|
98 7S -3.85163 0.00000 -1.58473 -2.09852 0.00000
|
|
99 8PX -0.00195 0.00000 0.00793 -0.01854 0.00000
|
|
100 8PY -0.03620 0.00000 -0.01263 -0.01407 0.00000
|
|
101 8PZ 0.00000 -0.01395 0.00000 0.00000 0.00940
|
|
102 9PX 0.05547 0.00000 0.07259 0.14122 0.00000
|
|
103 9PY 0.17548 0.00000 0.02107 0.07980 0.00000
|
|
104 9PZ 0.00000 0.04905 0.00000 0.00000 -0.03849
|
|
105 10PX 0.58673 0.00000 0.70530 0.85248 0.00000
|
|
106 10PY 0.92974 0.00000 0.01674 0.45260 0.00000
|
|
107 10PZ 0.00000 0.28290 0.00000 0.00000 -0.23120
|
|
108 11PX -2.03626 0.00000 -1.86019 -0.90226 0.00000
|
|
109 11PY -0.73820 0.00000 0.49875 -0.41699 0.00000
|
|
110 11PZ 0.00000 -0.46197 0.00000 0.00000 0.47769
|
|
111 12PX -1.81618 0.00000 -2.76944 -3.50258 0.00000
|
|
112 12PY -4.60529 0.00000 -0.96604 -1.56000 0.00000
|
|
113 12PZ 0.00000 -0.18015 0.00000 0.00000 -0.98989
|
|
114 13PX -0.02304 0.00000 -0.26906 -0.01290 0.00000
|
|
115 13PY -0.62170 0.00000 -0.02007 -0.26494 0.00000
|
|
116 13PZ 0.00000 0.04245 0.00000 0.00000 -0.12353
|
|
117 14D 0 1.34264 0.00000 1.01907 1.23723 0.00000
|
|
118 14D+1 0.00000 -0.17995 0.00000 0.00000 0.20214
|
|
119 14D-1 0.00000 0.04820 0.00000 0.00000 -1.11267
|
|
120 14D+2 0.94075 0.00000 -0.85230 -0.21893 0.00000
|
|
121 14D-2 0.21247 0.00000 0.39581 0.57893 0.00000
|
|
122 15D 0 1.22103 0.00000 1.12669 0.86041 0.00000
|
|
123 15D+1 0.00000 -0.33307 0.00000 0.00000 0.20890
|
|
124 15D-1 0.00000 -0.49971 0.00000 0.00000 0.00175
|
|
125 15D+2 -0.02540 0.00000 -1.63131 -0.47418 0.00000
|
|
126 15D-2 -0.05409 0.00000 0.90153 0.31158 0.00000
|
|
127 16D 0 -0.25165 0.00000 -0.25813 -0.30394 0.00000
|
|
128 16D+1 0.00000 0.10780 0.00000 0.00000 -0.06871
|
|
129 16D-1 0.00000 0.15438 0.00000 0.00000 0.01451
|
|
130 16D+2 -0.31267 0.00000 0.24759 0.09722 0.00000
|
|
131 16D-2 0.06160 0.00000 -0.23289 -0.18209 0.00000
|
|
132 17D 0 -0.03449 0.00000 -0.03799 -0.00036 0.00000
|
|
133 17D+1 0.00000 0.03121 0.00000 0.00000 -0.00611
|
|
134 17D-1 0.00000 0.08154 0.00000 0.00000 -0.01355
|
|
135 17D+2 -0.05985 0.00000 -0.03353 -0.03729 0.00000
|
|
136 17D-2 -0.00184 0.00000 -0.06341 -0.02522 0.00000
|
|
137 18F 0 0.00000 -0.03995 0.00000 0.00000 0.28452
|
|
138 18F+1 0.04381 0.00000 0.41505 0.42368 0.00000
|
|
139 18F-1 0.38313 0.00000 -0.08061 0.18715 0.00000
|
|
140 18F+2 0.00000 -0.39709 0.00000 0.00000 0.56662
|
|
141 18F-2 0.00000 0.13970 0.00000 0.00000 -0.01158
|
|
142 18F+3 -0.33421 0.00000 -0.46729 -0.75837 0.00000
|
|
143 18F-3 0.24970 0.00000 0.20338 0.74328 0.00000
|
|
144 19F 0 0.00000 0.38440 0.00000 0.00000 -0.43770
|
|
145 19F+1 0.49852 0.00000 0.28113 0.22992 0.00000
|
|
146 19F-1 0.24394 0.00000 0.48053 -0.05478 0.00000
|
|
147 19F+2 0.00000 0.49399 0.00000 0.00000 0.01048
|
|
148 19F-2 0.00000 -0.96963 0.00000 0.00000 -0.34358
|
|
149 19F+3 -0.20730 0.00000 -1.47098 -0.73561 0.00000
|
|
150 19F-3 0.98740 0.00000 0.36001 1.45608 0.00000
|
|
151 20F 0 0.00000 -0.23126 0.00000 0.00000 0.25057
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|
152 20F+1 -0.07801 0.00000 0.21662 0.05201 0.00000
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|
153 20F-1 -0.01117 0.00000 -0.38572 0.16204 0.00000
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|
154 20F+2 0.00000 -0.44311 0.00000 0.00000 0.06133
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|
155 20F-2 0.00000 0.63103 0.00000 0.00000 0.21602
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|
156 20F+3 -0.14118 0.00000 0.38619 0.04477 0.00000
|
|
157 20F-3 -0.44400 0.00000 -0.07724 -0.80702 0.00000
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|
158 21G 0 -0.12579 0.00000 -0.28904 -0.29878 0.00000
|
|
159 21G+1 0.00000 0.18122 0.00000 0.00000 -0.34336
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|
160 21G-1 0.00000 -0.01718 0.00000 0.00000 0.48280
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|
161 21G+2 -0.14564 0.00000 0.39040 0.02266 0.00000
|
|
162 21G-2 0.02485 0.00000 -0.10801 -0.25547 0.00000
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|
163 21G+3 0.00000 -0.07253 0.00000 0.00000 0.02569
|
|
164 21G-3 0.00000 -0.38764 0.00000 0.00000 -0.21222
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|
165 21G+4 -0.47910 0.00000 -0.64735 -1.05474 0.00000
|
|
166 21G-4 0.07339 0.00000 0.16377 0.27689 0.00000
|
|
167 22G 0 -0.10032 0.00000 -0.01744 0.27445 0.00000
|
|
168 22G+1 0.00000 -0.05004 0.00000 0.00000 0.28410
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|
169 22G-1 0.00000 0.20129 0.00000 0.00000 -0.70376
|
|
170 22G+2 0.35417 0.00000 -0.27687 0.06530 0.00000
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|
171 22G-2 -0.05362 0.00000 -0.08077 0.13919 0.00000
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|
172 22G+3 0.00000 0.23147 0.00000 0.00000 0.21844
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|
173 22G-3 0.00000 0.31702 0.00000 0.00000 0.16212
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|
174 22G+4 0.01686 0.00000 0.11494 0.19979 0.00000
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175 22G-4 0.12120 0.00000 -0.14174 -0.18577 0.00000
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176 23H 0 0.00000 -0.00364 0.00000 0.00000 0.15023
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177 23H+1 -0.20335 0.00000 -0.16085 0.15419 0.00000
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178 23H-1 0.19253 0.00000 -0.13166 0.04730 0.00000
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179 23H+2 0.00000 0.08383 0.00000 0.00000 -0.10964
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180 23H-2 0.00000 0.43354 0.00000 0.00000 0.18998
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181 23H+3 0.05360 0.00000 0.31289 -0.04241 0.00000
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182 23H-3 0.01402 0.00000 -0.25153 -0.19820 0.00000
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183 23H+4 0.00000 -0.31018 0.00000 0.00000 0.11188
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184 23H-4 0.00000 0.02462 0.00000 0.00000 -0.15456
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185 23H+5 -0.20548 0.00000 -0.24612 0.10161 0.00000
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186 23H-5 0.04437 0.00000 0.13853 0.07900 0.00000
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187 3 H 1S 0.00725 0.00000 0.00122 0.00854 0.00000
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188 2S -0.26213 0.00000 -0.26410 -0.20456 0.00000
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189 3S 2.44088 0.00000 4.51448 3.92899 0.00000
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190 4S 2.09508 0.00000 2.31956 1.82154 0.00000
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191 5S -0.11811 0.00000 0.13669 -0.01901 0.00000
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192 6PX -0.03694 0.00000 0.00010 0.02254 0.00000
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|
193 6PY 0.00942 0.00000 0.01603 0.01241 0.00000
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194 6PZ 0.00000 0.02009 0.00000 0.00000 -0.01551
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195 7PX 0.36673 0.00000 0.10776 -0.15801 0.00000
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196 7PY -0.07410 0.00000 -0.13684 -0.07279 0.00000
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197 7PZ 0.00000 -0.15073 0.00000 0.00000 0.14584
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198 8PX -1.71974 0.00000 -2.29233 -1.34775 0.00000
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199 8PY 0.28995 0.00000 0.53834 -0.09039 0.00000
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200 8PZ 0.00000 0.27248 0.00000 0.00000 -0.54605
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201 9PX -1.22017 0.00000 -1.11123 -0.67288 0.00000
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202 9PY 0.11246 0.00000 0.15080 0.01067 0.00000
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203 9PZ 0.00000 0.21900 0.00000 0.00000 -0.33441
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204 10D 0 0.03730 0.00000 0.03336 0.01067 0.00000
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205 10D+1 0.00000 0.00524 0.00000 0.00000 -0.02434
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206 10D-1 0.00000 -0.02669 0.00000 0.00000 -0.02109
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207 10D+2 0.00409 0.00000 -0.04044 -0.05857 0.00000
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208 10D-2 -0.00133 0.00000 0.00598 -0.02870 0.00000
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209 11D 0 -0.25151 0.00000 -0.29156 -0.11760 0.00000
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210 11D+1 0.00000 -0.02718 0.00000 0.00000 0.14213
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211 11D-1 0.00000 0.16371 0.00000 0.00000 0.14156
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212 11D+2 -0.04810 0.00000 0.38288 0.49764 0.00000
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213 11D-2 0.01665 0.00000 -0.05714 0.18254 0.00000
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214 12D 0 -0.20024 0.00000 -0.13610 0.30480 0.00000
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215 12D+1 0.00000 -0.11249 0.00000 0.00000 0.27598
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216 12D-1 0.00000 0.26905 0.00000 0.00000 -0.05923
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217 12D+2 0.91149 0.00000 0.53623 -0.07714 0.00000
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218 12D-2 -0.30093 0.00000 -0.25325 -0.16301 0.00000
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219 13F 0 0.00000 0.00062 0.00000 0.00000 0.00702
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220 13F+1 -0.01458 0.00000 0.00874 0.03360 0.00000
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221 13F-1 0.00301 0.00000 -0.00546 0.00097 0.00000
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222 13F+2 0.00000 -0.00188 0.00000 0.00000 -0.01278
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223 13F-2 0.00000 0.02764 0.00000 0.00000 -0.00023
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224 13F+3 0.00396 0.00000 0.00299 -0.01887 0.00000
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225 13F-3 -0.01985 0.00000 0.00210 -0.03921 0.00000
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226 14F 0 0.00000 -0.00698 0.00000 0.00000 0.07298
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227 14F+1 0.24137 0.00000 0.08836 -0.31320 0.00000
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228 14F-1 -0.03462 0.00000 0.02679 0.00048 0.00000
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229 14F+2 0.00000 0.02045 0.00000 0.00000 0.06003
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230 14F-2 0.00000 -0.36067 0.00000 0.00000 -0.04436
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231 14F+3 -0.24689 0.00000 -0.29959 0.04956 0.00000
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232 14F-3 0.27389 0.00000 0.14714 0.28288 0.00000
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233 15G 0 -0.00209 0.00000 0.00486 -0.00015 0.00000
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234 15G+1 0.00000 0.00152 0.00000 0.00000 -0.01354
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235 15G-1 0.00000 -0.00276 0.00000 0.00000 -0.00551
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236 15G+2 -0.00196 0.00000 -0.00394 -0.00332 0.00000
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237 15G-2 -0.00209 0.00000 0.00555 -0.00635 0.00000
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238 15G+3 0.00000 0.00794 0.00000 0.00000 0.01359
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239 15G-3 0.00000 0.01038 0.00000 0.00000 0.01084
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240 15G+4 0.01206 0.00000 0.01060 0.01419 0.00000
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241 15G-4 0.00010 0.00000 -0.00703 0.02031 0.00000
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242 4 H 1S 0.00408 0.00000 -0.00129 -0.00115 0.00000
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243 2S -0.19399 0.00000 -0.13141 -0.53362 0.00000
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244 3S 12.07136 0.00000 9.91327 11.34054 0.00000
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245 4S 5.52398 0.00000 6.62740 5.35619 0.00000
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246 5S -0.33027 0.00000 -0.24340 -0.28911 0.00000
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247 6PX -0.02391 0.00000 0.04825 0.01998 0.00000
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248 6PY 0.02050 0.00000 -0.02101 0.00055 0.00000
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249 6PZ 0.00000 -0.02506 0.00000 0.00000 0.04464
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250 7PX 0.10596 0.00000 -0.49792 -0.23219 0.00000
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251 7PY -0.15391 0.00000 0.20322 0.03455 0.00000
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252 7PZ 0.00000 0.21534 0.00000 0.00000 -0.41263
|
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253 8PX 5.30255 0.00000 4.83390 4.70610 0.00000
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254 8PY -0.92304 0.00000 -1.65632 -1.79745 0.00000
|
|
255 8PZ 0.00000 -1.01278 0.00000 0.00000 1.47993
|
|
256 9PX 2.66559 0.00000 3.03709 1.91963 0.00000
|
|
257 9PY -0.17083 0.00000 -1.13412 -1.21990 0.00000
|
|
258 9PZ 0.00000 -0.79243 0.00000 0.00000 1.29544
|
|
259 10D 0 -0.02813 0.00000 -0.02605 -0.00553 0.00000
|
|
260 10D+1 0.00000 0.00585 0.00000 0.00000 0.02387
|
|
261 10D-1 0.00000 0.00395 0.00000 0.00000 0.07632
|
|
262 10D+2 -0.05117 0.00000 -0.00444 0.01128 0.00000
|
|
263 10D-2 0.04361 0.00000 0.01488 0.01188 0.00000
|
|
264 11D 0 -0.02601 0.00000 0.11913 -0.12410 0.00000
|
|
265 11D+1 0.00000 -0.07426 0.00000 0.00000 -0.11870
|
|
266 11D-1 0.00000 -0.01229 0.00000 0.00000 -0.56163
|
|
267 11D+2 0.64581 0.00000 0.15155 0.14739 0.00000
|
|
268 11D-2 -0.49752 0.00000 -0.13970 -0.28360 0.00000
|
|
269 12D 0 0.08764 0.00000 -0.28794 -0.65790 0.00000
|
|
270 12D+1 0.00000 -0.53044 0.00000 0.00000 1.23518
|
|
271 12D-1 0.00000 -0.53790 0.00000 0.00000 -0.58432
|
|
272 12D+2 0.73751 0.00000 1.21891 -0.06191 0.00000
|
|
273 12D-2 -0.19813 0.00000 -1.24531 -0.00930 0.00000
|
|
274 13F 0 0.00000 0.01121 0.00000 0.00000 -0.00738
|
|
275 13F+1 -0.07192 0.00000 -0.04823 -0.02234 0.00000
|
|
276 13F-1 0.02116 0.00000 0.02199 0.02516 0.00000
|
|
277 13F+2 0.00000 -0.00673 0.00000 0.00000 0.02822
|
|
278 13F-2 0.00000 0.04895 0.00000 0.00000 0.04115
|
|
279 13F+3 0.02002 0.00000 0.00390 0.05055 0.00000
|
|
280 13F-3 0.00696 0.00000 0.02305 -0.07703 0.00000
|
|
281 14F 0 0.00000 0.02189 0.00000 0.00000 -0.25612
|
|
282 14F+1 0.61950 0.00000 0.34532 0.05222 0.00000
|
|
283 14F-1 -0.19789 0.00000 -0.15183 -0.19548 0.00000
|
|
284 14F+2 0.00000 -0.08180 0.00000 0.00000 0.01161
|
|
285 14F-2 0.00000 -0.50392 0.00000 0.00000 -0.75332
|
|
286 14F+3 0.02202 0.00000 0.10925 -0.41922 0.00000
|
|
287 14F-3 -0.25329 0.00000 -0.52673 0.61998 0.00000
|
|
288 15G 0 -0.00957 0.00000 0.00140 -0.00253 0.00000
|
|
289 15G+1 0.00000 0.00348 0.00000 0.00000 -0.01589
|
|
290 15G-1 0.00000 -0.00118 0.00000 0.00000 -0.00053
|
|
291 15G+2 0.01144 0.00000 -0.00093 0.00653 0.00000
|
|
292 15G-2 -0.00203 0.00000 0.00637 0.00564 0.00000
|
|
293 15G+3 0.00000 -0.00864 0.00000 0.00000 0.00344
|
|
294 15G-3 0.00000 -0.00104 0.00000 0.00000 -0.01597
|
|
295 15G+4 0.00227 0.00000 0.00060 0.00062 0.00000
|
|
296 15G-4 0.00629 0.00000 -0.00690 0.00724 0.00000
|
|
297 5 H 1S 0.00572 0.00493 0.00209 -0.00139 -0.00389
|
|
298 2S -0.09471 -0.02358 -0.26173 0.04729 0.31491
|
|
299 3S -5.04954 2.09485 -5.96235 -2.24774 -5.48205
|
|
300 4S -3.26188 1.08725 -0.49107 -1.01635 -2.70419
|
|
301 5S 0.20646 0.01486 0.04326 0.19767 0.12951
|
|
302 6PX 0.01884 0.00258 -0.00839 -0.00379 -0.04079
|
|
303 6PY -0.01866 -0.05923 0.01897 0.01454 0.02131
|
|
304 6PZ 0.04296 0.00342 -0.03308 -0.04447 -0.00790
|
|
305 7PX -0.20187 0.01291 0.02069 -0.01323 0.33402
|
|
306 7PY 0.13325 0.49338 -0.16752 -0.10747 -0.20441
|
|
307 7PZ -0.40354 0.01864 0.17338 0.36761 0.03676
|
|
308 8PX 1.71161 -0.42411 1.37233 1.28861 -0.12040
|
|
309 8PY 0.19497 -1.32296 1.02103 0.41307 1.27744
|
|
310 8PZ 2.63194 -0.57887 2.29251 0.20651 2.04946
|
|
311 9PX 0.46819 0.11500 0.34814 0.47273 -0.49091
|
|
312 9PY 0.81515 -0.76526 0.20551 0.53065 1.45538
|
|
313 9PZ 1.43798 -0.41559 0.09437 -0.29497 0.57456
|
|
314 10D 0 -0.01095 -0.01698 0.05648 0.02375 0.01900
|
|
315 10D+1 0.01400 -0.01409 0.05165 0.02442 0.00250
|
|
316 10D-1 -0.01653 -0.01794 0.02459 -0.03276 0.00738
|
|
317 10D+2 0.00266 -0.05096 0.01702 0.01067 0.04983
|
|
318 10D-2 -0.00382 0.00587 -0.00923 0.03533 -0.00118
|
|
319 11D 0 0.00851 0.11475 -0.55054 -0.23945 -0.25900
|
|
320 11D+1 -0.16424 0.08992 -0.51493 -0.32039 -0.12952
|
|
321 11D-1 0.10982 0.09423 -0.26672 0.17309 -0.17705
|
|
322 11D+2 -0.05660 0.37324 -0.13749 -0.11807 -0.36395
|
|
323 11D-2 0.00896 -0.06127 0.00547 -0.31102 -0.03237
|
|
324 12D 0 -0.53979 0.17534 -0.10427 0.74418 0.43368
|
|
325 12D+1 -0.89131 -0.02158 -0.36514 0.10770 0.38439
|
|
326 12D-1 -0.21129 0.67315 -0.40011 0.29858 -0.55546
|
|
327 12D+2 0.39202 -0.05663 -0.14241 0.09332 0.81929
|
|
328 12D-2 0.03141 0.77250 0.49105 -0.68084 0.33963
|
|
329 13F 0 0.02219 0.01733 -0.00079 -0.01553 0.04202
|
|
330 13F+1 -0.00800 0.00534 -0.01242 0.03235 0.02366
|
|
331 13F-1 0.01335 0.01226 -0.03133 0.03383 0.01983
|
|
332 13F+2 0.03326 0.01757 -0.00854 0.02596 -0.00408
|
|
333 13F-2 0.01534 0.01543 0.03127 -0.01010 0.03669
|
|
334 13F+3 0.02724 0.01074 -0.01368 0.01877 -0.01053
|
|
335 13F-3 0.03152 0.03700 0.02040 -0.00978 0.01000
|
|
336 14F 0 -0.12285 -0.11891 0.06864 -0.04611 -0.49147
|
|
337 14F+1 0.34741 -0.02867 0.33379 -0.29100 -0.27103
|
|
338 14F-1 -0.15865 -0.31992 0.49185 -0.56619 -0.01201
|
|
339 14F+2 -0.20440 -0.11579 0.17339 -0.14268 -0.17632
|
|
340 14F-2 -0.12379 -0.33031 -0.24315 0.25667 -0.33443
|
|
341 14F+3 -0.21778 -0.08115 0.19247 -0.26725 0.04485
|
|
342 14F-3 -0.29227 -0.45358 -0.19256 0.20901 -0.17765
|
|
343 15G 0 0.00012 -0.00257 0.00277 0.00314 0.00356
|
|
344 15G+1 -0.00862 -0.00568 0.00200 0.00682 0.00897
|
|
345 15G-1 0.00115 0.00795 0.00039 0.01352 0.00395
|
|
346 15G+2 -0.00483 -0.00475 0.00093 -0.00789 0.00943
|
|
347 15G-2 -0.00135 0.00838 0.00087 0.00641 0.00005
|
|
348 15G+3 -0.00136 -0.00606 -0.00413 0.00683 0.00622
|
|
349 15G-3 -0.00093 0.00278 -0.00189 0.00085 0.00503
|
|
350 15G+4 0.00095 -0.00070 -0.00227 0.00281 -0.00336
|
|
351 15G-4 -0.00144 -0.00102 -0.00305 -0.00259 0.00260
|
|
352 6 H 1S 0.00572 -0.00493 0.00209 -0.00139 0.00389
|
|
353 2S -0.09471 0.02358 -0.26173 0.04729 -0.31491
|
|
354 3S -5.04954 -2.09485 -5.96235 -2.24774 5.48205
|
|
355 4S -3.26188 -1.08725 -0.49107 -1.01635 2.70419
|
|
356 5S 0.20646 -0.01486 0.04326 0.19767 -0.12951
|
|
357 6PX 0.01884 -0.00258 -0.00839 -0.00379 0.04079
|
|
358 6PY -0.01866 0.05923 0.01897 0.01454 -0.02131
|
|
359 6PZ -0.04296 0.00342 0.03308 0.04447 -0.00790
|
|
360 7PX -0.20187 -0.01291 0.02069 -0.01323 -0.33402
|
|
361 7PY 0.13325 -0.49338 -0.16752 -0.10747 0.20441
|
|
362 7PZ 0.40354 0.01864 -0.17338 -0.36761 0.03676
|
|
363 8PX 1.71161 0.42411 1.37233 1.28861 0.12040
|
|
364 8PY 0.19497 1.32296 1.02103 0.41307 -1.27744
|
|
365 8PZ -2.63194 -0.57887 -2.29251 -0.20651 2.04946
|
|
366 9PX 0.46819 -0.11500 0.34814 0.47273 0.49091
|
|
367 9PY 0.81515 0.76526 0.20551 0.53065 -1.45538
|
|
368 9PZ -1.43798 -0.41559 -0.09437 0.29497 0.57456
|
|
369 10D 0 -0.01095 0.01698 0.05648 0.02375 -0.01900
|
|
370 10D+1 -0.01400 -0.01409 -0.05165 -0.02442 0.00250
|
|
371 10D-1 0.01653 -0.01794 -0.02459 0.03276 0.00738
|
|
372 10D+2 0.00266 0.05096 0.01702 0.01067 -0.04983
|
|
373 10D-2 -0.00382 -0.00587 -0.00923 0.03533 0.00118
|
|
374 11D 0 0.00851 -0.11475 -0.55054 -0.23945 0.25900
|
|
375 11D+1 0.16424 0.08992 0.51493 0.32039 -0.12952
|
|
376 11D-1 -0.10982 0.09423 0.26672 -0.17309 -0.17705
|
|
377 11D+2 -0.05660 -0.37324 -0.13749 -0.11807 0.36395
|
|
378 11D-2 0.00896 0.06127 0.00547 -0.31102 0.03237
|
|
379 12D 0 -0.53979 -0.17534 -0.10427 0.74418 -0.43368
|
|
380 12D+1 0.89131 -0.02158 0.36514 -0.10770 0.38439
|
|
381 12D-1 0.21129 0.67315 0.40011 -0.29858 -0.55546
|
|
382 12D+2 0.39202 0.05663 -0.14241 0.09332 -0.81929
|
|
383 12D-2 0.03141 -0.77250 0.49105 -0.68084 -0.33963
|
|
384 13F 0 -0.02219 0.01733 0.00079 0.01553 0.04202
|
|
385 13F+1 -0.00800 -0.00534 -0.01242 0.03235 -0.02366
|
|
386 13F-1 0.01335 -0.01226 -0.03133 0.03383 -0.01983
|
|
387 13F+2 -0.03326 0.01757 0.00854 -0.02596 -0.00408
|
|
388 13F-2 -0.01534 0.01543 -0.03127 0.01010 0.03669
|
|
389 13F+3 0.02724 -0.01074 -0.01368 0.01877 0.01053
|
|
390 13F-3 0.03152 -0.03700 0.02040 -0.00978 -0.01000
|
|
391 14F 0 0.12285 -0.11891 -0.06864 0.04611 -0.49147
|
|
392 14F+1 0.34741 0.02867 0.33379 -0.29100 0.27103
|
|
393 14F-1 -0.15865 0.31992 0.49185 -0.56619 0.01201
|
|
394 14F+2 0.20440 -0.11579 -0.17339 0.14268 -0.17632
|
|
395 14F-2 0.12379 -0.33031 0.24315 -0.25667 -0.33443
|
|
396 14F+3 -0.21778 0.08115 0.19247 -0.26725 -0.04485
|
|
397 14F-3 -0.29227 0.45358 -0.19256 0.20901 0.17765
|
|
398 15G 0 0.00012 0.00257 0.00277 0.00314 -0.00356
|
|
399 15G+1 0.00862 -0.00568 -0.00200 -0.00682 0.00897
|
|
400 15G-1 -0.00115 0.00795 -0.00039 -0.01352 0.00395
|
|
401 15G+2 -0.00483 0.00475 0.00093 -0.00789 -0.00943
|
|
402 15G-2 -0.00135 -0.00838 0.00087 0.00641 -0.00005
|
|
403 15G+3 0.00136 -0.00606 0.00413 -0.00683 0.00622
|
|
404 15G-3 0.00093 0.00278 0.00189 -0.00085 0.00503
|
|
405 15G+4 0.00095 0.00070 -0.00227 0.00281 0.00336
|
|
406 15G-4 -0.00144 0.00102 -0.00305 -0.00259 -0.00260
|
|
221 222 223 224 225
|
|
V V V V V
|
|
Eigenvalues -- 6.06128 6.09067 6.10199 6.13924 6.14180
|
|
1 1 C 1S 0.01231 0.02590 0.00000 0.00000 -0.00714
|
|
2 2S -0.02160 -0.00734 0.00000 0.00000 0.20441
|
|
3 3S 0.14548 0.60947 0.00000 0.00000 1.41484
|
|
4 4S -2.07017 -5.37482 0.00000 0.00000 -12.03105
|
|
5 5S 5.64760 8.48703 0.00000 0.00000 22.11751
|
|
6 6S 0.68536 0.76652 0.00000 0.00000 1.02468
|
|
7 7PX 0.03109 0.00575 0.00000 0.00000 0.01039
|
|
8 7PY -0.00257 -0.03774 0.00000 0.00000 -0.00111
|
|
9 7PZ 0.00000 0.00000 -0.01610 0.01470 0.00000
|
|
10 8PX -0.60918 -0.21109 0.00000 0.00000 0.09689
|
|
11 8PY -0.03711 -0.06213 0.00000 0.00000 -0.20422
|
|
12 8PZ 0.00000 0.00000 -0.16765 0.96224 0.00000
|
|
13 9PX 2.92129 -0.41225 0.00000 0.00000 1.46968
|
|
14 9PY 0.11585 -1.02107 0.00000 0.00000 -1.69280
|
|
15 9PZ 0.00000 0.00000 -1.14706 -3.55766 0.00000
|
|
16 10PX 2.82308 1.30684 0.00000 0.00000 -0.46014
|
|
17 10PY -0.77810 0.31608 0.00000 0.00000 -4.08141
|
|
18 10PZ 0.00000 0.00000 1.43755 -3.58482 0.00000
|
|
19 11PX 0.24742 -0.10498 0.00000 0.00000 0.05593
|
|
20 11PY -0.01831 -0.31568 0.00000 0.00000 -0.39960
|
|
21 11PZ 0.00000 0.00000 -0.07015 -0.03084 0.00000
|
|
22 12D 0 -0.00535 0.02456 0.00000 0.00000 -0.01794
|
|
23 12D+1 0.00000 0.00000 0.01309 -0.01630 0.00000
|
|
24 12D-1 0.00000 0.00000 0.02607 -0.02120 0.00000
|
|
25 12D+2 0.00266 0.00407 0.00000 0.00000 -0.00465
|
|
26 12D-2 0.01726 0.00120 0.00000 0.00000 -0.01627
|
|
27 13D 0 -0.43039 -0.28822 0.00000 0.00000 0.23242
|
|
28 13D+1 0.00000 0.00000 -0.10426 0.63024 0.00000
|
|
29 13D-1 0.00000 0.00000 -0.34254 0.13495 0.00000
|
|
30 13D+2 0.25880 0.16371 0.00000 0.00000 0.13447
|
|
31 13D-2 0.20803 0.16288 0.00000 0.00000 0.10863
|
|
32 14D 0 3.88613 1.20069 0.00000 0.00000 0.06179
|
|
33 14D+1 0.00000 0.00000 1.02381 -4.41296 0.00000
|
|
34 14D-1 0.00000 0.00000 0.11649 -1.85992 0.00000
|
|
35 14D+2 -2.23713 -0.26817 0.00000 0.00000 0.79714
|
|
36 14D-2 -0.43520 -0.70201 0.00000 0.00000 0.50321
|
|
37 15D 0 2.62273 0.70496 0.00000 0.00000 -0.91092
|
|
38 15D+1 0.00000 0.00000 0.49238 -2.73096 0.00000
|
|
39 15D-1 0.00000 0.00000 -0.69721 0.47398 0.00000
|
|
40 15D+2 -1.56074 -0.63768 0.00000 0.00000 -1.07016
|
|
41 15D-2 -1.52054 -1.11419 0.00000 0.00000 0.55433
|
|
42 16F 0 0.00000 0.00000 0.05487 -0.01158 0.00000
|
|
43 16F+1 -0.00991 -0.03061 0.00000 0.00000 -0.10729
|
|
44 16F-1 -0.01171 -0.01206 0.00000 0.00000 -0.06741
|
|
45 16F+2 0.00000 0.00000 -0.02198 0.00452 0.00000
|
|
46 16F-2 0.00000 0.00000 -0.01037 0.05341 0.00000
|
|
47 16F+3 -0.00279 0.00727 0.00000 0.00000 0.02031
|
|
48 16F-3 0.01126 -0.01076 0.00000 0.00000 -0.08866
|
|
49 17F 0 0.00000 0.00000 -0.64672 0.10609 0.00000
|
|
50 17F+1 0.20705 0.00488 0.00000 0.00000 0.42074
|
|
51 17F-1 0.18059 -0.08002 0.00000 0.00000 0.64509
|
|
52 17F+2 0.00000 0.00000 0.36776 -0.10260 0.00000
|
|
53 17F-2 0.00000 0.00000 -0.20886 -0.47705 0.00000
|
|
54 17F+3 0.27232 0.00270 0.00000 0.00000 -0.03771
|
|
55 17F-3 -0.12695 0.13118 0.00000 0.00000 0.63230
|
|
56 18F 0 0.00000 0.00000 0.08806 -0.18474 0.00000
|
|
57 18F+1 0.42589 -0.27654 0.00000 0.00000 1.17045
|
|
58 18F-1 0.66913 0.88781 0.00000 0.00000 1.96498
|
|
59 18F+2 0.00000 0.00000 -1.11314 -0.29588 0.00000
|
|
60 18F-2 0.00000 0.00000 -0.07472 -0.79666 0.00000
|
|
61 18F+3 0.90960 -0.59589 0.00000 0.00000 -0.03758
|
|
62 18F-3 0.01790 0.52584 0.00000 0.00000 1.91578
|
|
63 19G 0 -0.01540 -0.01485 0.00000 0.00000 0.00676
|
|
64 19G+1 0.00000 0.00000 0.02938 -0.00059 0.00000
|
|
65 19G-1 0.00000 0.00000 -0.01215 -0.00797 0.00000
|
|
66 19G+2 0.00647 -0.01393 0.00000 0.00000 -0.00681
|
|
67 19G-2 0.00878 0.01187 0.00000 0.00000 0.02671
|
|
68 19G+3 0.00000 0.00000 -0.02376 0.00527 0.00000
|
|
69 19G-3 0.00000 0.00000 0.02422 -0.00705 0.00000
|
|
70 19G+4 -0.01845 -0.02040 0.00000 0.00000 -0.00105
|
|
71 19G-4 0.00831 -0.00095 0.00000 0.00000 -0.02685
|
|
72 20G 0 0.65633 0.34569 0.00000 0.00000 -0.08616
|
|
73 20G+1 0.00000 0.00000 -0.45232 0.15841 0.00000
|
|
74 20G-1 0.00000 0.00000 -0.35042 0.15726 0.00000
|
|
75 20G+2 0.10316 0.22472 0.00000 0.00000 0.44732
|
|
76 20G-2 0.02226 -0.43740 0.00000 0.00000 -0.03266
|
|
77 20G+3 0.00000 0.00000 0.44831 -0.34074 0.00000
|
|
78 20G-3 0.00000 0.00000 0.18146 -0.26050 0.00000
|
|
79 20G+4 -0.37659 0.20093 0.00000 0.00000 0.30596
|
|
80 20G-4 -0.01124 -0.01767 0.00000 0.00000 0.40807
|
|
81 21H 0 0.00000 0.00000 -0.01251 0.04587 0.00000
|
|
82 21H+1 0.07379 0.04658 0.00000 0.00000 -0.00980
|
|
83 21H-1 0.05526 0.02132 0.00000 0.00000 0.03537
|
|
84 21H+2 0.00000 0.00000 0.08091 -0.05583 0.00000
|
|
85 21H-2 0.00000 0.00000 0.00810 -0.01824 0.00000
|
|
86 21H+3 -0.01163 0.01769 0.00000 0.00000 0.03924
|
|
87 21H-3 -0.00465 0.02557 0.00000 0.00000 0.03368
|
|
88 21H+4 0.00000 0.00000 -0.01328 0.03582 0.00000
|
|
89 21H-4 0.00000 0.00000 -0.03234 -0.02382 0.00000
|
|
90 21H+5 0.08518 0.02868 0.00000 0.00000 -0.07507
|
|
91 21H-5 -0.00791 0.02487 0.00000 0.00000 0.02802
|
|
92 2 S 1S 0.01292 -0.01147 0.00000 0.00000 -0.02954
|
|
93 2S -0.00740 0.00885 0.00000 0.00000 -0.00092
|
|
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348 15G+3 0.00235 -0.00140 0.00044 -0.00314 -0.00527
|
|
349 15G-3 -0.00477 0.00216 0.00564 -0.00723 0.00220
|
|
350 15G+4 0.00118 0.00369 -0.00615 0.00315 0.00176
|
|
351 15G-4 -0.00122 0.00170 0.00407 -0.00093 0.00159
|
|
352 6 H 1S 0.00324 0.00290 0.00372 0.00323 0.00464
|
|
353 2S 0.12821 0.32022 -0.21605 0.12848 0.08007
|
|
354 3S -3.49411 -1.77400 0.17876 -5.09594 -5.60284
|
|
355 4S -1.37567 -0.58615 0.12514 -2.35825 1.39554
|
|
356 5S -0.02460 0.23572 -0.12304 0.15888 0.02891
|
|
357 6PX 0.05109 0.01665 0.00587 -0.03967 -0.00954
|
|
358 6PY 0.02070 -0.02339 0.00384 0.01130 -0.00793
|
|
359 6PZ 0.03167 -0.00845 0.00318 -0.00170 0.02135
|
|
360 7PX -0.44130 -0.12815 -0.08881 0.33345 0.08236
|
|
361 7PY -0.19319 0.16570 -0.03086 -0.10068 0.03332
|
|
362 7PZ -0.25146 0.03709 -0.02812 0.04292 -0.14855
|
|
363 8PX 1.63816 0.47429 0.53610 -0.10139 0.23414
|
|
364 8PY 1.15055 0.21282 0.24600 0.90202 0.84997
|
|
365 8PZ -0.16487 0.16659 0.12784 -1.93588 -1.17789
|
|
366 9PX 1.22723 0.49867 0.39864 -0.53214 -0.43349
|
|
367 9PY 0.97409 0.04435 -0.26716 0.82434 -0.59809
|
|
368 9PZ 0.65018 0.32394 -0.24451 -0.63444 0.36455
|
|
369 10D 0 0.03717 -0.02105 -0.01912 0.00926 0.00981
|
|
370 10D+1 0.02251 0.03048 -0.02740 -0.00452 0.00336
|
|
371 10D-1 0.01998 -0.00784 0.01739 -0.00394 -0.04038
|
|
372 10D+2 -0.01042 -0.01099 -0.02557 0.02561 0.00205
|
|
373 10D-2 0.03361 0.01156 0.01982 -0.01666 0.00771
|
|
374 11D 0 -0.29832 0.17657 0.17926 -0.17739 -0.17015
|
|
375 11D+1 -0.09910 -0.20493 0.20850 0.13954 0.08206
|
|
376 11D-1 -0.09604 0.12107 -0.13743 0.13416 0.42309
|
|
377 11D+2 0.06058 0.10668 0.16932 -0.19057 0.01440
|
|
378 11D-2 -0.28915 -0.12031 -0.13317 0.07610 -0.11654
|
|
379 12D 0 1.05548 0.52727 0.05388 -0.27680 0.36700
|
|
380 12D+1 0.34884 -0.30313 0.47772 -0.46484 -1.05781
|
|
381 12D-1 0.23478 -0.30219 0.15022 0.11975 -0.14529
|
|
382 12D+2 -0.15577 -0.16566 -0.66895 0.47736 -0.37685
|
|
383 12D-2 -0.42571 -0.08151 -0.29212 0.14458 0.36489
|
|
384 13F 0 0.02349 0.01208 0.00483 -0.01262 -0.00504
|
|
385 13F+1 0.01612 0.03006 -0.00958 0.01770 0.06101
|
|
386 13F-1 0.01725 0.02234 -0.00169 0.01976 -0.00114
|
|
387 13F+2 -0.00958 -0.00760 0.01432 0.00875 0.01436
|
|
388 13F-2 -0.01489 -0.01691 0.01643 -0.02297 -0.01235
|
|
389 13F+3 0.00796 -0.00694 -0.00934 -0.00616 -0.02551
|
|
390 13F-3 -0.00063 0.00053 -0.01061 0.00102 0.00231
|
|
391 14F 0 0.06970 0.03122 0.14615 -0.06353 0.05097
|
|
392 14F+1 -0.19013 -0.43908 0.15529 -0.18241 -0.75478
|
|
393 14F-1 -0.21736 -0.26775 -0.05050 -0.06902 0.11973
|
|
394 14F+2 0.02096 0.12802 -0.33244 0.05251 -0.03983
|
|
395 14F-2 -0.06294 0.12098 -0.29163 0.27670 0.12652
|
|
396 14F+3 -0.15615 0.02584 0.12285 0.01398 0.25651
|
|
397 14F-3 0.13337 0.01808 0.21910 -0.06617 -0.07489
|
|
398 15G 0 0.01012 0.00181 0.00637 -0.00638 -0.00065
|
|
399 15G+1 -0.00881 -0.00852 0.00057 -0.00017 -0.00368
|
|
400 15G-1 -0.00745 -0.00438 -0.00374 0.00111 -0.00289
|
|
401 15G+2 -0.00161 0.00174 -0.00893 0.00680 0.00757
|
|
402 15G-2 -0.00360 0.00089 -0.00426 0.00470 0.00980
|
|
403 15G+3 -0.00235 0.00140 0.00044 -0.00314 0.00527
|
|
404 15G-3 0.00477 -0.00216 0.00564 -0.00723 -0.00220
|
|
405 15G+4 0.00118 0.00369 0.00615 -0.00315 0.00176
|
|
406 15G-4 -0.00122 0.00170 -0.00407 0.00093 0.00159
|
|
226 227 228 229 230
|
|
V V V V V
|
|
Eigenvalues -- 6.18598 6.20232 6.22171 6.29578 6.37768
|
|
1 1 C 1S 0.00490 0.00000 0.05118 -0.00495 0.00000
|
|
2 2S -0.00361 0.00000 -0.22949 -0.01553 0.00000
|
|
3 3S 0.12982 0.00000 -0.19500 -0.19332 0.00000
|
|
4 4S -0.47434 0.00000 0.21337 2.13627 0.00000
|
|
5 5S -1.00855 0.00000 -2.27096 -4.55047 0.00000
|
|
6 6S -0.39020 0.00000 0.13654 -0.39348 0.00000
|
|
7 7PX 0.03002 0.00000 -0.00171 0.02047 0.00000
|
|
8 7PY -0.02353 0.00000 -0.09764 0.01659 0.00000
|
|
9 7PZ 0.00000 0.00285 0.00000 0.00000 0.04376
|
|
10 8PX -0.73706 0.00000 -1.09889 0.45970 0.00000
|
|
11 8PY -0.09439 0.00000 -0.56318 -0.11572 0.00000
|
|
12 8PZ 0.00000 -0.76643 0.00000 0.00000 -0.33140
|
|
13 9PX 6.03126 0.00000 7.21853 0.49641 0.00000
|
|
14 9PY -0.28968 0.00000 0.43975 -0.65189 0.00000
|
|
15 9PZ 0.00000 4.35113 0.00000 0.00000 5.83363
|
|
16 10PX 3.34430 0.00000 2.91843 -0.41124 0.00000
|
|
17 10PY 1.11026 0.00000 5.83988 0.84809 0.00000
|
|
18 10PZ 0.00000 1.62981 0.00000 0.00000 2.20798
|
|
19 11PX -0.19934 0.00000 0.35531 -0.04001 0.00000
|
|
20 11PY 0.08307 0.00000 0.38658 0.22778 0.00000
|
|
21 11PZ 0.00000 0.33151 0.00000 0.00000 -0.07298
|
|
22 12D 0 0.00199 0.00000 0.03409 -0.01618 0.00000
|
|
23 12D+1 0.00000 -0.00415 0.00000 0.00000 -0.01300
|
|
24 12D-1 0.00000 -0.00902 0.00000 0.00000 -0.01829
|
|
25 12D+2 0.02148 0.00000 0.06424 -0.00253 0.00000
|
|
26 12D-2 0.00755 0.00000 0.00791 -0.00717 0.00000
|
|
27 13D 0 0.05392 0.00000 -0.73036 0.37563 0.00000
|
|
28 13D+1 0.00000 -0.45375 0.00000 0.00000 0.17863
|
|
29 13D-1 0.00000 0.30557 0.00000 0.00000 -0.02911
|
|
30 13D+2 -0.05387 0.00000 -0.50442 -0.09294 0.00000
|
|
31 13D-2 -0.53107 0.00000 -0.11203 -0.04475 0.00000
|
|
32 14D 0 1.90856 0.00000 5.03257 -1.20726 0.00000
|
|
33 14D+1 0.00000 2.67583 0.00000 0.00000 -0.15283
|
|
34 14D-1 0.00000 1.04443 0.00000 0.00000 0.99881
|
|
35 14D+2 -1.20411 0.00000 0.34169 1.50270 0.00000
|
|
36 14D-2 3.38928 0.00000 2.33556 -0.68911 0.00000
|
|
37 15D 0 0.64616 0.00000 2.26387 -0.88641 0.00000
|
|
38 15D+1 0.00000 1.49057 0.00000 0.00000 -0.54187
|
|
39 15D-1 0.00000 -0.08464 0.00000 0.00000 0.57311
|
|
40 15D+2 -0.28211 0.00000 0.95946 1.15670 0.00000
|
|
41 15D-2 1.17431 0.00000 0.29038 0.23010 0.00000
|
|
42 16F 0 0.00000 0.00493 0.00000 0.00000 0.00397
|
|
43 16F+1 -0.01161 0.00000 0.01624 0.00280 0.00000
|
|
44 16F-1 -0.02278 0.00000 0.01820 0.03608 0.00000
|
|
45 16F+2 0.00000 -0.02530 0.00000 0.00000 -0.00500
|
|
46 16F-2 0.00000 -0.02535 0.00000 0.00000 0.01569
|
|
47 16F+3 -0.01927 0.00000 -0.05169 0.00641 0.00000
|
|
48 16F-3 0.02420 0.00000 0.06830 -0.01457 0.00000
|
|
49 17F 0 0.00000 -0.09970 0.00000 0.00000 0.29950
|
|
50 17F+1 0.00998 0.00000 -0.30125 0.05420 0.00000
|
|
51 17F-1 0.28637 0.00000 0.04241 -0.30632 0.00000
|
|
52 17F+2 0.00000 0.28950 0.00000 0.00000 0.41918
|
|
53 17F-2 0.00000 0.48611 0.00000 0.00000 0.21224
|
|
54 17F+3 0.45167 0.00000 0.66309 0.23670 0.00000
|
|
55 17F-3 -0.33558 0.00000 -0.69219 0.11530 0.00000
|
|
56 18F 0 0.00000 1.03078 0.00000 0.00000 0.24644
|
|
57 18F+1 -0.50945 0.00000 0.24687 -0.19921 0.00000
|
|
58 18F-1 0.60250 0.00000 0.41201 -0.01382 0.00000
|
|
59 18F+2 0.00000 0.29093 0.00000 0.00000 0.31024
|
|
60 18F-2 0.00000 0.33289 0.00000 0.00000 1.03902
|
|
61 18F+3 0.43204 0.00000 0.81411 -0.07546 0.00000
|
|
62 18F-3 -0.38845 0.00000 -1.00614 -0.60737 0.00000
|
|
63 19G 0 -0.00565 0.00000 0.03641 -0.00956 0.00000
|
|
64 19G+1 0.00000 -0.04288 0.00000 0.00000 0.04930
|
|
65 19G-1 0.00000 -0.02026 0.00000 0.00000 0.04289
|
|
66 19G+2 0.01809 0.00000 0.02546 0.08151 0.00000
|
|
67 19G-2 0.01516 0.00000 -0.05776 -0.01219 0.00000
|
|
68 19G+3 0.00000 0.02180 0.00000 0.00000 -0.00086
|
|
69 19G-3 0.00000 0.01177 0.00000 0.00000 0.03914
|
|
70 19G+4 -0.02813 0.00000 0.03630 0.02544 0.00000
|
|
71 19G-4 0.02424 0.00000 0.01472 0.04072 0.00000
|
|
72 20G 0 -0.43191 0.00000 -0.23394 -0.09177 0.00000
|
|
73 20G+1 0.00000 0.59739 0.00000 0.00000 0.43841
|
|
74 20G-1 0.00000 0.33715 0.00000 0.00000 -0.24231
|
|
75 20G+2 0.13804 0.00000 0.47648 -0.25399 0.00000
|
|
76 20G-2 -0.23021 0.00000 -0.26859 0.07500 0.00000
|
|
77 20G+3 0.00000 -0.24726 0.00000 0.00000 -0.50400
|
|
78 20G-3 0.00000 -0.08224 0.00000 0.00000 -0.20884
|
|
79 20G+4 0.29811 0.00000 -0.20969 -0.16331 0.00000
|
|
80 20G-4 0.09804 0.00000 0.67424 -0.16367 0.00000
|
|
81 21H 0 0.00000 -0.01850 0.00000 0.00000 0.11448
|
|
82 21H+1 0.00544 0.00000 0.05830 0.00455 0.00000
|
|
83 21H-1 -0.02993 0.00000 0.02526 -0.05571 0.00000
|
|
84 21H+2 0.00000 -0.01924 0.00000 0.00000 0.03982
|
|
85 21H-2 0.00000 0.01844 0.00000 0.00000 0.05971
|
|
86 21H+3 -0.01219 0.00000 0.04408 0.10057 0.00000
|
|
87 21H-3 0.04861 0.00000 0.02326 0.01438 0.00000
|
|
88 21H+4 0.00000 -0.02926 0.00000 0.00000 0.07853
|
|
89 21H-4 0.00000 0.05591 0.00000 0.00000 -0.02204
|
|
90 21H+5 -0.05109 0.00000 -0.07915 0.06796 0.00000
|
|
91 21H-5 0.02857 0.00000 -0.03902 -0.00069 0.00000
|
|
92 2 S 1S 0.04508 0.00000 0.11963 0.06288 0.00000
|
|
93 2S -0.00374 0.00000 -0.00162 -0.00973 0.00000
|
|
94 3S 0.58327 0.00000 1.60693 0.83085 0.00000
|
|
95 4S 1.36337 0.00000 4.26922 2.14956 0.00000
|
|
96 5S -2.12254 0.00000 -8.72311 -4.81195 0.00000
|
|
97 6S 2.59016 0.00000 10.57428 6.43981 0.00000
|
|
98 7S 0.85189 0.00000 4.24850 2.57566 0.00000
|
|
99 8PX 0.00391 0.00000 0.01135 0.00710 0.00000
|
|
100 8PY -0.00488 0.00000 -0.00004 -0.00125 0.00000
|
|
101 8PZ 0.00000 0.00595 0.00000 0.00000 -0.00095
|
|
102 9PX -0.03408 0.00000 -0.11265 -0.10475 0.00000
|
|
103 9PY 0.04105 0.00000 -0.00985 0.00653 0.00000
|
|
104 9PZ 0.00000 -0.03143 0.00000 0.00000 0.00338
|
|
105 10PX -0.26853 0.00000 -0.75770 -0.77734 0.00000
|
|
106 10PY 0.30121 0.00000 0.02313 0.03786 0.00000
|
|
107 10PZ 0.00000 -0.19676 0.00000 0.00000 0.00844
|
|
108 11PX 0.52187 0.00000 0.98794 1.24100 0.00000
|
|
109 11PY -0.61809 0.00000 -1.11528 -0.37759 0.00000
|
|
110 11PZ 0.00000 0.29131 0.00000 0.00000 0.11546
|
|
111 12PX 1.31032 0.00000 2.16646 2.95698 0.00000
|
|
112 12PY -0.30888 0.00000 7.19854 2.75431 0.00000
|
|
113 12PZ 0.00000 0.49899 0.00000 0.00000 -0.45401
|
|
114 13PX -0.05424 0.00000 0.07913 0.11949 0.00000
|
|
115 13PY 0.21185 0.00000 0.70798 0.32933 0.00000
|
|
116 13PZ 0.00000 -0.09120 0.00000 0.00000 0.03140
|
|
117 14D 0 -0.52000 0.00000 -2.17668 -1.05597 0.00000
|
|
118 14D+1 0.00000 0.24017 0.00000 0.00000 -0.00411
|
|
119 14D-1 0.00000 -0.04916 0.00000 0.00000 -0.11026
|
|
120 14D+2 -0.14461 0.00000 -2.23134 -0.03039 0.00000
|
|
121 14D-2 -0.84688 0.00000 0.57355 -0.03566 0.00000
|
|
122 15D 0 -0.39710 0.00000 -1.05700 -0.85536 0.00000
|
|
123 15D+1 0.00000 0.36991 0.00000 0.00000 -0.49168
|
|
124 15D-1 0.00000 -0.17681 0.00000 0.00000 0.23169
|
|
125 15D+2 -0.06601 0.00000 0.04257 0.99001 0.00000
|
|
126 15D-2 -0.37595 0.00000 -0.70302 0.02580 0.00000
|
|
127 16D 0 0.10863 0.00000 0.33969 0.20326 0.00000
|
|
128 16D+1 0.00000 -0.10105 0.00000 0.00000 0.15487
|
|
129 16D-1 0.00000 0.07383 0.00000 0.00000 -0.05682
|
|
130 16D+2 0.09867 0.00000 0.04290 -0.22982 0.00000
|
|
131 16D-2 0.05335 0.00000 0.17513 0.00736 0.00000
|
|
132 17D 0 0.02372 0.00000 0.03074 0.00198 0.00000
|
|
133 17D+1 0.00000 -0.01996 0.00000 0.00000 0.03546
|
|
134 17D-1 0.00000 0.02709 0.00000 0.00000 -0.01294
|
|
135 17D+2 0.05158 0.00000 0.05414 0.03286 0.00000
|
|
136 17D-2 -0.02477 0.00000 -0.00645 -0.01445 0.00000
|
|
137 18F 0 0.00000 -0.28929 0.00000 0.00000 0.29249
|
|
138 18F+1 -0.03604 0.00000 -0.28806 -0.29503 0.00000
|
|
139 18F-1 0.15784 0.00000 -0.68117 0.11253 0.00000
|
|
140 18F+2 0.00000 0.16861 0.00000 0.00000 0.02500
|
|
141 18F-2 0.00000 -0.15953 0.00000 0.00000 0.49554
|
|
142 18F+3 0.03082 0.00000 -0.28315 0.66402 0.00000
|
|
143 18F-3 -0.66225 0.00000 -0.71131 -0.46120 0.00000
|
|
144 19F 0 0.00000 -0.21703 0.00000 0.00000 0.12269
|
|
145 19F+1 -0.76784 0.00000 -0.38725 -0.30973 0.00000
|
|
146 19F-1 0.15482 0.00000 -0.32988 -0.20252 0.00000
|
|
147 19F+2 0.00000 0.08692 0.00000 0.00000 -0.84030
|
|
148 19F-2 0.00000 -0.80512 0.00000 0.00000 -0.18460
|
|
149 19F+3 -1.44060 0.00000 0.42936 0.57174 0.00000
|
|
150 19F-3 -0.60633 0.00000 -1.07434 -0.40594 0.00000
|
|
151 20F 0 0.00000 0.04668 0.00000 0.00000 -0.06568
|
|
152 20F+1 0.30850 0.00000 0.01438 -0.10799 0.00000
|
|
153 20F-1 0.00157 0.00000 0.14455 0.02733 0.00000
|
|
154 20F+2 0.00000 -0.00558 0.00000 0.00000 0.32753
|
|
155 20F-2 0.00000 0.39662 0.00000 0.00000 0.01805
|
|
156 20F+3 0.78066 0.00000 0.00686 0.05273 0.00000
|
|
157 20F-3 0.11889 0.00000 0.20201 0.18820 0.00000
|
|
158 21G 0 0.24301 0.00000 0.24308 -0.27139 0.00000
|
|
159 21G+1 0.00000 -0.27754 0.00000 0.00000 0.17001
|
|
160 21G-1 0.00000 -0.05422 0.00000 0.00000 0.19769
|
|
161 21G+2 -0.16835 0.00000 0.18784 -0.51834 0.00000
|
|
162 21G-2 0.47454 0.00000 -0.24331 0.34027 0.00000
|
|
163 21G+3 0.00000 0.40889 0.00000 0.00000 -1.06023
|
|
164 21G-3 0.00000 -0.39407 0.00000 0.00000 0.17881
|
|
165 21G+4 -0.73560 0.00000 0.28955 0.85140 0.00000
|
|
166 21G-4 -0.92752 0.00000 -0.31726 0.13695 0.00000
|
|
167 22G 0 0.20515 0.00000 0.09763 0.53367 0.00000
|
|
168 22G+1 0.00000 0.13622 0.00000 0.00000 0.15348
|
|
169 22G-1 0.00000 0.35063 0.00000 0.00000 -0.27945
|
|
170 22G+2 -0.05922 0.00000 -0.12358 0.41121 0.00000
|
|
171 22G-2 -0.43853 0.00000 0.39138 -0.37125 0.00000
|
|
172 22G+3 0.00000 -0.43995 0.00000 0.00000 0.70657
|
|
173 22G-3 0.00000 -0.27302 0.00000 0.00000 -0.51715
|
|
174 22G+4 0.18194 0.00000 0.25482 -0.16538 0.00000
|
|
175 22G-4 0.28975 0.00000 0.09038 -0.22538 0.00000
|
|
176 23H 0 0.00000 0.12858 0.00000 0.00000 -0.17005
|
|
177 23H+1 0.56783 0.00000 0.02656 -0.13484 0.00000
|
|
178 23H-1 0.00590 0.00000 0.11294 -0.21504 0.00000
|
|
179 23H+2 0.00000 -0.01431 0.00000 0.00000 0.34073
|
|
180 23H-2 0.00000 0.44823 0.00000 0.00000 0.02612
|
|
181 23H+3 -0.03231 0.00000 0.13132 -0.25269 0.00000
|
|
182 23H-3 0.29108 0.00000 0.00570 -0.02748 0.00000
|
|
183 23H+4 0.00000 -0.11309 0.00000 0.00000 -0.42481
|
|
184 23H-4 0.00000 -0.56231 0.00000 0.00000 -0.41697
|
|
185 23H+5 -0.42151 0.00000 -0.02291 0.20879 0.00000
|
|
186 23H-5 -0.21756 0.00000 0.22793 0.11366 0.00000
|
|
187 3 H 1S 0.00249 0.00000 -0.00908 -0.00028 0.00000
|
|
188 2S 0.20053 0.00000 0.43540 0.29512 0.00000
|
|
189 3S -1.01327 0.00000 -2.61238 -3.61533 0.00000
|
|
190 4S -1.08220 0.00000 -1.19981 -1.99806 0.00000
|
|
191 5S 0.15869 0.00000 -0.05953 0.06667 0.00000
|
|
192 6PX 0.02350 0.00000 0.03271 0.00482 0.00000
|
|
193 6PY 0.08053 0.00000 0.03487 -0.04360 0.00000
|
|
194 6PZ 0.00000 -0.03730 0.00000 0.00000 0.01302
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195 7PX -0.21868 0.00000 -0.29123 -0.09426 0.00000
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196 7PY -0.67688 0.00000 -0.25385 0.37762 0.00000
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197 7PZ 0.00000 0.30929 0.00000 0.00000 -0.13742
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198 8PX 0.76190 0.00000 1.62289 1.65588 0.00000
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199 8PY 1.75536 0.00000 0.26082 -0.84300 0.00000
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200 8PZ 0.00000 -0.85066 0.00000 0.00000 0.92106
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201 9PX 0.56849 0.00000 0.26370 0.61034 0.00000
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202 9PY 0.84100 0.00000 -0.39383 -0.43678 0.00000
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203 9PZ 0.00000 -0.37655 0.00000 0.00000 0.26722
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204 10D 0 -0.05602 0.00000 -0.02484 -0.02055 0.00000
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205 10D+1 0.00000 -0.02618 0.00000 0.00000 0.04264
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206 10D-1 0.00000 -0.05118 0.00000 0.00000 -0.04192
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207 10D+2 0.00555 0.00000 0.07971 0.06883 0.00000
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208 10D-2 0.02263 0.00000 -0.01243 -0.01366 0.00000
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|
209 11D 0 0.38806 0.00000 0.17201 0.18220 0.00000
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|
210 11D+1 0.00000 0.16833 0.00000 0.00000 -0.29996
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211 11D-1 0.00000 0.36761 0.00000 0.00000 0.29664
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212 11D+2 -0.00718 0.00000 -0.57734 -0.56679 0.00000
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213 11D-2 -0.09948 0.00000 0.05917 0.08713 0.00000
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214 12D 0 0.37627 0.00000 0.07734 -0.06440 0.00000
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|
215 12D+1 0.00000 0.45198 0.00000 0.00000 -0.28751
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|
216 12D-1 0.00000 0.25958 0.00000 0.00000 0.17836
|
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217 12D+2 -0.15974 0.00000 0.34102 0.17048 0.00000
|
|
218 12D-2 -1.07108 0.00000 -0.24797 0.45276 0.00000
|
|
219 13F 0 0.00000 0.00826 0.00000 0.00000 -0.01649
|
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220 13F+1 0.05162 0.00000 -0.00781 -0.01403 0.00000
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|
221 13F-1 -0.01566 0.00000 0.00182 0.00476 0.00000
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222 13F+2 0.00000 0.01313 0.00000 0.00000 0.02846
|
|
223 13F-2 0.00000 0.07574 0.00000 0.00000 0.03738
|
|
224 13F+3 0.04038 0.00000 0.01605 0.00532 0.00000
|
|
225 13F-3 0.00354 0.00000 -0.02340 0.00287 0.00000
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|
226 14F 0 0.00000 0.00095 0.00000 0.00000 0.04161
|
|
227 14F+1 -0.59838 0.00000 0.07439 0.08526 0.00000
|
|
228 14F-1 0.05750 0.00000 -0.00204 -0.00751 0.00000
|
|
229 14F+2 0.00000 -0.25808 0.00000 0.00000 -0.07963
|
|
230 14F-2 0.00000 -0.70565 0.00000 0.00000 -0.40619
|
|
231 14F+3 -0.27519 0.00000 -0.12583 0.00126 0.00000
|
|
232 14F-3 0.28591 0.00000 0.31380 -0.14986 0.00000
|
|
233 15G 0 0.00155 0.00000 0.00315 -0.00142 0.00000
|
|
234 15G+1 0.00000 -0.00920 0.00000 0.00000 0.01509
|
|
235 15G-1 0.00000 0.00774 0.00000 0.00000 -0.00002
|
|
236 15G+2 0.00500 0.00000 -0.00187 -0.00009 0.00000
|
|
237 15G-2 0.01362 0.00000 -0.00391 -0.00113 0.00000
|
|
238 15G+3 0.00000 0.00075 0.00000 0.00000 -0.02108
|
|
239 15G-3 0.00000 -0.01537 0.00000 0.00000 0.00190
|
|
240 15G+4 -0.01266 0.00000 0.00241 -0.00307 0.00000
|
|
241 15G-4 -0.01873 0.00000 0.00430 0.00597 0.00000
|
|
242 4 H 1S 0.00722 0.00000 -0.00283 0.01155 0.00000
|
|
243 2S -0.09170 0.00000 0.47212 -0.28324 0.00000
|
|
244 3S 6.85892 0.00000 7.54796 -0.07631 0.00000
|
|
245 4S 2.49677 0.00000 0.57844 -1.02764 0.00000
|
|
246 5S -0.26154 0.00000 0.09610 -0.01303 0.00000
|
|
247 6PX -0.00303 0.00000 -0.03038 0.03885 0.00000
|
|
248 6PY 0.01011 0.00000 0.04393 0.03804 0.00000
|
|
249 6PZ 0.00000 0.07857 0.00000 0.00000 -0.06858
|
|
250 7PX -0.07179 0.00000 0.13121 -0.34829 0.00000
|
|
251 7PY -0.08503 0.00000 -0.35145 -0.28041 0.00000
|
|
252 7PZ 0.00000 -0.62742 0.00000 0.00000 0.59541
|
|
253 8PX 3.22645 0.00000 3.74490 0.24637 0.00000
|
|
254 8PY -0.16411 0.00000 -0.29688 0.27751 0.00000
|
|
255 8PZ 0.00000 0.64793 0.00000 0.00000 -1.42950
|
|
256 9PX 1.21653 0.00000 0.39939 0.02356 0.00000
|
|
257 9PY 0.18558 0.00000 -0.19872 0.51445 0.00000
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258 9PZ 0.00000 0.70866 0.00000 0.00000 -0.85627
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259 10D 0 0.04270 0.00000 0.04772 0.00469 0.00000
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260 10D+1 0.00000 0.05982 0.00000 0.00000 -0.00503
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261 10D-1 0.00000 -0.03985 0.00000 0.00000 -0.03813
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262 10D+2 -0.02389 0.00000 -0.05773 0.00897 0.00000
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263 10D-2 0.01737 0.00000 0.04141 0.03922 0.00000
|
|
264 11D 0 -0.38327 0.00000 -0.51828 0.00634 0.00000
|
|
265 11D+1 0.00000 -0.48736 0.00000 0.00000 0.01398
|
|
266 11D-1 0.00000 0.28480 0.00000 0.00000 0.28464
|
|
267 11D+2 0.32957 0.00000 0.68757 -0.18013 0.00000
|
|
268 11D-2 -0.15486 0.00000 -0.42921 -0.28409 0.00000
|
|
269 12D 0 -0.35208 0.00000 -0.15319 0.00170 0.00000
|
|
270 12D+1 0.00000 0.53011 0.00000 0.00000 -1.00246
|
|
271 12D-1 0.00000 0.00285 0.00000 0.00000 0.73994
|
|
272 12D+2 0.56671 0.00000 0.44990 0.31474 0.00000
|
|
273 12D-2 0.21772 0.00000 0.24809 0.11411 0.00000
|
|
274 13F 0 0.00000 -0.01441 0.00000 0.00000 -0.00461
|
|
275 13F+1 -0.00352 0.00000 -0.00318 0.00899 0.00000
|
|
276 13F-1 0.00156 0.00000 -0.00259 0.01107 0.00000
|
|
277 13F+2 0.00000 0.00804 0.00000 0.00000 -0.01823
|
|
278 13F-2 0.00000 -0.01540 0.00000 0.00000 -0.03106
|
|
279 13F+3 0.02867 0.00000 0.01345 0.00117 0.00000
|
|
280 13F-3 0.00641 0.00000 0.00282 0.00626 0.00000
|
|
281 14F 0 0.00000 0.09225 0.00000 0.00000 0.30381
|
|
282 14F+1 -0.20042 0.00000 -0.16632 -0.11418 0.00000
|
|
283 14F-1 -0.01835 0.00000 0.00755 -0.11764 0.00000
|
|
284 14F+2 0.00000 0.00391 0.00000 0.00000 -0.09911
|
|
285 14F-2 0.00000 0.21532 0.00000 0.00000 0.57986
|
|
286 14F+3 -0.03129 0.00000 0.22299 -0.00267 0.00000
|
|
287 14F-3 -0.00838 0.00000 -0.02881 -0.17879 0.00000
|
|
288 15G 0 0.00506 0.00000 0.00174 -0.00721 0.00000
|
|
289 15G+1 0.00000 -0.00628 0.00000 0.00000 0.00962
|
|
290 15G-1 0.00000 0.00428 0.00000 0.00000 -0.01361
|
|
291 15G+2 -0.00431 0.00000 -0.00503 0.00197 0.00000
|
|
292 15G-2 0.00076 0.00000 -0.00527 0.01013 0.00000
|
|
293 15G+3 0.00000 0.00973 0.00000 0.00000 -0.00971
|
|
294 15G-3 0.00000 0.00350 0.00000 0.00000 0.00766
|
|
295 15G+4 0.00777 0.00000 0.01006 0.00336 0.00000
|
|
296 15G-4 0.00855 0.00000 0.00753 -0.00604 0.00000
|
|
297 5 H 1S -0.00039 0.00685 0.00781 -0.00317 -0.00966
|
|
298 2S 0.16386 -0.23682 0.09860 -0.06845 0.17415
|
|
299 3S -2.52086 -3.59971 -2.96133 1.81196 -3.28222
|
|
300 4S -1.63944 -1.87932 -4.67079 -0.35938 -1.51374
|
|
301 5S 0.11069 -0.12270 -0.08699 -0.08898 0.07053
|
|
302 6PX -0.01645 -0.03824 0.04308 -0.05829 0.02613
|
|
303 6PY -0.02943 0.01200 0.05542 0.05047 0.01212
|
|
304 6PZ 0.01828 -0.00094 -0.01951 0.01327 -0.00577
|
|
305 7PX 0.13189 0.29692 -0.32796 0.48383 -0.25404
|
|
306 7PY 0.22429 -0.10605 -0.46753 -0.42256 -0.14251
|
|
307 7PZ -0.16761 -0.00813 0.18807 -0.11805 -0.00245
|
|
308 8PX 0.11639 0.59922 0.64857 -0.89071 1.19104
|
|
309 8PY 0.04004 1.08080 1.51990 0.18078 0.76464
|
|
310 8PZ 1.25365 1.20269 0.42638 -0.18450 1.17068
|
|
311 9PX 0.16361 -0.02563 0.95335 -0.59321 0.75938
|
|
312 9PY -0.00791 0.71619 1.28086 0.53630 0.32864
|
|
313 9PZ 0.73952 0.68411 1.25425 0.53431 0.59665
|
|
314 10D 0 -0.01266 -0.01792 0.00286 0.00164 0.01541
|
|
315 10D+1 0.00797 0.03169 -0.06776 0.02055 0.02822
|
|
316 10D-1 0.02616 -0.00535 -0.02883 -0.01501 0.00620
|
|
317 10D+2 -0.01092 0.00403 0.00283 0.04297 -0.02153
|
|
318 10D-2 -0.01983 -0.00657 -0.00511 -0.00002 0.01739
|
|
319 11D 0 0.04304 0.07380 -0.06427 0.01252 -0.11895
|
|
320 11D+1 -0.09332 -0.33717 0.49704 -0.12208 -0.22507
|
|
321 11D-1 -0.23261 -0.03681 0.18898 0.19155 -0.05031
|
|
322 11D+2 0.09052 -0.04873 -0.00720 -0.35601 0.15633
|
|
323 11D-2 0.12911 -0.00636 0.02443 0.03705 -0.13546
|
|
324 12D 0 -0.39361 -0.38294 0.37493 -0.24916 0.07013
|
|
325 12D+1 0.18723 0.12229 -0.23800 0.34339 -0.42368
|
|
326 12D-1 0.01178 -0.25446 -0.90562 -0.90428 -0.23670
|
|
327 12D+2 -0.12810 0.22892 0.14329 0.72708 -0.03602
|
|
328 12D-2 0.00700 -0.20094 -0.26438 0.11120 -0.66638
|
|
329 13F 0 0.01514 -0.01078 -0.01164 0.01307 -0.00369
|
|
330 13F+1 0.01828 0.00170 0.02323 -0.00429 0.00222
|
|
331 13F-1 0.00197 0.01324 0.00856 -0.02697 0.01011
|
|
332 13F+2 -0.00044 -0.00927 -0.00924 0.00817 0.00648
|
|
333 13F-2 0.00673 0.00788 0.01645 -0.01024 -0.00244
|
|
334 13F+3 0.00034 -0.00881 -0.01340 -0.00161 0.01974
|
|
335 13F-3 -0.00104 0.00486 0.00652 -0.00001 -0.01325
|
|
336 14F 0 -0.01159 0.20263 -0.08467 -0.07686 -0.10931
|
|
337 14F+1 -0.16310 0.01647 -0.37090 -0.00157 0.09708
|
|
338 14F-1 0.05360 -0.04252 0.00331 0.38365 -0.09262
|
|
339 14F+2 -0.04322 0.01009 -0.05605 -0.33678 -0.09118
|
|
340 14F-2 -0.11173 -0.02417 -0.04794 0.08963 0.24272
|
|
341 14F+3 -0.00512 0.04281 0.08988 -0.06326 -0.32694
|
|
342 14F-3 -0.01889 -0.06291 -0.06333 -0.13215 0.19898
|
|
343 15G 0 -0.00613 -0.00277 0.01049 -0.00192 0.00641
|
|
344 15G+1 -0.00178 -0.00441 0.00731 -0.00254 0.00082
|
|
345 15G-1 -0.00142 -0.00467 0.00146 -0.00744 0.00592
|
|
346 15G+2 0.00366 0.00519 0.01021 0.00817 0.00271
|
|
347 15G-2 -0.00114 0.00214 -0.00109 -0.00193 -0.00987
|
|
348 15G+3 -0.00375 0.00470 0.00553 0.01222 0.00430
|
|
349 15G-3 0.00576 0.00492 -0.00575 0.00772 -0.00494
|
|
350 15G+4 0.00157 0.00288 0.00244 0.00034 -0.00152
|
|
351 15G-4 -0.00091 0.00246 0.00190 -0.00090 0.00451
|
|
352 6 H 1S -0.00039 -0.00685 0.00781 -0.00317 0.00966
|
|
353 2S 0.16386 0.23682 0.09860 -0.06845 -0.17415
|
|
354 3S -2.52086 3.59971 -2.96133 1.81196 3.28222
|
|
355 4S -1.63944 1.87932 -4.67079 -0.35938 1.51374
|
|
356 5S 0.11069 0.12270 -0.08699 -0.08898 -0.07053
|
|
357 6PX -0.01645 0.03824 0.04308 -0.05829 -0.02613
|
|
358 6PY -0.02943 -0.01200 0.05542 0.05047 -0.01212
|
|
359 6PZ -0.01828 -0.00094 0.01951 -0.01327 -0.00577
|
|
360 7PX 0.13189 -0.29692 -0.32796 0.48383 0.25404
|
|
361 7PY 0.22429 0.10605 -0.46753 -0.42256 0.14251
|
|
362 7PZ 0.16761 -0.00813 -0.18807 0.11805 -0.00245
|
|
363 8PX 0.11639 -0.59922 0.64857 -0.89071 -1.19104
|
|
364 8PY 0.04004 -1.08080 1.51990 0.18078 -0.76464
|
|
365 8PZ -1.25365 1.20269 -0.42638 0.18450 1.17068
|
|
366 9PX 0.16361 0.02563 0.95335 -0.59321 -0.75938
|
|
367 9PY -0.00791 -0.71619 1.28086 0.53630 -0.32864
|
|
368 9PZ -0.73952 0.68411 -1.25425 -0.53431 0.59665
|
|
369 10D 0 -0.01266 0.01792 0.00286 0.00164 -0.01541
|
|
370 10D+1 -0.00797 0.03169 0.06776 -0.02055 0.02822
|
|
371 10D-1 -0.02616 -0.00535 0.02883 0.01501 0.00620
|
|
372 10D+2 -0.01092 -0.00403 0.00283 0.04297 0.02153
|
|
373 10D-2 -0.01983 0.00657 -0.00511 -0.00002 -0.01739
|
|
374 11D 0 0.04304 -0.07380 -0.06427 0.01252 0.11895
|
|
375 11D+1 0.09332 -0.33717 -0.49704 0.12208 -0.22507
|
|
376 11D-1 0.23261 -0.03681 -0.18898 -0.19155 -0.05031
|
|
377 11D+2 0.09052 0.04873 -0.00720 -0.35601 -0.15633
|
|
378 11D-2 0.12911 0.00636 0.02443 0.03705 0.13546
|
|
379 12D 0 -0.39361 0.38294 0.37493 -0.24916 -0.07013
|
|
380 12D+1 -0.18723 0.12229 0.23800 -0.34339 -0.42368
|
|
381 12D-1 -0.01178 -0.25446 0.90562 0.90428 -0.23670
|
|
382 12D+2 -0.12810 -0.22892 0.14329 0.72708 0.03602
|
|
383 12D-2 0.00700 0.20094 -0.26438 0.11120 0.66638
|
|
384 13F 0 -0.01514 -0.01078 0.01164 -0.01307 -0.00369
|
|
385 13F+1 0.01828 -0.00170 0.02323 -0.00429 -0.00222
|
|
386 13F-1 0.00197 -0.01324 0.00856 -0.02697 -0.01011
|
|
387 13F+2 0.00044 -0.00927 0.00924 -0.00817 0.00648
|
|
388 13F-2 -0.00673 0.00788 -0.01645 0.01024 -0.00244
|
|
389 13F+3 0.00034 0.00881 -0.01340 -0.00161 -0.01974
|
|
390 13F-3 -0.00104 -0.00486 0.00652 -0.00001 0.01325
|
|
391 14F 0 0.01159 0.20263 0.08467 0.07686 -0.10931
|
|
392 14F+1 -0.16310 -0.01647 -0.37090 -0.00157 -0.09708
|
|
393 14F-1 0.05360 0.04252 0.00331 0.38365 0.09262
|
|
394 14F+2 0.04322 0.01009 0.05605 0.33678 -0.09118
|
|
395 14F-2 0.11173 -0.02417 0.04794 -0.08963 0.24272
|
|
396 14F+3 -0.00512 -0.04281 0.08988 -0.06326 0.32694
|
|
397 14F-3 -0.01889 0.06291 -0.06333 -0.13215 -0.19898
|
|
398 15G 0 -0.00613 0.00277 0.01049 -0.00192 -0.00641
|
|
399 15G+1 0.00178 -0.00441 -0.00731 0.00254 0.00082
|
|
400 15G-1 0.00142 -0.00467 -0.00146 0.00744 0.00592
|
|
401 15G+2 0.00366 -0.00519 0.01021 0.00817 -0.00271
|
|
402 15G-2 -0.00114 -0.00214 -0.00109 -0.00193 0.00987
|
|
403 15G+3 0.00375 0.00470 -0.00553 -0.01222 0.00430
|
|
404 15G-3 -0.00576 0.00492 0.00575 -0.00772 -0.00494
|
|
405 15G+4 0.00157 -0.00288 0.00244 0.00034 0.00152
|
|
406 15G-4 -0.00091 -0.00246 0.00190 -0.00090 -0.00451
|
|
231 232 233 234 235
|
|
V V V V V
|
|
Eigenvalues -- 6.38151 6.42290 6.42343 6.49309 6.57781
|
|
1 1 C 1S 0.05398 0.00000 -0.01897 0.00000 0.00000
|
|
2 2S -0.10886 0.00000 0.11152 0.00000 0.00000
|
|
3 3S 0.58584 0.00000 0.31936 0.00000 0.00000
|
|
4 4S -6.52124 0.00000 -2.98680 0.00000 0.00000
|
|
5 5S 12.56738 0.00000 7.08456 0.00000 0.00000
|
|
6 6S 1.67083 0.00000 -0.45344 0.00000 0.00000
|
|
7 7PX 0.01156 0.00000 0.01833 0.00000 0.00000
|
|
8 7PY -0.08753 0.00000 -0.00271 0.00000 0.00000
|
|
9 7PZ 0.00000 -0.00193 0.00000 0.00992 0.04478
|
|
10 8PX 0.25620 0.00000 -1.40962 0.00000 0.00000
|
|
11 8PY 0.20223 0.00000 -0.27349 0.00000 0.00000
|
|
12 8PZ 0.00000 -1.05008 0.00000 0.06585 -0.46349
|
|
13 9PX 1.51417 0.00000 9.01379 0.00000 0.00000
|
|
14 9PY -1.70079 0.00000 2.14714 0.00000 0.00000
|
|
15 9PZ 0.00000 7.02804 0.00000 -0.24979 7.78191
|
|
16 10PX -0.72704 0.00000 3.64752 0.00000 0.00000
|
|
17 10PY -0.36228 0.00000 -1.70246 0.00000 0.00000
|
|
18 10PZ 0.00000 2.39237 0.00000 -0.12017 -0.24159
|
|
19 11PX -0.06125 0.00000 0.08267 0.00000 0.00000
|
|
20 11PY -0.16090 0.00000 -0.07436 0.00000 0.00000
|
|
21 11PZ 0.00000 0.27563 0.00000 0.01790 -0.10731
|
|
22 12D 0 0.01354 0.00000 -0.00854 0.00000 0.00000
|
|
23 12D+1 0.00000 -0.01564 0.00000 -0.00778 -0.02708
|
|
24 12D-1 0.00000 -0.01612 0.00000 -0.02828 0.03695
|
|
25 12D+2 0.03794 0.00000 -0.00386 0.00000 0.00000
|
|
26 12D-2 0.01677 0.00000 0.00083 0.00000 0.00000
|
|
27 13D 0 -0.18850 0.00000 -0.20370 0.00000 0.00000
|
|
28 13D+1 0.00000 -0.31174 0.00000 0.05753 0.18031
|
|
29 13D-1 0.00000 0.24113 0.00000 0.37677 -0.48165
|
|
30 13D+2 -0.64478 0.00000 0.15615 0.00000 0.00000
|
|
31 13D-2 -0.39595 0.00000 -0.10367 0.00000 0.00000
|
|
32 14D 0 -0.06135 0.00000 3.72684 0.00000 0.00000
|
|
33 14D+1 0.00000 2.67241 0.00000 -0.84964 2.62866
|
|
34 14D-1 0.00000 0.79120 0.00000 -1.83631 5.05938
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297 5 H 1S -0.00128 0.01009 -0.00014 0.00225 -0.01385
|
|
298 2S 0.49609 -0.60770 -0.17286 -0.21665 0.27061
|
|
299 3S -2.44586 -4.62588 -6.89863 1.02999 -6.31978
|
|
300 4S -0.95744 -2.37247 -0.70796 0.47648 -2.23577
|
|
301 5S 0.06064 -0.12510 0.02562 -0.03995 -0.02062
|
|
302 6PX -0.02489 -0.04993 0.03419 0.00981 0.01723
|
|
303 6PY 0.00996 -0.01773 -0.03051 0.00363 0.01483
|
|
304 6PZ 0.06032 0.01244 -0.03344 -0.01406 -0.00062
|
|
305 7PX 0.21368 0.39519 -0.28775 -0.09195 -0.21418
|
|
306 7PY -0.10089 0.12117 0.21259 -0.02702 -0.18064
|
|
307 7PZ -0.48789 -0.11118 0.21296 0.14459 -0.10427
|
|
308 8PX -0.41438 0.68172 1.27841 0.18735 1.95469
|
|
309 8PY 0.77086 0.86380 0.82359 0.16847 0.96516
|
|
310 8PZ 0.60336 1.84477 2.34352 -0.80866 2.84442
|
|
311 9PX -0.44141 0.10410 0.41529 -0.01904 1.05463
|
|
312 9PY -0.15213 0.96120 0.17930 0.02213 0.27044
|
|
313 9PZ 0.75946 1.06575 0.28698 -0.16205 1.20690
|
|
314 10D 0 -0.06741 -0.03160 0.05172 -0.02413 0.04330
|
|
315 10D+1 -0.01239 0.01804 -0.01690 0.00598 0.03861
|
|
316 10D-1 -0.00420 0.00690 0.04466 0.00940 -0.00391
|
|
317 10D+2 -0.00410 0.01774 -0.01083 -0.00704 0.01326
|
|
318 10D-2 -0.01426 0.03391 0.00498 0.00558 0.01319
|
|
319 11D 0 0.57838 0.18962 -0.56454 0.22710 -0.41294
|
|
320 11D+1 0.12393 -0.27706 0.03181 -0.03205 -0.37799
|
|
321 11D-1 0.02288 -0.14398 -0.48076 -0.06767 0.02052
|
|
322 11D+2 0.05222 -0.17147 0.11186 0.06337 -0.14811
|
|
323 11D-2 0.08291 -0.32375 -0.08458 -0.04258 -0.09902
|
|
324 12D 0 -0.45472 -0.31162 0.15216 0.17340 -0.09248
|
|
325 12D+1 0.48120 -0.20104 -0.25632 -0.09002 -0.73674
|
|
326 12D-1 -0.03276 -0.41558 -0.10259 -0.06697 -0.38894
|
|
327 12D+2 0.15289 0.53138 0.05798 -0.20375 0.00973
|
|
328 12D-2 0.21151 -0.46387 0.40009 -0.36478 -0.30691
|
|
329 13F 0 0.00276 -0.00206 0.00677 -0.00603 0.00786
|
|
330 13F+1 0.01330 0.00457 0.01333 -0.00796 0.01640
|
|
331 13F-1 0.01718 0.00851 0.00456 -0.00309 0.00592
|
|
332 13F+2 -0.00661 -0.00231 0.00361 -0.00691 0.01322
|
|
333 13F-2 0.02838 -0.01910 0.01349 -0.01198 0.00540
|
|
334 13F+3 -0.01971 0.00478 -0.01048 -0.00327 0.00634
|
|
335 13F-3 0.00398 0.00237 0.00979 -0.00318 -0.00603
|
|
336 14F 0 0.00945 -0.06908 -0.01133 -0.11640 -0.10199
|
|
337 14F+1 -0.25140 0.02631 -0.00499 0.01136 0.12213
|
|
338 14F-1 -0.11208 -0.06458 0.08900 0.04730 -0.08284
|
|
339 14F+2 -0.06599 -0.07612 -0.17571 0.08897 -0.01412
|
|
340 14F-2 -0.30799 0.36717 -0.12315 0.22970 0.06210
|
|
341 14F+3 0.15044 -0.18524 0.17092 -0.00345 -0.09346
|
|
342 14F-3 -0.06412 -0.03890 -0.17152 0.14191 -0.00900
|
|
343 15G 0 -0.00639 0.00571 0.00131 0.00595 0.00318
|
|
344 15G+1 0.00727 -0.00430 -0.00184 0.00300 -0.00467
|
|
345 15G-1 -0.00165 0.00041 -0.00030 -0.00126 0.00671
|
|
346 15G+2 0.00415 0.00559 0.00554 -0.00035 -0.00570
|
|
347 15G-2 -0.00284 0.00099 0.00379 -0.00252 -0.00444
|
|
348 15G+3 0.00113 0.00578 -0.00243 0.00292 -0.00216
|
|
349 15G-3 0.00863 0.00244 -0.00046 -0.00330 0.00133
|
|
350 15G+4 0.00511 0.01398 0.00062 0.00544 0.00020
|
|
351 15G-4 0.00190 -0.00133 0.00529 -0.00330 0.00700
|
|
352 6 H 1S -0.00128 -0.01009 -0.00014 -0.00225 0.01385
|
|
353 2S 0.49609 0.60770 -0.17286 0.21665 -0.27061
|
|
354 3S -2.44586 4.62588 -6.89863 -1.02999 6.31978
|
|
355 4S -0.95744 2.37247 -0.70796 -0.47648 2.23577
|
|
356 5S 0.06064 0.12510 0.02562 0.03995 0.02062
|
|
357 6PX -0.02489 0.04993 0.03419 -0.00981 -0.01723
|
|
358 6PY 0.00996 0.01773 -0.03051 -0.00363 -0.01483
|
|
359 6PZ -0.06032 0.01244 0.03344 -0.01406 -0.00062
|
|
360 7PX 0.21368 -0.39519 -0.28775 0.09195 0.21418
|
|
361 7PY -0.10089 -0.12117 0.21259 0.02702 0.18064
|
|
362 7PZ 0.48789 -0.11118 -0.21296 0.14459 -0.10427
|
|
363 8PX -0.41438 -0.68172 1.27841 -0.18735 -1.95469
|
|
364 8PY 0.77086 -0.86380 0.82359 -0.16847 -0.96516
|
|
365 8PZ -0.60336 1.84477 -2.34352 -0.80866 2.84442
|
|
366 9PX -0.44141 -0.10410 0.41529 0.01904 -1.05463
|
|
367 9PY -0.15213 -0.96120 0.17930 -0.02213 -0.27044
|
|
368 9PZ -0.75946 1.06575 -0.28698 -0.16205 1.20690
|
|
369 10D 0 -0.06741 0.03160 0.05172 0.02413 -0.04330
|
|
370 10D+1 0.01239 0.01804 0.01690 0.00598 0.03861
|
|
371 10D-1 0.00420 0.00690 -0.04466 0.00940 -0.00391
|
|
372 10D+2 -0.00410 -0.01774 -0.01083 0.00704 -0.01326
|
|
373 10D-2 -0.01426 -0.03391 0.00498 -0.00558 -0.01319
|
|
374 11D 0 0.57838 -0.18962 -0.56454 -0.22710 0.41294
|
|
375 11D+1 -0.12393 -0.27706 -0.03181 -0.03205 -0.37799
|
|
376 11D-1 -0.02288 -0.14398 0.48076 -0.06767 0.02052
|
|
377 11D+2 0.05222 0.17147 0.11186 -0.06337 0.14811
|
|
378 11D-2 0.08291 0.32375 -0.08458 0.04258 0.09902
|
|
379 12D 0 -0.45472 0.31162 0.15216 -0.17340 0.09248
|
|
380 12D+1 -0.48120 -0.20104 0.25632 -0.09002 -0.73674
|
|
381 12D-1 0.03276 -0.41558 0.10259 -0.06697 -0.38894
|
|
382 12D+2 0.15289 -0.53138 0.05798 0.20375 -0.00973
|
|
383 12D-2 0.21151 0.46387 0.40009 0.36478 0.30691
|
|
384 13F 0 -0.00276 -0.00206 -0.00677 -0.00603 0.00786
|
|
385 13F+1 0.01330 -0.00457 0.01333 0.00796 -0.01640
|
|
386 13F-1 0.01718 -0.00851 0.00456 0.00309 -0.00592
|
|
387 13F+2 0.00661 -0.00231 -0.00361 -0.00691 0.01322
|
|
388 13F-2 -0.02838 -0.01910 -0.01349 -0.01198 0.00540
|
|
389 13F+3 -0.01971 -0.00478 -0.01048 0.00327 -0.00634
|
|
390 13F-3 0.00398 -0.00237 0.00979 0.00318 0.00603
|
|
391 14F 0 -0.00945 -0.06908 0.01133 -0.11640 -0.10199
|
|
392 14F+1 -0.25140 -0.02631 -0.00499 -0.01136 -0.12213
|
|
393 14F-1 -0.11208 0.06458 0.08900 -0.04730 0.08284
|
|
394 14F+2 0.06599 -0.07612 0.17571 0.08897 -0.01412
|
|
395 14F-2 0.30799 0.36717 0.12315 0.22970 0.06210
|
|
396 14F+3 0.15044 0.18524 0.17092 0.00345 0.09346
|
|
397 14F-3 -0.06412 0.03890 -0.17152 -0.14191 0.00900
|
|
398 15G 0 -0.00639 -0.00571 0.00131 -0.00595 -0.00318
|
|
399 15G+1 -0.00727 -0.00430 0.00184 0.00300 -0.00467
|
|
400 15G-1 0.00165 0.00041 0.00030 -0.00126 0.00671
|
|
401 15G+2 0.00415 -0.00559 0.00554 0.00035 0.00570
|
|
402 15G-2 -0.00284 -0.00099 0.00379 0.00252 0.00444
|
|
403 15G+3 -0.00113 0.00578 0.00243 0.00292 -0.00216
|
|
404 15G-3 -0.00863 0.00244 0.00046 -0.00330 0.00133
|
|
405 15G+4 0.00511 -0.01398 0.00062 -0.00544 -0.00020
|
|
406 15G-4 0.00190 0.00133 0.00529 0.00330 -0.00700
|
|
236 237 238 239 240
|
|
V V V V V
|
|
Eigenvalues -- 6.58942 6.63542 6.75594 6.83633 6.85457
|
|
1 1 C 1S -0.04142 -0.00532 -0.00612 -0.01208 0.00000
|
|
2 2S 0.06637 0.08538 0.03050 0.06724 0.00000
|
|
3 3S -0.53243 0.62251 0.15565 0.39393 0.00000
|
|
4 4S 5.32684 -6.06573 -1.29809 -7.79847 0.00000
|
|
5 5S -6.94680 10.18519 1.81095 18.50627 0.00000
|
|
6 6S -1.28193 0.81303 -1.29339 0.72915 0.00000
|
|
7 7PX 0.00985 0.03037 0.04665 0.00438 0.00000
|
|
8 7PY 0.04031 -0.01579 -0.02618 0.16116 0.00000
|
|
9 7PZ 0.00000 0.00000 0.00000 0.00000 0.08616
|
|
10 8PX -0.16738 -0.22420 -1.21443 0.18017 0.00000
|
|
11 8PY -0.32013 -1.03685 -0.66478 -1.41133 0.00000
|
|
12 8PZ 0.00000 0.00000 0.00000 0.00000 -1.65600
|
|
13 9PX 2.81116 0.68022 6.26431 1.63672 0.00000
|
|
14 9PY 2.90804 4.12190 2.40661 7.99230 0.00000
|
|
15 9PZ 0.00000 0.00000 0.00000 0.00000 11.22743
|
|
16 10PX -0.15557 1.88012 4.47369 -1.57502 0.00000
|
|
17 10PY 8.19895 -3.49038 2.01310 -5.34310 0.00000
|
|
18 10PZ 0.00000 0.00000 0.00000 0.00000 5.83617
|
|
19 11PX 0.21780 -0.01544 0.09192 0.04191 0.00000
|
|
20 11PY 0.37667 -0.23587 0.18872 -0.18045 0.00000
|
|
21 11PZ 0.00000 0.00000 0.00000 0.00000 0.10782
|
|
22 12D 0 0.00363 0.02403 0.00311 -0.03664 0.00000
|
|
23 12D+1 0.00000 0.00000 0.00000 0.00000 -0.02772
|
|
24 12D-1 0.00000 0.00000 0.00000 0.00000 -0.02279
|
|
25 12D+2 0.01912 0.00000 0.02929 -0.01564 0.00000
|
|
26 12D-2 0.01815 0.02114 -0.03128 0.02222 0.00000
|
|
27 13D 0 0.34430 -0.15190 -0.22955 0.25597 0.00000
|
|
28 13D+1 0.00000 0.00000 0.00000 0.00000 -0.08443
|
|
29 13D-1 0.00000 0.00000 0.00000 0.00000 0.08803
|
|
30 13D+2 0.45294 -0.19557 -0.07662 0.44536 0.00000
|
|
31 13D-2 -0.25553 -0.51064 0.17101 0.00950 0.00000
|
|
32 14D 0 1.11882 3.13252 1.28195 0.73535 0.00000
|
|
33 14D+1 0.00000 0.00000 0.00000 0.00000 2.32407
|
|
34 14D-1 0.00000 0.00000 0.00000 0.00000 5.53587
|
|
35 14D+2 -0.55748 0.24894 -0.18950 1.35965 0.00000
|
|
36 14D-2 1.72117 2.64608 2.76910 1.69048 0.00000
|
|
37 15D 0 0.41845 -0.03616 1.78704 -1.26342 0.00000
|
|
38 15D+1 0.00000 0.00000 0.00000 0.00000 1.89786
|
|
39 15D-1 0.00000 0.00000 0.00000 0.00000 1.29035
|
|
40 15D+2 1.43422 -0.81261 -0.36263 -1.37513 0.00000
|
|
41 15D-2 1.27977 0.53923 0.27607 0.37083 0.00000
|
|
42 16F 0 0.00000 0.00000 0.00000 0.00000 0.06919
|
|
43 16F+1 -0.02617 -0.05189 -0.01608 -0.07782 0.00000
|
|
44 16F-1 0.01813 -0.07520 -0.05024 -0.00331 0.00000
|
|
45 16F+2 0.00000 0.00000 0.00000 0.00000 0.03628
|
|
46 16F-2 0.00000 0.00000 0.00000 0.00000 -0.07092
|
|
47 16F+3 0.00860 0.02527 0.05671 0.04561 0.00000
|
|
48 16F-3 0.05757 0.02012 0.03582 0.00134 0.00000
|
|
49 17F 0 0.00000 0.00000 0.00000 0.00000 -0.39962
|
|
50 17F+1 0.43264 0.50290 0.18200 1.00901 0.00000
|
|
51 17F-1 -0.09168 0.58883 0.49914 0.78398 0.00000
|
|
52 17F+2 0.00000 0.00000 0.00000 0.00000 0.13009
|
|
53 17F-2 0.00000 0.00000 0.00000 0.00000 1.17139
|
|
54 17F+3 0.21539 -0.12034 -0.16048 -0.35590 0.00000
|
|
55 17F-3 -0.64336 0.04617 -0.52665 0.28316 0.00000
|
|
56 18F 0 0.00000 0.00000 0.00000 0.00000 -0.23896
|
|
57 18F+1 -1.02353 1.55713 0.48932 2.26092 0.00000
|
|
58 18F-1 -0.03547 0.40034 0.34167 1.61932 0.00000
|
|
59 18F+2 0.00000 0.00000 0.00000 0.00000 0.42170
|
|
60 18F-2 0.00000 0.00000 0.00000 0.00000 0.67475
|
|
61 18F+3 0.79679 -0.77590 -0.15716 -0.34131 0.00000
|
|
62 18F-3 0.13826 0.50247 -0.26436 1.51213 0.00000
|
|
63 19G 0 -0.02445 -0.04553 0.07077 0.03002 0.00000
|
|
64 19G+1 0.00000 0.00000 0.00000 0.00000 -0.05145
|
|
65 19G-1 0.00000 0.00000 0.00000 0.00000 0.04142
|
|
66 19G+2 0.00512 0.04410 -0.03918 0.00582 0.00000
|
|
67 19G-2 0.07696 0.01356 -0.00391 0.06603 0.00000
|
|
68 19G+3 0.00000 0.00000 0.00000 0.00000 0.02737
|
|
69 19G-3 0.00000 0.00000 0.00000 0.00000 0.07714
|
|
70 19G+4 -0.01851 0.01461 0.03701 -0.03341 0.00000
|
|
71 19G-4 0.02077 0.04471 0.03016 0.05326 0.00000
|
|
72 20G 0 0.07088 1.02787 -1.95973 -1.16820 0.00000
|
|
73 20G+1 0.00000 0.00000 0.00000 0.00000 1.59605
|
|
74 20G-1 0.00000 0.00000 0.00000 0.00000 -0.45247
|
|
75 20G+2 -0.08471 -0.68414 0.49975 -0.18189 0.00000
|
|
76 20G-2 -0.14382 0.17072 0.06184 0.47252 0.00000
|
|
77 20G+3 0.00000 0.00000 0.00000 0.00000 -1.90603
|
|
78 20G-3 0.00000 0.00000 0.00000 0.00000 -0.70327
|
|
79 20G+4 0.01564 -0.24613 0.21040 0.41794 0.00000
|
|
80 20G-4 -0.20486 -0.22124 -0.35768 -0.72573 0.00000
|
|
81 21H 0 0.00000 0.00000 0.00000 0.00000 0.03734
|
|
82 21H+1 -0.02095 0.05259 -0.04330 -0.03545 0.00000
|
|
83 21H-1 0.00855 -0.00556 -0.04636 -0.00362 0.00000
|
|
84 21H+2 0.00000 0.00000 0.00000 0.00000 -0.03180
|
|
85 21H-2 0.00000 0.00000 0.00000 0.00000 0.08865
|
|
86 21H+3 -0.05893 -0.00803 0.00893 -0.01792 0.00000
|
|
87 21H-3 0.02466 0.03535 0.04942 0.02829 0.00000
|
|
88 21H+4 0.00000 0.00000 0.00000 0.00000 0.01460
|
|
89 21H-4 0.00000 0.00000 0.00000 0.00000 -0.06031
|
|
90 21H+5 0.05620 -0.02057 0.00561 0.01302 0.00000
|
|
91 21H-5 0.05569 0.04586 -0.05027 0.07627 0.00000
|
|
92 2 S 1S 0.09373 -0.02240 0.02407 -0.01730 0.00000
|
|
93 2S 0.00420 0.00153 0.00119 -0.00547 0.00000
|
|
94 3S 1.31561 -0.30968 0.33964 -0.25652 0.00000
|
|
95 4S 3.76366 -0.86870 0.93150 -0.74117 0.00000
|
|
96 5S -8.87207 2.68231 -1.70386 1.42816 0.00000
|
|
97 6S 11.60285 -5.71163 1.46334 -3.28705 0.00000
|
|
98 7S 4.99614 -1.05789 1.50620 -0.33187 0.00000
|
|
99 8PX 0.01167 -0.00255 0.00568 0.00406 0.00000
|
|
100 8PY 0.02094 -0.01258 0.01664 -0.02066 0.00000
|
|
101 8PZ 0.00000 0.00000 0.00000 0.00000 0.01471
|
|
102 9PX -0.10721 0.05218 -0.02278 -0.04494 0.00000
|
|
103 9PY -0.04236 0.01187 -0.08440 0.09965 0.00000
|
|
104 9PZ 0.00000 0.00000 0.00000 0.00000 -0.05893
|
|
105 10PX -0.82612 0.44090 -0.16190 -0.40104 0.00000
|
|
106 10PY -0.09927 0.00368 -0.57276 0.76187 0.00000
|
|
107 10PZ 0.00000 0.00000 0.00000 0.00000 -0.38389
|
|
108 11PX 1.26241 -0.99153 0.45167 0.88284 0.00000
|
|
109 11PY -1.43305 -0.02872 0.65571 -2.06672 0.00000
|
|
110 11PZ 0.00000 0.00000 0.00000 0.00000 0.63428
|
|
111 12PX 3.42274 -1.42813 -1.32312 2.78805 0.00000
|
|
112 12PY 8.52585 -0.59406 2.86328 -3.60743 0.00000
|
|
113 12PZ 0.00000 0.00000 0.00000 0.00000 -0.07112
|
|
114 13PX 0.22649 0.01260 -0.05268 0.07648 0.00000
|
|
115 13PY 0.79602 0.08047 0.25592 0.09011 0.00000
|
|
116 13PZ 0.00000 0.00000 0.00000 0.00000 -0.04991
|
|
117 14D 0 -2.21959 0.23306 -0.80331 -0.18273 0.00000
|
|
118 14D+1 0.00000 0.00000 0.00000 0.00000 -0.14073
|
|
119 14D-1 0.00000 0.00000 0.00000 0.00000 -0.27139
|
|
120 14D+2 -2.46286 -0.70999 -0.52288 0.33247 0.00000
|
|
121 14D-2 1.97655 1.17805 -0.63612 0.24284 0.00000
|
|
122 15D 0 -1.22393 0.62727 -0.05807 -0.08310 0.00000
|
|
123 15D+1 0.00000 0.00000 0.00000 0.00000 -0.06631
|
|
124 15D-1 0.00000 0.00000 0.00000 0.00000 0.82511
|
|
125 15D+2 0.48324 -0.61659 -0.55031 1.56044 0.00000
|
|
126 15D-2 -0.56483 0.83076 1.39487 -0.31832 0.00000
|
|
127 16D 0 0.32503 -0.11023 0.03737 0.01879 0.00000
|
|
128 16D+1 0.00000 0.00000 0.00000 0.00000 0.01909
|
|
129 16D-1 0.00000 0.00000 0.00000 0.00000 -0.22326
|
|
130 16D+2 0.02316 0.18160 0.15997 -0.22948 0.00000
|
|
131 16D-2 0.09607 -0.14477 -0.31668 0.01370 0.00000
|
|
132 17D 0 0.08953 -0.00693 0.03850 0.02807 0.00000
|
|
133 17D+1 0.00000 0.00000 0.00000 0.00000 0.01224
|
|
134 17D-1 0.00000 0.00000 0.00000 0.00000 -0.05800
|
|
135 17D+2 0.13963 0.01193 0.03084 0.01245 0.00000
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384 13F 0 -0.00761 0.01206 -0.02509 -0.01953 -0.00559
|
|
385 13F+1 -0.00546 0.03452 -0.00860 0.01976 0.00236
|
|
386 13F-1 -0.01115 0.03951 0.01332 0.00637 -0.03650
|
|
387 13F+2 -0.01346 0.00147 -0.00431 -0.00958 0.01161
|
|
388 13F-2 0.00563 -0.00899 -0.01693 -0.01939 0.01964
|
|
389 13F+3 0.01299 0.01425 -0.02134 -0.01273 -0.01720
|
|
390 13F-3 -0.00341 -0.00386 0.01994 0.01758 -0.02248
|
|
391 14F 0 -0.05236 -0.09473 0.03873 0.05414 0.22201
|
|
392 14F+1 0.19718 -0.32628 0.26329 0.05092 -0.50323
|
|
393 14F-1 0.12809 -0.60982 -0.06885 -0.05485 0.47588
|
|
394 14F+2 0.03572 -0.09468 0.04827 0.04438 0.04993
|
|
395 14F-2 -0.10863 0.00859 0.37941 0.25942 -0.17675
|
|
396 14F+3 -0.06144 -0.14927 0.32376 0.16549 0.17322
|
|
397 14F-3 0.04285 0.11787 -0.36049 -0.37346 0.26328
|
|
398 15G 0 -0.00770 -0.00531 0.00312 0.00374 -0.00115
|
|
399 15G+1 0.00472 -0.00323 0.00411 0.01183 -0.02199
|
|
400 15G-1 -0.00015 -0.00521 0.00700 0.00204 0.00804
|
|
401 15G+2 -0.00572 0.00202 -0.00703 -0.00789 0.00188
|
|
402 15G-2 -0.00674 0.00466 0.00679 0.00244 0.00029
|
|
403 15G+3 0.00609 -0.00239 -0.00053 0.00430 -0.00091
|
|
404 15G-3 -0.00169 -0.00083 -0.01002 -0.00866 -0.00190
|
|
405 15G+4 -0.00108 -0.00113 0.00324 0.00398 -0.00293
|
|
406 15G-4 0.00108 -0.00525 0.00255 -0.00181 -0.01000
|
|
241 242 243 244 245
|
|
V V V V V
|
|
Eigenvalues -- 6.88738 6.99515 7.06431 7.09926 7.15980
|
|
1 1 C 1S -0.01083 0.00000 0.00000 0.00694 0.00032
|
|
2 2S 0.07660 0.00000 0.00000 -0.06256 0.00960
|
|
3 3S 0.57252 0.00000 0.00000 -0.65233 0.35018
|
|
4 4S -9.00381 0.00000 0.00000 5.52501 -6.11766
|
|
5 5S 20.33527 0.00000 0.00000 -9.79560 14.49599
|
|
6 6S -0.77560 0.00000 0.00000 2.21463 -1.71783
|
|
7 7PX -0.08395 0.00000 0.00000 0.05640 0.20844
|
|
8 7PY 0.12701 0.00000 0.00000 0.27885 0.00832
|
|
9 7PZ 0.00000 -0.10295 0.13902 0.00000 0.00000
|
|
10 8PX 0.81222 0.00000 0.00000 -1.35138 -2.21107
|
|
11 8PY -1.53578 0.00000 0.00000 1.63938 -1.28191
|
|
12 8PZ 0.00000 1.37929 -1.90931 0.00000 0.00000
|
|
13 9PX -7.50870 0.00000 0.00000 8.79857 16.58233
|
|
14 9PY 7.38963 0.00000 0.00000 -5.91544 6.63221
|
|
15 9PZ 0.00000 -8.85455 13.87347 0.00000 0.00000
|
|
16 10PX -1.45510 0.00000 0.00000 6.02772 11.63571
|
|
17 10PY -0.96603 0.00000 0.00000 -2.60834 1.36808
|
|
18 10PZ 0.00000 -6.66658 8.82636 0.00000 0.00000
|
|
19 11PX 0.04462 0.00000 0.00000 0.09322 -0.15772
|
|
20 11PY 0.06618 0.00000 0.00000 -0.26397 0.26006
|
|
21 11PZ 0.00000 0.04966 0.01351 0.00000 0.00000
|
|
22 12D 0 0.02867 0.00000 0.00000 -0.06608 -0.02046
|
|
23 12D+1 0.00000 0.00890 -0.02204 0.00000 0.00000
|
|
24 12D-1 0.00000 0.02943 -0.03720 0.00000 0.00000
|
|
25 12D+2 -0.00414 0.00000 0.00000 -0.08875 0.05111
|
|
26 12D-2 -0.01998 0.00000 0.00000 -0.02570 -0.04217
|
|
27 13D 0 -0.04236 0.00000 0.00000 0.71944 0.64016
|
|
28 13D+1 0.00000 -0.33361 0.58177 0.00000 0.00000
|
|
29 13D-1 0.00000 0.04095 0.19273 0.00000 0.00000
|
|
30 13D+2 0.30854 0.00000 0.00000 0.85117 -0.67636
|
|
31 13D-2 0.25795 0.00000 0.00000 0.16670 0.33156
|
|
32 14D 0 -1.47049 0.00000 0.00000 1.99523 7.43863
|
|
33 14D+1 0.00000 -4.33939 5.96412 0.00000 0.00000
|
|
34 14D-1 0.00000 -5.05208 4.78158 0.00000 0.00000
|
|
35 14D+2 3.69370 0.00000 0.00000 -3.22868 -3.93856
|
|
36 14D-2 -4.69740 0.00000 0.00000 2.96235 4.96005
|
|
37 15D 0 -0.57040 0.00000 0.00000 0.58385 2.76751
|
|
38 15D+1 0.00000 -1.31785 1.75831 0.00000 0.00000
|
|
39 15D-1 0.00000 -1.81446 2.11761 0.00000 0.00000
|
|
40 15D+2 -0.20446 0.00000 0.00000 -1.91692 -1.85228
|
|
41 15D-2 -1.98559 0.00000 0.00000 0.97977 1.98986
|
|
42 16F 0 0.00000 0.08572 0.05190 0.00000 0.00000
|
|
43 16F+1 -0.10301 0.00000 0.00000 0.07196 -0.06627
|
|
44 16F-1 0.03211 0.00000 0.00000 0.02953 -0.10357
|
|
45 16F+2 0.00000 -0.07115 -0.12742 0.00000 0.00000
|
|
46 16F-2 0.00000 0.07300 -0.08342 0.00000 0.00000
|
|
47 16F+3 0.04022 0.00000 0.00000 -0.04615 -0.05084
|
|
48 16F-3 -0.03242 0.00000 0.00000 0.11839 0.01133
|
|
49 17F 0 0.00000 -1.41211 -0.67602 0.00000 0.00000
|
|
50 17F+1 0.93714 0.00000 0.00000 -0.37530 0.65767
|
|
51 17F-1 -0.29054 0.00000 0.00000 0.55182 1.69852
|
|
52 17F+2 0.00000 0.55458 1.80034 0.00000 0.00000
|
|
53 17F-2 0.00000 -0.94734 1.30541 0.00000 0.00000
|
|
54 17F+3 -0.91138 0.00000 0.00000 0.57741 1.01983
|
|
55 17F-3 0.93963 0.00000 0.00000 -0.42425 -0.58446
|
|
56 18F 0 0.00000 -1.23730 -1.61847 0.00000 0.00000
|
|
57 18F+1 2.19970 0.00000 0.00000 -1.64823 1.68760
|
|
58 18F-1 1.07792 0.00000 0.00000 0.48392 2.33315
|
|
59 18F+2 0.00000 1.53966 1.43519 0.00000 0.00000
|
|
60 18F-2 0.00000 -1.32855 1.60318 0.00000 0.00000
|
|
61 18F+3 -1.45138 0.00000 0.00000 0.65301 -0.10675
|
|
62 18F-3 2.15707 0.00000 0.00000 0.07214 -0.30934
|
|
63 19G 0 -0.00942 0.00000 0.00000 -0.05469 -0.04631
|
|
64 19G+1 0.00000 0.04539 0.02088 0.00000 0.00000
|
|
65 19G-1 0.00000 -0.07507 -0.04082 0.00000 0.00000
|
|
66 19G+2 -0.00479 0.00000 0.00000 -0.07866 0.01535
|
|
67 19G-2 0.00433 0.00000 0.00000 0.06666 0.01372
|
|
68 19G+3 0.00000 0.04788 -0.05612 0.00000 0.00000
|
|
69 19G-3 0.00000 0.04830 0.06156 0.00000 0.00000
|
|
70 19G+4 0.01177 0.00000 0.00000 -0.06980 0.03139
|
|
71 19G-4 -0.11060 0.00000 0.00000 -0.02185 0.03942
|
|
72 20G 0 0.64897 0.00000 0.00000 0.23155 0.13827
|
|
73 20G+1 0.00000 -0.46976 0.64751 0.00000 0.00000
|
|
74 20G-1 0.00000 -0.47639 0.63904 0.00000 0.00000
|
|
75 20G+2 -0.37688 0.00000 0.00000 1.28890 0.44276
|
|
76 20G-2 0.47284 0.00000 0.00000 -0.45826 0.94462
|
|
77 20G+3 0.00000 -0.59735 0.75091 0.00000 0.00000
|
|
78 20G-3 0.00000 -0.18639 1.01635 0.00000 0.00000
|
|
79 20G+4 -0.25415 0.00000 0.00000 0.69412 -1.42489
|
|
80 20G-4 0.11139 0.00000 0.00000 0.71116 0.50336
|
|
81 21H 0 0.00000 0.10201 -0.07496 0.00000 0.00000
|
|
82 21H+1 -0.03147 0.00000 0.00000 0.03172 0.04161
|
|
83 21H-1 0.08320 0.00000 0.00000 0.07149 0.04453
|
|
84 21H+2 0.00000 0.06929 -0.00447 0.00000 0.00000
|
|
85 21H-2 0.00000 -0.04844 0.10402 0.00000 0.00000
|
|
86 21H+3 -0.01483 0.00000 0.00000 0.01910 -0.15247
|
|
87 21H-3 0.02476 0.00000 0.00000 0.16480 0.04229
|
|
88 21H+4 0.00000 0.03307 -0.11638 0.00000 0.00000
|
|
89 21H-4 0.00000 -0.03902 0.01614 0.00000 0.00000
|
|
90 21H+5 0.06374 0.00000 0.00000 -0.07189 -0.01975
|
|
91 21H-5 0.05788 0.00000 0.00000 0.06057 -0.16617
|
|
92 2 S 1S 0.02914 0.00000 0.00000 0.09802 -0.03193
|
|
93 2S 0.00367 0.00000 0.00000 -0.02500 0.00169
|
|
94 3S 0.43516 0.00000 0.00000 1.35455 -0.46101
|
|
95 4S 1.35562 0.00000 0.00000 3.19637 -1.18888
|
|
96 5S -2.41019 0.00000 0.00000 -3.22875 1.14341
|
|
97 6S 0.10182 0.00000 0.00000 0.57343 0.05083
|
|
98 7S 1.64042 0.00000 0.00000 0.20464 -0.07478
|
|
99 8PX 0.00968 0.00000 0.00000 0.00452 0.00828
|
|
100 8PY -0.00056 0.00000 0.00000 -0.04596 0.01470
|
|
101 8PZ 0.00000 -0.01006 0.00087 0.00000 0.00000
|
|
102 9PX -0.05913 0.00000 0.00000 -0.07481 -0.02224
|
|
103 9PY 0.01761 0.00000 0.00000 0.23493 -0.05477
|
|
104 9PZ 0.00000 0.02761 0.00505 0.00000 0.00000
|
|
105 10PX -0.37899 0.00000 0.00000 -0.69678 -0.22031
|
|
106 10PY 0.20878 0.00000 0.00000 1.76586 -0.37501
|
|
107 10PZ 0.00000 0.18140 0.03987 0.00000 0.00000
|
|
108 11PX 0.63482 0.00000 0.00000 1.79052 0.76554
|
|
109 11PY -1.35653 0.00000 0.00000 -3.89776 0.68361
|
|
110 11PZ 0.00000 -0.30863 -0.02213 0.00000 0.00000
|
|
111 12PX 0.01880 0.00000 0.00000 0.87716 0.01618
|
|
112 12PY 0.04490 0.00000 0.00000 0.82000 -2.43577
|
|
113 12PZ 0.00000 0.11714 -0.27507 0.00000 0.00000
|
|
114 13PX -0.00770 0.00000 0.00000 0.07139 -0.17493
|
|
115 13PY 0.25072 0.00000 0.00000 -0.02528 -0.03367
|
|
116 13PZ 0.00000 -0.01063 0.02046 0.00000 0.00000
|
|
117 14D 0 -0.95741 0.00000 0.00000 -0.80246 0.17235
|
|
118 14D+1 0.00000 -0.16350 -0.06512 0.00000 0.00000
|
|
119 14D-1 0.00000 0.24829 -0.13937 0.00000 0.00000
|
|
120 14D+2 0.62299 0.00000 0.00000 -0.17925 1.00330
|
|
121 14D-2 -2.03859 0.00000 0.00000 0.13293 -2.10023
|
|
122 15D 0 0.00314 0.00000 0.00000 0.51876 -0.12479
|
|
123 15D+1 0.00000 -0.19044 0.09877 0.00000 0.00000
|
|
124 15D-1 0.00000 -0.19696 -0.16533 0.00000 0.00000
|
|
125 15D+2 0.74097 0.00000 0.00000 3.07749 -0.30028
|
|
126 15D-2 0.13547 0.00000 0.00000 0.04457 -0.09258
|
|
127 16D 0 0.08939 0.00000 0.00000 -0.14868 0.01987
|
|
128 16D+1 0.00000 0.03443 -0.01944 0.00000 0.00000
|
|
129 16D-1 0.00000 0.04618 0.05521 0.00000 0.00000
|
|
130 16D+2 -0.15310 0.00000 0.00000 -0.63447 0.11525
|
|
131 16D-2 0.01292 0.00000 0.00000 -0.01524 0.00593
|
|
132 17D 0 0.04903 0.00000 0.00000 -0.05261 -0.05579
|
|
133 17D+1 0.00000 0.03813 -0.04418 0.00000 0.00000
|
|
134 17D-1 0.00000 0.06237 -0.00505 0.00000 0.00000
|
|
135 17D+2 0.01260 0.00000 0.00000 -0.05225 0.04594
|
|
136 17D-2 0.06138 0.00000 0.00000 -0.01822 -0.04813
|
|
137 18F 0 0.00000 -0.07115 0.17563 0.00000 0.00000
|
|
138 18F+1 -0.01581 0.00000 0.00000 -0.06659 -0.01669
|
|
139 18F-1 -0.45568 0.00000 0.00000 -0.58143 0.35443
|
|
140 18F+2 0.00000 -0.31537 0.00156 0.00000 0.00000
|
|
141 18F-2 0.00000 -0.04822 0.02950 0.00000 0.00000
|
|
142 18F+3 1.80351 0.00000 0.00000 0.22274 1.09428
|
|
143 18F-3 -0.16273 0.00000 0.00000 -0.19682 -0.57542
|
|
144 19F 0 0.00000 0.28297 0.13176 0.00000 0.00000
|
|
145 19F+1 -0.20890 0.00000 0.00000 -0.27817 0.04437
|
|
146 19F-1 -0.30945 0.00000 0.00000 0.90037 0.02655
|
|
147 19F+2 0.00000 0.24127 -0.06773 0.00000 0.00000
|
|
148 19F-2 0.00000 -0.33774 0.34278 0.00000 0.00000
|
|
149 19F+3 1.12706 0.00000 0.00000 0.66286 -0.23158
|
|
150 19F-3 -0.06279 0.00000 0.00000 1.32324 -0.78112
|
|
151 20F 0 0.00000 -0.12967 -0.03258 0.00000 0.00000
|
|
152 20F+1 0.04531 0.00000 0.00000 -0.09723 -0.04226
|
|
153 20F-1 0.22055 0.00000 0.00000 -0.12578 -0.03390
|
|
154 20F+2 0.00000 -0.13123 0.10604 0.00000 0.00000
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|
155 20F-2 0.00000 0.17248 -0.17845 0.00000 0.00000
|
|
156 20F+3 -0.54884 0.00000 0.00000 -0.01872 0.08390
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|
157 20F-3 0.15026 0.00000 0.00000 -0.28328 0.17411
|
|
158 21G 0 0.45518 0.00000 0.00000 0.08275 -0.15275
|
|
159 21G+1 0.00000 0.14032 -0.00518 0.00000 0.00000
|
|
160 21G-1 0.00000 0.13482 0.21570 0.00000 0.00000
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|
161 21G+2 0.26273 0.00000 0.00000 -0.12737 -0.02556
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|
162 21G-2 0.11789 0.00000 0.00000 0.00751 0.16924
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163 21G+3 0.00000 0.18933 -0.37866 0.00000 0.00000
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164 21G-3 0.00000 -0.20603 -0.16319 0.00000 0.00000
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165 21G+4 0.95816 0.00000 0.00000 -0.01121 0.83088
|
|
166 21G-4 1.72485 0.00000 0.00000 0.34223 0.02322
|
|
167 22G 0 -0.12795 0.00000 0.00000 -0.22398 0.02444
|
|
168 22G+1 0.00000 -0.02633 -0.08245 0.00000 0.00000
|
|
169 22G-1 0.00000 0.04296 -0.04577 0.00000 0.00000
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|
170 22G+2 -0.27558 0.00000 0.00000 -0.49432 0.07067
|
|
171 22G-2 -0.02107 0.00000 0.00000 -0.00310 -0.12696
|
|
172 22G+3 0.00000 0.00636 0.04699 0.00000 0.00000
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173 22G-3 0.00000 0.23365 0.11629 0.00000 0.00000
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174 22G+4 -0.17340 0.00000 0.00000 -0.22880 -0.17802
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|
175 22G-4 -0.59478 0.00000 0.00000 -0.12292 -0.13905
|
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176 23H 0 0.00000 -0.16977 -0.08292 0.00000 0.00000
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177 23H+1 0.13680 0.00000 0.00000 0.02278 -0.07105
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|
178 23H-1 0.18804 0.00000 0.00000 -0.17681 -0.10441
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179 23H+2 0.00000 -0.17480 -0.02968 0.00000 0.00000
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180 23H-2 0.00000 0.18007 -0.10337 0.00000 0.00000
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181 23H+3 -0.32550 0.00000 0.00000 -0.07053 0.00624
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182 23H-3 0.13366 0.00000 0.00000 -0.28098 -0.01017
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183 23H+4 0.00000 0.03096 0.07579 0.00000 0.00000
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184 23H-4 0.00000 0.17210 -0.36937 0.00000 0.00000
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185 23H+5 -0.50751 0.00000 0.00000 0.02107 0.27008
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|
186 23H-5 0.75594 0.00000 0.00000 -0.15024 0.43682
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187 3 H 1S -0.02662 0.00000 0.00000 -0.00433 -0.00130
|
|
188 2S 0.12705 0.00000 0.00000 0.53033 0.02496
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|
189 3S -1.79961 0.00000 0.00000 -2.55153 -1.30529
|
|
190 4S -1.78704 0.00000 0.00000 -0.86234 -0.57359
|
|
191 5S 0.00060 0.00000 0.00000 -0.06363 0.20458
|
|
192 6PX -0.02940 0.00000 0.00000 0.02642 0.02242
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|
193 6PY 0.00794 0.00000 0.00000 -0.04481 0.08353
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194 6PZ 0.00000 0.00960 0.01341 0.00000 0.00000
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195 7PX 0.28606 0.00000 0.00000 -0.26218 -0.18672
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196 7PY -0.03239 0.00000 0.00000 0.40743 -0.75141
|
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197 7PZ 0.00000 -0.07397 -0.12292 0.00000 0.00000
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198 8PX 0.10196 0.00000 0.00000 1.61690 0.48303
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199 8PY -0.98457 0.00000 0.00000 -1.07119 0.78230
|
|
200 8PZ 0.00000 0.07117 0.21921 0.00000 0.00000
|
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201 9PX 0.67493 0.00000 0.00000 0.36767 0.45675
|
|
202 9PY -0.42742 0.00000 0.00000 -0.48894 1.16833
|
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203 9PZ 0.00000 0.18664 0.08870 0.00000 0.00000
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204 10D 0 -0.03625 0.00000 0.00000 -0.02626 -0.00483
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205 10D+1 0.00000 -0.00484 -0.01326 0.00000 0.00000
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206 10D-1 0.00000 0.00371 -0.00967 0.00000 0.00000
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207 10D+2 -0.01004 0.00000 0.00000 0.04582 -0.02397
|
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208 10D-2 -0.03503 0.00000 0.00000 -0.01818 -0.05672
|
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209 11D 0 0.25518 0.00000 0.00000 0.21238 0.04051
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210 11D+1 0.00000 0.02585 0.08666 0.00000 0.00000
|
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211 11D-1 0.00000 -0.01533 0.09027 0.00000 0.00000
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212 11D+2 0.06268 0.00000 0.00000 -0.35915 0.14926
|
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213 11D-2 0.24334 0.00000 0.00000 0.16832 0.40337
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214 12D 0 -0.12132 0.00000 0.00000 0.22582 -0.28947
|
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215 12D+1 0.00000 -0.10868 -0.13890 0.00000 0.00000
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216 12D-1 0.00000 0.09339 0.06997 0.00000 0.00000
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217 12D+2 0.19699 0.00000 0.00000 -0.01400 -0.72474
|
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218 12D-2 0.44697 0.00000 0.00000 0.52735 -0.84135
|
|
219 13F 0 0.00000 0.00695 0.00068 0.00000 0.00000
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220 13F+1 0.01717 0.00000 0.00000 0.00117 -0.00418
|
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221 13F-1 0.01129 0.00000 0.00000 -0.00307 0.01385
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222 13F+2 0.00000 -0.00347 0.01191 0.00000 0.00000
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223 13F-2 0.00000 -0.00340 0.00831 0.00000 0.00000
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224 13F+3 0.02342 0.00000 0.00000 0.00702 -0.01919
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225 13F-3 -0.03185 0.00000 0.00000 -0.00778 -0.00518
|
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226 14F 0 0.00000 -0.05069 0.02025 0.00000 0.00000
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227 14F+1 -0.08594 0.00000 0.00000 -0.07132 0.07980
|
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228 14F-1 -0.06753 0.00000 0.00000 0.06067 -0.12529
|
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229 14F+2 0.00000 0.03113 -0.01655 0.00000 0.00000
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230 14F-2 0.00000 -0.03317 -0.10299 0.00000 0.00000
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231 14F+3 -0.25152 0.00000 0.00000 -0.00030 0.34336
|
|
232 14F-3 0.07010 0.00000 0.00000 -0.09815 0.07946
|
|
233 15G 0 0.00119 0.00000 0.00000 -0.00069 -0.00090
|
|
234 15G+1 0.00000 -0.00569 -0.00228 0.00000 0.00000
|
|
235 15G-1 0.00000 0.00028 -0.00535 0.00000 0.00000
|
|
236 15G+2 -0.00631 0.00000 0.00000 0.00183 -0.00158
|
|
237 15G-2 -0.01426 0.00000 0.00000 0.00119 -0.01645
|
|
238 15G+3 0.00000 0.00226 -0.00524 0.00000 0.00000
|
|
239 15G-3 0.00000 0.00520 -0.00051 0.00000 0.00000
|
|
240 15G+4 -0.00085 0.00000 0.00000 -0.00128 0.01013
|
|
241 15G-4 0.02157 0.00000 0.00000 0.01136 0.00562
|
|
242 4 H 1S -0.01853 0.00000 0.00000 0.03192 0.06023
|
|
243 2S 0.35909 0.00000 0.00000 0.18733 -0.17782
|
|
244 3S -15.68189 0.00000 0.00000 12.00510 12.43060
|
|
245 4S -2.53314 0.00000 0.00000 4.79433 10.69186
|
|
246 5S -0.02692 0.00000 0.00000 -0.22053 -0.51675
|
|
247 6PX 0.02791 0.00000 0.00000 -0.07658 -0.07146
|
|
248 6PY -0.06700 0.00000 0.00000 0.06226 0.07227
|
|
249 6PZ 0.00000 -0.12780 -0.11084 0.00000 0.00000
|
|
250 7PX -0.02406 0.00000 0.00000 0.60928 0.42312
|
|
251 7PY 0.52225 0.00000 0.00000 -0.57340 -0.56731
|
|
252 7PZ 0.00000 1.18843 1.04739 0.00000 0.00000
|
|
253 8PX -6.66464 0.00000 0.00000 4.35119 5.79426
|
|
254 8PY 0.16194 0.00000 0.00000 0.19993 -2.21314
|
|
255 8PZ 0.00000 -2.86382 -2.57165 0.00000 0.00000
|
|
256 9PX -1.69089 0.00000 0.00000 2.00215 4.25111
|
|
257 9PY -0.22634 0.00000 0.00000 0.12456 -1.31351
|
|
258 9PZ 0.00000 -0.68259 -1.25926 0.00000 0.00000
|
|
259 10D 0 -0.05860 0.00000 0.00000 0.04316 0.03770
|
|
260 10D+1 0.00000 0.03813 0.03095 0.00000 0.00000
|
|
261 10D-1 0.00000 -0.03771 0.01664 0.00000 0.00000
|
|
262 10D+2 0.10248 0.00000 0.00000 -0.03352 -0.08800
|
|
263 10D-2 -0.01898 0.00000 0.00000 -0.00470 0.13665
|
|
264 11D 0 0.66485 0.00000 0.00000 -0.54338 -0.43094
|
|
265 11D+1 0.00000 -0.28066 -0.27894 0.00000 0.00000
|
|
266 11D-1 0.00000 0.28098 -0.12932 0.00000 0.00000
|
|
267 11D+2 -1.09758 0.00000 0.00000 0.60696 0.91110
|
|
268 11D-2 0.27544 0.00000 0.00000 -0.02301 -1.29871
|
|
269 12D 0 0.28379 0.00000 0.00000 -0.16853 -0.49065
|
|
270 12D+1 0.00000 -1.39877 -1.51276 0.00000 0.00000
|
|
271 12D-1 0.00000 0.80906 0.43885 0.00000 0.00000
|
|
272 12D+2 -0.29818 0.00000 0.00000 0.40824 1.09612
|
|
273 12D-2 -0.97819 0.00000 0.00000 1.11250 -0.96616
|
|
274 13F 0 0.00000 -0.01415 -0.00279 0.00000 0.00000
|
|
275 13F+1 0.03820 0.00000 0.00000 -0.01252 -0.03100
|
|
276 13F-1 -0.00165 0.00000 0.00000 -0.00226 0.01099
|
|
277 13F+2 0.00000 0.00897 -0.00384 0.00000 0.00000
|
|
278 13F-2 0.00000 -0.03297 0.00510 0.00000 0.00000
|
|
279 13F+3 -0.03317 0.00000 0.00000 0.02334 -0.00441
|
|
280 13F-3 0.03671 0.00000 0.00000 -0.04386 0.00146
|
|
281 14F 0 0.00000 0.40211 0.43054 0.00000 0.00000
|
|
282 14F+1 -0.05814 0.00000 0.00000 -0.02267 0.03997
|
|
283 14F-1 -0.08042 0.00000 0.00000 -0.09355 -0.03947
|
|
284 14F+2 0.00000 -0.40993 -0.38629 0.00000 0.00000
|
|
285 14F-2 0.00000 0.60985 0.06098 0.00000 0.00000
|
|
286 14F+3 -0.07128 0.00000 0.00000 0.14079 0.25105
|
|
287 14F-3 -0.64547 0.00000 0.00000 0.72488 -0.60802
|
|
288 15G 0 -0.00426 0.00000 0.00000 0.00971 0.00973
|
|
289 15G+1 0.00000 0.01043 0.02241 0.00000 0.00000
|
|
290 15G-1 0.00000 -0.00411 0.01290 0.00000 0.00000
|
|
291 15G+2 0.02011 0.00000 0.00000 0.00770 -0.00674
|
|
292 15G-2 0.00357 0.00000 0.00000 -0.00974 0.00913
|
|
293 15G+3 0.00000 -0.00205 -0.01661 0.00000 0.00000
|
|
294 15G-3 0.00000 0.00832 0.01513 0.00000 0.00000
|
|
295 15G+4 -0.00999 0.00000 0.00000 -0.00036 0.00711
|
|
296 15G-4 -0.01247 0.00000 0.00000 0.00327 -0.02603
|
|
297 5 H 1S 0.00841 0.02804 -0.04190 -0.00733 -0.03488
|
|
298 2S 0.04938 -0.04901 0.05510 0.32785 0.13334
|
|
299 3S -4.48124 8.97986 -11.86239 -0.28915 -14.41543
|
|
300 4S 2.29822 4.89985 -6.74952 -2.99014 -4.07788
|
|
301 5S -0.07141 -0.20812 0.22399 0.03286 0.23104
|
|
302 6PX -0.02092 -0.07134 -0.12433 0.00597 -0.01770
|
|
303 6PY -0.00720 0.11162 -0.06846 -0.00327 -0.06517
|
|
304 6PZ -0.01313 0.05854 0.00535 0.01873 -0.05333
|
|
305 7PX 0.17696 0.72406 1.08937 -0.07537 0.07449
|
|
306 7PY 0.05394 -0.96119 0.55087 -0.01602 0.54906
|
|
307 7PZ 0.10942 -0.44183 -0.20911 -0.23572 0.33969
|
|
308 8PX 0.50502 -3.59840 -0.27671 -0.00383 2.87514
|
|
309 8PY 0.31421 -0.26843 1.84774 1.18274 1.24440
|
|
310 8PZ 0.49425 -2.50546 5.62339 0.87228 4.52808
|
|
311 9PX -0.39501 -1.80961 0.70478 0.25809 1.00983
|
|
312 9PY -0.38409 -0.07064 0.76489 0.77396 -0.10693
|
|
313 9PZ -1.07925 -1.49588 2.92158 1.13598 1.69391
|
|
314 10D 0 0.00539 -0.00227 0.07022 0.01100 0.03120
|
|
315 10D+1 0.00713 -0.03349 0.00051 0.00487 0.06439
|
|
316 10D-1 0.00091 -0.06892 0.11194 0.05934 0.04736
|
|
317 10D+2 0.01263 -0.00656 -0.00988 -0.00343 0.01488
|
|
318 10D-2 0.03428 -0.03551 0.01721 0.03015 0.05335
|
|
319 11D 0 -0.09451 0.14628 -0.69925 -0.04121 -0.46597
|
|
320 11D+1 -0.17569 0.41559 -0.19981 0.04900 -0.72468
|
|
321 11D-1 -0.09343 0.68156 -1.05747 -0.54077 -0.56736
|
|
322 11D+2 -0.10416 0.08239 0.04994 0.08350 -0.12642
|
|
323 11D-2 -0.33176 0.34145 -0.24718 -0.26423 -0.48797
|
|
324 12D 0 0.56642 -0.16097 -1.38938 -0.42279 -0.39418
|
|
325 12D+1 0.58916 1.14805 0.26092 -0.02196 -0.35096
|
|
326 12D-1 0.60352 -0.66925 -0.72166 -0.84622 0.71017
|
|
327 12D+2 -0.06499 0.90731 0.22712 0.07495 -0.36873
|
|
328 12D-2 0.42225 0.21501 0.58955 -0.46588 -0.02322
|
|
329 13F 0 -0.00624 -0.00345 -0.00569 0.00274 0.01423
|
|
330 13F+1 0.02545 -0.02447 0.03376 0.00964 0.02911
|
|
331 13F-1 0.01702 -0.00887 -0.01189 -0.01159 0.03707
|
|
332 13F+2 0.00384 0.00771 0.00833 -0.00597 -0.00583
|
|
333 13F-2 0.00973 -0.01099 0.02450 -0.00826 0.00688
|
|
334 13F+3 -0.00222 0.00073 -0.02218 -0.00308 -0.00838
|
|
335 13F-3 0.01104 0.00021 0.00726 -0.02033 -0.00351
|
|
336 14F 0 0.03452 0.18695 0.42913 0.00475 0.10405
|
|
337 14F+1 -0.33753 -0.04629 -0.15611 -0.07759 -0.03060
|
|
338 14F-1 -0.22911 0.13792 0.55734 0.42752 -0.37756
|
|
339 14F+2 0.05129 -0.50319 -0.26811 -0.13492 0.23350
|
|
340 14F-2 -0.09624 -0.00976 -0.20064 0.31676 0.04272
|
|
341 14F+3 0.06641 -0.07887 0.20108 -0.04993 0.07298
|
|
342 14F-3 -0.11958 -0.11417 -0.10999 0.25291 0.10912
|
|
343 15G 0 -0.00047 -0.01002 -0.00575 -0.00373 -0.00626
|
|
344 15G+1 -0.00055 0.00500 -0.00833 -0.01165 -0.01283
|
|
345 15G-1 0.00017 -0.00637 -0.01935 -0.00731 -0.00975
|
|
346 15G+2 -0.00193 0.01440 -0.00040 -0.00071 -0.00430
|
|
347 15G-2 0.00718 0.00590 -0.00655 -0.01718 0.00309
|
|
348 15G+3 -0.00381 0.00366 0.00823 -0.00357 0.00664
|
|
349 15G-3 -0.00791 0.00497 0.00138 -0.00095 -0.00910
|
|
350 15G+4 0.00306 0.00210 -0.00204 0.00352 -0.00365
|
|
351 15G-4 -0.00186 0.01509 0.00196 0.00833 0.00152
|
|
352 6 H 1S 0.00841 -0.02804 0.04190 -0.00733 -0.03488
|
|
353 2S 0.04938 0.04901 -0.05510 0.32785 0.13334
|
|
354 3S -4.48124 -8.97986 11.86239 -0.28915 -14.41543
|
|
355 4S 2.29822 -4.89985 6.74952 -2.99014 -4.07788
|
|
356 5S -0.07141 0.20812 -0.22399 0.03286 0.23104
|
|
357 6PX -0.02092 0.07134 0.12433 0.00597 -0.01770
|
|
358 6PY -0.00720 -0.11162 0.06846 -0.00327 -0.06517
|
|
359 6PZ 0.01313 0.05854 0.00535 -0.01873 0.05333
|
|
360 7PX 0.17696 -0.72406 -1.08937 -0.07537 0.07449
|
|
361 7PY 0.05394 0.96119 -0.55087 -0.01602 0.54906
|
|
362 7PZ -0.10942 -0.44183 -0.20911 0.23572 -0.33969
|
|
363 8PX 0.50502 3.59840 0.27671 -0.00383 2.87514
|
|
364 8PY 0.31421 0.26843 -1.84774 1.18274 1.24440
|
|
365 8PZ -0.49425 -2.50546 5.62339 -0.87228 -4.52808
|
|
366 9PX -0.39501 1.80961 -0.70478 0.25809 1.00983
|
|
367 9PY -0.38409 0.07064 -0.76489 0.77396 -0.10693
|
|
368 9PZ 1.07925 -1.49588 2.92158 -1.13598 -1.69391
|
|
369 10D 0 0.00539 0.00227 -0.07022 0.01100 0.03120
|
|
370 10D+1 -0.00713 -0.03349 0.00051 -0.00487 -0.06439
|
|
371 10D-1 -0.00091 -0.06892 0.11194 -0.05934 -0.04736
|
|
372 10D+2 0.01263 0.00656 0.00988 -0.00343 0.01488
|
|
373 10D-2 0.03428 0.03551 -0.01721 0.03015 0.05335
|
|
374 11D 0 -0.09451 -0.14628 0.69925 -0.04121 -0.46597
|
|
375 11D+1 0.17569 0.41559 -0.19981 -0.04900 0.72468
|
|
376 11D-1 0.09343 0.68156 -1.05747 0.54077 0.56736
|
|
377 11D+2 -0.10416 -0.08239 -0.04994 0.08350 -0.12642
|
|
378 11D-2 -0.33176 -0.34145 0.24718 -0.26423 -0.48797
|
|
379 12D 0 0.56642 0.16097 1.38938 -0.42279 -0.39418
|
|
380 12D+1 -0.58916 1.14805 0.26092 0.02196 0.35096
|
|
381 12D-1 -0.60352 -0.66925 -0.72166 0.84622 -0.71017
|
|
382 12D+2 -0.06499 -0.90731 -0.22712 0.07495 -0.36873
|
|
383 12D-2 0.42225 -0.21501 -0.58955 -0.46588 -0.02322
|
|
384 13F 0 0.00624 -0.00345 -0.00569 -0.00274 -0.01423
|
|
385 13F+1 0.02545 0.02447 -0.03376 0.00964 0.02911
|
|
386 13F-1 0.01702 0.00887 0.01189 -0.01159 0.03707
|
|
387 13F+2 -0.00384 0.00771 0.00833 0.00597 0.00583
|
|
388 13F-2 -0.00973 -0.01099 0.02450 0.00826 -0.00688
|
|
389 13F+3 -0.00222 -0.00073 0.02218 -0.00308 -0.00838
|
|
390 13F-3 0.01104 -0.00021 -0.00726 -0.02033 -0.00351
|
|
391 14F 0 -0.03452 0.18695 0.42913 -0.00475 -0.10405
|
|
392 14F+1 -0.33753 0.04629 0.15611 -0.07759 -0.03060
|
|
393 14F-1 -0.22911 -0.13792 -0.55734 0.42752 -0.37756
|
|
394 14F+2 -0.05129 -0.50319 -0.26811 0.13492 -0.23350
|
|
395 14F-2 0.09624 -0.00976 -0.20064 -0.31676 -0.04272
|
|
396 14F+3 0.06641 0.07887 -0.20108 -0.04993 0.07298
|
|
397 14F-3 -0.11958 0.11417 0.10999 0.25291 0.10912
|
|
398 15G 0 -0.00047 0.01002 0.00575 -0.00373 -0.00626
|
|
399 15G+1 0.00055 0.00500 -0.00833 0.01165 0.01283
|
|
400 15G-1 -0.00017 -0.00637 -0.01935 0.00731 0.00975
|
|
401 15G+2 -0.00193 -0.01440 0.00040 -0.00071 -0.00430
|
|
402 15G-2 0.00718 -0.00590 0.00655 -0.01718 0.00309
|
|
403 15G+3 0.00381 0.00366 0.00823 0.00357 -0.00664
|
|
404 15G-3 0.00791 0.00497 0.00138 0.00095 0.00910
|
|
405 15G+4 0.00306 -0.00210 0.00204 0.00352 -0.00365
|
|
406 15G-4 -0.00186 -0.01509 -0.00196 0.00833 0.00152
|
|
246 247 248 249 250
|
|
V V V V V
|
|
Eigenvalues -- 7.19308 7.20601 7.46817 7.47983 7.59188
|
|
1 1 C 1S 0.00000 -0.00140 -0.00347 0.00000 0.00000
|
|
2 2S 0.00000 0.00844 0.00819 0.00000 0.00000
|
|
3 3S 0.00000 -0.03235 -0.07343 0.00000 0.00000
|
|
4 4S 0.00000 1.37185 1.69898 0.00000 0.00000
|
|
5 5S 0.00000 -2.78730 -3.96917 0.00000 0.00000
|
|
6 6S 0.00000 0.29001 0.34709 0.00000 0.00000
|
|
7 7PX 0.00000 0.08596 0.13441 0.00000 0.00000
|
|
8 7PY 0.00000 -0.03051 -0.02477 0.00000 0.00000
|
|
9 7PZ 0.12606 0.00000 0.00000 -0.18897 -0.18155
|
|
10 8PX 0.00000 -2.98372 -0.76841 0.00000 0.00000
|
|
11 8PY 0.00000 -0.09120 0.27838 0.00000 0.00000
|
|
12 8PZ -3.38450 0.00000 0.00000 0.70943 0.47873
|
|
13 9PX 0.00000 16.40950 10.33690 0.00000 0.00000
|
|
14 9PY 0.00000 0.30234 -1.44925 0.00000 0.00000
|
|
15 9PZ 19.65268 0.00000 0.00000 -12.82720 -11.90879
|
|
16 10PX 0.00000 11.31158 6.21820 0.00000 0.00000
|
|
17 10PY 0.00000 1.62996 -0.19208 0.00000 0.00000
|
|
18 10PZ 13.74153 0.00000 0.00000 -7.65930 -4.38075
|
|
19 11PX 0.00000 0.35471 0.22683 0.00000 0.00000
|
|
20 11PY 0.00000 -0.01142 -0.07934 0.00000 0.00000
|
|
21 11PZ 0.24394 0.00000 0.00000 -0.18758 -0.16867
|
|
22 12D 0 0.00000 0.01116 -0.05329 0.00000 0.00000
|
|
23 12D+1 0.00103 0.00000 0.00000 0.08743 0.08528
|
|
24 12D-1 0.00314 0.00000 0.00000 0.05427 0.09579
|
|
25 12D+2 0.00000 -0.00245 0.03893 0.00000 0.00000
|
|
26 12D-2 0.00000 0.01416 -0.02153 0.00000 0.00000
|
|
27 13D 0 0.00000 -0.01234 0.40181 0.00000 0.00000
|
|
28 13D+1 0.22907 0.00000 0.00000 -0.74659 -0.73270
|
|
29 13D-1 0.36168 0.00000 0.00000 -0.93636 -0.42923
|
|
30 13D+2 0.00000 -0.17078 -0.33375 0.00000 0.00000
|
|
31 13D-2 0.00000 0.29616 0.59204 0.00000 0.00000
|
|
32 14D 0 0.00000 1.90574 3.78150 0.00000 0.00000
|
|
33 14D+1 4.10366 0.00000 0.00000 -6.53448 -12.77440
|
|
34 14D-1 3.55773 0.00000 0.00000 -8.60780 0.99468
|
|
35 14D+2 0.00000 -1.59935 -2.76744 0.00000 0.00000
|
|
36 14D-2 0.00000 1.76515 7.87736 0.00000 0.00000
|
|
37 15D 0 0.00000 2.82464 1.45451 0.00000 0.00000
|
|
38 15D+1 3.33389 0.00000 0.00000 -2.01552 -2.92484
|
|
39 15D-1 1.32570 0.00000 0.00000 -1.29343 -0.52466
|
|
40 15D+2 0.00000 -1.22687 -0.82552 0.00000 0.00000
|
|
41 15D-2 0.00000 0.32401 1.18364 0.00000 0.00000
|
|
42 16F 0 -0.12764 0.00000 0.00000 -0.01685 0.08316
|
|
43 16F+1 0.00000 -0.02510 0.03530 0.00000 0.00000
|
|
44 16F-1 0.00000 -0.03671 -0.09293 0.00000 0.00000
|
|
45 16F+2 -0.09343 0.00000 0.00000 -0.10060 0.01767
|
|
46 16F-2 -0.07715 0.00000 0.00000 0.10446 -0.02770
|
|
47 16F+3 0.00000 -0.14906 0.07317 0.00000 0.00000
|
|
48 16F-3 0.00000 -0.00563 0.09437 0.00000 0.00000
|
|
49 17F 0 1.47651 0.00000 0.00000 0.40797 -2.65086
|
|
50 17F+1 0.00000 0.24743 -0.68097 0.00000 0.00000
|
|
51 17F-1 0.00000 0.14167 2.11133 0.00000 0.00000
|
|
52 17F+2 0.93833 0.00000 0.00000 2.63687 -0.34055
|
|
53 17F-2 0.77806 0.00000 0.00000 -3.08344 -1.00293
|
|
54 17F+3 0.00000 1.51822 -1.62667 0.00000 0.00000
|
|
55 17F-3 0.00000 0.06399 -2.31905 0.00000 0.00000
|
|
56 18F 0 1.69621 0.00000 0.00000 0.21087 -2.19213
|
|
57 18F+1 0.00000 0.18658 -0.66033 0.00000 0.00000
|
|
58 18F-1 0.00000 -1.39116 0.96721 0.00000 0.00000
|
|
59 18F+2 0.63661 0.00000 0.00000 1.68259 -0.77925
|
|
60 18F-2 -0.60073 0.00000 0.00000 -2.09608 -1.57151
|
|
61 18F+3 0.00000 1.36918 -0.84777 0.00000 0.00000
|
|
62 18F-3 0.00000 0.76147 -1.70045 0.00000 0.00000
|
|
63 19G 0 0.00000 0.02066 -0.03727 0.00000 0.00000
|
|
64 19G+1 0.04858 0.00000 0.00000 -0.14695 -0.10136
|
|
65 19G-1 -0.00414 0.00000 0.00000 -0.05065 -0.03237
|
|
66 19G+2 0.00000 0.05374 0.09188 0.00000 0.00000
|
|
67 19G-2 0.00000 -0.01579 0.02612 0.00000 0.00000
|
|
68 19G+3 0.04193 0.00000 0.00000 0.01675 0.04628
|
|
69 19G-3 -0.03020 0.00000 0.00000 -0.06393 -0.08054
|
|
70 19G+4 0.00000 -0.02798 -0.05449 0.00000 0.00000
|
|
71 19G-4 0.00000 -0.04205 0.04610 0.00000 0.00000
|
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|
331 13F-1 0.02887 0.00132 0.01614 -0.03054 -0.02592
|
|
332 13F+2 0.00846 -0.00605 -0.01347 0.00886 -0.01174
|
|
333 13F-2 0.01140 0.01225 0.00701 -0.02488 0.01039
|
|
334 13F+3 -0.00177 -0.00464 0.00495 0.00148 -0.02346
|
|
335 13F-3 0.00639 0.01396 0.00005 -0.00509 0.00247
|
|
336 14F 0 -0.54737 0.27388 0.09860 -0.50590 0.19872
|
|
337 14F+1 -0.27554 -0.19443 0.40923 -0.72910 0.05712
|
|
338 14F-1 -0.14448 0.42168 -0.12653 0.17166 -0.53221
|
|
339 14F+2 -0.14522 -0.43427 0.34337 -0.59136 0.61762
|
|
340 14F-2 0.37057 -0.24089 -0.12254 0.25868 -0.49183
|
|
341 14F+3 -0.12198 -0.15683 0.11448 -0.23462 0.38834
|
|
342 14F-3 0.11558 -0.37545 0.05755 -0.09515 -0.03798
|
|
343 15G 0 0.02241 -0.00817 -0.00251 0.00633 -0.02243
|
|
344 15G+1 0.00563 -0.01118 -0.00144 0.01605 -0.00436
|
|
345 15G-1 0.00221 -0.00823 -0.01173 0.00759 0.02577
|
|
346 15G+2 -0.00004 0.02749 -0.01214 0.01481 -0.01813
|
|
347 15G-2 -0.01828 -0.00485 -0.00825 0.01602 0.01985
|
|
348 15G+3 0.00792 0.00401 -0.01095 0.01982 -0.01406
|
|
349 15G-3 -0.00652 0.00860 0.00809 0.01748 0.00081
|
|
350 15G+4 0.01373 -0.00156 0.00102 0.00796 0.00646
|
|
351 15G-4 0.00332 0.00222 -0.00107 0.00425 0.00407
|
|
352 6 H 1S 0.04534 -0.01869 -0.01992 -0.03892 -0.01412
|
|
353 2S 0.23842 -0.19520 0.39043 1.06933 1.02460
|
|
354 3S 12.86346 -4.17660 -4.98031 -14.44084 -13.11453
|
|
355 4S 9.21323 -4.90551 -3.08850 -6.44341 -4.92038
|
|
356 5S -0.38107 0.16552 0.05847 0.10223 -0.01577
|
|
357 6PX 0.01021 -0.11245 0.00197 0.01147 -0.04384
|
|
358 6PY -0.05513 0.03845 -0.02155 -0.04591 0.09786
|
|
359 6PZ -0.17205 0.03016 -0.00976 -0.02533 -0.03746
|
|
360 7PX -0.00947 1.08155 -0.08571 -0.26437 0.32011
|
|
361 7PY 0.59470 -0.37817 0.17684 0.37067 -1.07881
|
|
362 7PZ 1.50474 -0.23369 0.19965 0.52020 0.58962
|
|
363 8PX -3.89624 -2.63386 2.03351 4.23749 1.58057
|
|
364 8PY -4.44569 1.86718 -0.84013 -1.11716 6.23271
|
|
365 8PZ 2.12898 -2.55212 -2.73289 -7.38289 -5.05178
|
|
366 9PX -1.86873 -0.29877 0.59795 1.60236 0.41330
|
|
367 9PY -2.44637 1.44456 0.35136 0.47770 2.03489
|
|
368 9PZ 2.00843 -1.57294 -1.29727 -2.88802 -2.19243
|
|
369 10D 0 -0.00799 0.05545 0.04294 0.15554 -0.02181
|
|
370 10D+1 0.07277 0.01194 -0.09293 -0.15713 -0.05450
|
|
371 10D-1 0.05985 -0.04840 0.03569 0.05508 -0.13458
|
|
372 10D+2 -0.00463 -0.02758 0.06205 0.09577 -0.03737
|
|
373 10D-2 -0.06914 -0.04580 -0.01713 -0.01687 0.07906
|
|
374 11D 0 0.21700 -0.66223 -0.40954 -1.41150 0.08313
|
|
375 11D+1 -0.90372 -0.07002 0.80490 1.40142 0.47495
|
|
376 11D-1 -0.72035 0.52944 -0.30418 -0.40225 1.32035
|
|
377 11D+2 0.06268 0.28928 -0.55484 -0.85065 0.44243
|
|
378 11D-2 0.74099 0.39674 0.11959 0.13717 -0.67092
|
|
379 12D 0 -1.44123 -0.91829 -0.66703 -1.45694 -0.61105
|
|
380 12D+1 -0.33848 -1.13049 0.69350 1.51584 0.02688
|
|
381 12D-1 -0.92440 0.85913 -0.16167 -0.38276 2.16103
|
|
382 12D+2 -0.18847 1.16865 -0.21460 -0.69509 1.05607
|
|
383 12D-2 0.97199 0.16144 0.08408 0.16206 -1.04891
|
|
384 13F 0 -0.00073 -0.01712 -0.00316 0.01338 -0.00744
|
|
385 13F+1 -0.03762 0.01028 -0.01232 -0.01410 0.01075
|
|
386 13F-1 -0.02887 0.00132 0.01614 0.03054 0.02592
|
|
387 13F+2 0.00846 0.00605 0.01347 0.00886 -0.01174
|
|
388 13F-2 0.01140 -0.01225 -0.00701 -0.02488 0.01039
|
|
389 13F+3 0.00177 -0.00464 0.00495 -0.00148 0.02346
|
|
390 13F-3 -0.00639 0.01396 0.00005 0.00509 -0.00247
|
|
391 14F 0 -0.54737 -0.27388 -0.09860 -0.50590 0.19872
|
|
392 14F+1 0.27554 -0.19443 0.40923 0.72910 -0.05712
|
|
393 14F-1 0.14448 0.42168 -0.12653 -0.17166 0.53221
|
|
394 14F+2 -0.14522 0.43427 -0.34337 -0.59136 0.61762
|
|
395 14F-2 0.37057 0.24089 0.12254 0.25868 -0.49183
|
|
396 14F+3 0.12198 -0.15683 0.11448 0.23462 -0.38834
|
|
397 14F-3 -0.11558 -0.37545 0.05755 0.09515 0.03798
|
|
398 15G 0 -0.02241 -0.00817 -0.00251 -0.00633 0.02243
|
|
399 15G+1 0.00563 0.01118 0.00144 0.01605 -0.00436
|
|
400 15G-1 0.00221 0.00823 0.01173 0.00759 0.02577
|
|
401 15G+2 0.00004 0.02749 -0.01214 -0.01481 0.01813
|
|
402 15G-2 0.01828 -0.00485 -0.00825 -0.01602 -0.01985
|
|
403 15G+3 0.00792 -0.00401 0.01095 0.01982 -0.01406
|
|
404 15G-3 -0.00652 -0.00860 -0.00809 0.01748 0.00081
|
|
405 15G+4 -0.01373 -0.00156 0.00102 -0.00796 -0.00646
|
|
406 15G-4 -0.00332 0.00222 -0.00107 -0.00425 -0.00407
|
|
251 252 253 254 255
|
|
V V V V V
|
|
Eigenvalues -- 7.63280 7.64785 7.65112 7.66316 7.68213
|
|
1 1 C 1S -0.00982 0.01988 0.00000 0.00686 0.00000
|
|
2 2S 0.00629 -0.04129 0.00000 0.02217 0.00000
|
|
3 3S -0.23822 0.29841 0.00000 0.26425 0.00000
|
|
4 4S 1.58239 -1.14744 0.00000 -0.59639 0.00000
|
|
5 5S -0.20278 -4.44665 0.00000 -3.05847 0.00000
|
|
6 6S 0.45382 0.14156 0.00000 -0.80952 0.00000
|
|
7 7PX 0.09757 -0.00889 0.00000 0.20009 0.00000
|
|
8 7PY -0.00119 0.01996 0.00000 -0.00153 0.00000
|
|
9 7PZ 0.00000 0.00000 -0.11015 0.00000 -0.05223
|
|
10 8PX -0.48714 -0.17706 0.00000 -0.36677 0.00000
|
|
11 8PY 0.71757 -1.20142 0.00000 -0.50407 0.00000
|
|
12 8PZ 0.00000 0.00000 0.30172 0.00000 0.27848
|
|
13 9PX 7.05598 0.89416 0.00000 12.16684 0.00000
|
|
14 9PY -3.86661 6.54824 0.00000 3.65680 0.00000
|
|
15 9PZ 0.00000 0.00000 -7.23646 0.00000 -4.35885
|
|
16 10PX 3.47369 1.15600 0.00000 5.53464 0.00000
|
|
17 10PY -0.57924 2.50315 0.00000 1.28164 0.00000
|
|
18 10PZ 0.00000 0.00000 -3.23347 0.00000 -2.20117
|
|
19 11PX 0.18366 0.06066 0.00000 0.02154 0.00000
|
|
20 11PY -0.09501 -0.07479 0.00000 -0.00384 0.00000
|
|
21 11PZ 0.00000 0.00000 -0.10590 0.00000 0.09668
|
|
22 12D 0 -0.03428 0.00895 0.00000 -0.09772 0.00000
|
|
23 12D+1 0.00000 0.00000 0.05255 0.00000 0.02530
|
|
24 12D-1 0.00000 0.00000 0.04828 0.00000 0.02388
|
|
25 12D+2 0.02856 0.00411 0.00000 0.05813 0.00000
|
|
26 12D-2 -0.04056 0.01247 0.00000 -0.08001 0.00000
|
|
27 13D 0 0.40856 -0.07441 0.00000 0.68744 0.00000
|
|
28 13D+1 0.00000 0.00000 -0.43379 0.00000 -0.17040
|
|
29 13D-1 0.00000 0.00000 -0.37347 0.00000 -0.15870
|
|
30 13D+2 -0.15427 -0.02440 0.00000 -0.54121 0.00000
|
|
31 13D-2 0.16682 -0.01119 0.00000 0.63554 0.00000
|
|
32 14D 0 8.89784 -3.24768 0.00000 9.80653 0.00000
|
|
33 14D+1 0.00000 0.00000 -6.89494 0.00000 -2.05240
|
|
34 14D-1 0.00000 0.00000 -1.28962 0.00000 -2.09049
|
|
35 14D+2 -1.31254 -5.01250 0.00000 -8.88385 0.00000
|
|
36 14D-2 -2.50866 0.08714 0.00000 -0.00726 0.00000
|
|
37 15D 0 2.40782 -0.44499 0.00000 2.43386 0.00000
|
|
38 15D+1 0.00000 0.00000 -1.69680 0.00000 -0.77415
|
|
39 15D-1 0.00000 0.00000 -0.28433 0.00000 -0.33750
|
|
40 15D+2 -0.58311 -0.95043 0.00000 -2.07675 0.00000
|
|
41 15D-2 -0.00562 0.09571 0.00000 -0.20456 0.00000
|
|
42 16F 0 0.00000 0.00000 -0.07916 0.00000 0.00320
|
|
43 16F+1 -0.02809 0.03088 0.00000 0.00926 0.00000
|
|
44 16F-1 0.02984 -0.03278 0.00000 -0.02480 0.00000
|
|
45 16F+2 0.00000 0.00000 0.06966 0.00000 -0.00740
|
|
46 16F-2 0.00000 0.00000 0.01878 0.00000 0.00203
|
|
47 16F+3 -0.05321 0.00240 0.00000 -0.03641 0.00000
|
|
48 16F-3 0.00147 -0.02325 0.00000 -0.00423 0.00000
|
|
49 17F 0 0.00000 0.00000 2.86315 0.00000 -0.11420
|
|
50 17F+1 1.00739 -1.17501 0.00000 -0.70527 0.00000
|
|
51 17F-1 -0.06981 0.63437 0.00000 1.96884 0.00000
|
|
52 17F+2 0.00000 0.00000 -2.43815 0.00000 0.32631
|
|
53 17F-2 0.00000 0.00000 -1.51120 0.00000 -0.50465
|
|
54 17F+3 1.61185 0.18929 0.00000 0.77675 0.00000
|
|
55 17F-3 -0.50022 0.85722 0.00000 -0.75305 0.00000
|
|
56 18F 0 0.00000 0.00000 1.15844 0.00000 0.06649
|
|
57 18F+1 1.14618 -2.05481 0.00000 -0.89616 0.00000
|
|
58 18F-1 -0.04737 0.59876 0.00000 2.10168 0.00000
|
|
59 18F+2 0.00000 0.00000 -1.49516 0.00000 0.15501
|
|
60 18F-2 0.00000 0.00000 -1.34556 0.00000 -0.84242
|
|
61 18F+3 1.55149 0.15542 0.00000 1.10032 0.00000
|
|
62 18F-3 -0.83227 1.25287 0.00000 -0.55327 0.00000
|
|
63 19G 0 -0.03037 -0.00040 0.00000 -0.09130 0.00000
|
|
64 19G+1 0.00000 0.00000 -0.07120 0.00000 -0.03783
|
|
65 19G-1 0.00000 0.00000 -0.13254 0.00000 -0.01512
|
|
66 19G+2 0.02685 -0.00009 0.00000 0.10517 0.00000
|
|
67 19G-2 0.04523 -0.05744 0.00000 0.01491 0.00000
|
|
68 19G+3 0.00000 0.00000 -0.00293 0.00000 0.00783
|
|
69 19G-3 0.00000 0.00000 0.07145 0.00000 -0.02219
|
|
70 19G+4 0.00357 0.00858 0.00000 -0.06339 0.00000
|
|
71 19G-4 0.03069 0.02547 0.00000 0.06296 0.00000
|
|
72 20G 0 0.85692 -0.68424 0.00000 0.26061 0.00000
|
|
73 20G+1 0.00000 0.00000 0.08466 0.00000 0.17520
|
|
74 20G-1 0.00000 0.00000 1.42630 0.00000 -0.24580
|
|
75 20G+2 0.91180 -0.65638 0.00000 -0.75363 0.00000
|
|
76 20G-2 -0.43548 0.77234 0.00000 0.23395 0.00000
|
|
77 20G+3 0.00000 0.00000 0.20105 0.00000 -0.06360
|
|
78 20G-3 0.00000 0.00000 -1.56868 0.00000 -0.05310
|
|
79 20G+4 -0.17264 -0.77758 0.00000 -0.20889 0.00000
|
|
80 20G-4 0.03248 -0.43779 0.00000 -0.13670 0.00000
|
|
81 21H 0 0.00000 0.00000 0.12037 0.00000 0.03261
|
|
82 21H+1 0.25211 -0.14185 0.00000 0.19514 0.00000
|
|
83 21H-1 0.22273 -0.06892 0.00000 0.18961 0.00000
|
|
84 21H+2 0.00000 0.00000 -0.11879 0.00000 0.02503
|
|
85 21H-2 0.00000 0.00000 0.01238 0.00000 -0.01637
|
|
86 21H+3 0.09406 -0.21644 0.00000 -0.20004 0.00000
|
|
87 21H-3 -0.05184 -0.05100 0.00000 -0.13786 0.00000
|
|
88 21H+4 0.00000 0.00000 0.00603 0.00000 0.05304
|
|
89 21H-4 0.00000 0.00000 -0.10192 0.00000 -0.00288
|
|
90 21H+5 0.06402 0.09810 0.00000 0.07243 0.00000
|
|
91 21H-5 -0.06753 -0.05962 0.00000 -0.00143 0.00000
|
|
92 2 S 1S -0.00862 0.03048 0.00000 0.01583 0.00000
|
|
93 2S 0.01899 -0.00735 0.00000 -0.01194 0.00000
|
|
94 3S -0.06862 0.46168 0.00000 0.19664 0.00000
|
|
95 4S 0.27122 1.35293 0.00000 0.19106 0.00000
|
|
96 5S -1.37680 -2.22759 0.00000 1.02960 0.00000
|
|
97 6S 0.50099 0.73850 0.00000 -1.79516 0.00000
|
|
98 7S 0.65131 0.46426 0.00000 -0.78307 0.00000
|
|
99 8PX 0.02418 0.01506 0.00000 -0.02540 0.00000
|
|
100 8PY 0.01753 -0.00044 0.00000 -0.00933 0.00000
|
|
101 8PZ 0.00000 0.00000 0.00253 0.00000 0.03714
|
|
102 9PX -0.07477 -0.07467 0.00000 0.07357 0.00000
|
|
103 9PY -0.06395 0.00410 0.00000 0.02925 0.00000
|
|
104 9PZ 0.00000 0.00000 -0.00096 0.00000 -0.14099
|
|
105 10PX -0.30632 -0.51342 0.00000 0.38881 0.00000
|
|
106 10PY -0.52551 -0.03613 0.00000 0.24459 0.00000
|
|
107 10PZ 0.00000 0.00000 0.00374 0.00000 -1.15292
|
|
108 11PX -0.69475 0.57784 0.00000 0.49769 0.00000
|
|
109 11PY 1.19316 -0.25287 0.00000 -0.83006 0.00000
|
|
110 11PZ 0.00000 0.00000 -0.09710 0.00000 2.15544
|
|
111 12PX 0.63957 0.01072 0.00000 -3.07718 0.00000
|
|
112 12PY 0.72307 1.97447 0.00000 1.14341 0.00000
|
|
113 12PZ 0.00000 0.00000 0.15429 0.00000 1.23782
|
|
114 13PX 0.17911 0.12874 0.00000 -0.14529 0.00000
|
|
115 13PY -0.03987 -0.10167 0.00000 -0.01853 0.00000
|
|
116 13PZ 0.00000 0.00000 0.00390 0.00000 -0.07341
|
|
117 14D 0 -0.54958 -0.26499 0.00000 0.48018 0.00000
|
|
118 14D+1 0.00000 0.00000 -0.01398 0.00000 0.70602
|
|
119 14D-1 0.00000 0.00000 0.12540 0.00000 0.17045
|
|
120 14D+2 0.47701 -0.24233 0.00000 -1.36277 0.00000
|
|
121 14D-2 0.16691 0.74409 0.00000 -0.18691 0.00000
|
|
122 15D 0 -0.01244 0.00444 0.00000 0.31920 0.00000
|
|
123 15D+1 0.00000 0.00000 0.02954 0.00000 2.90532
|
|
124 15D-1 0.00000 0.00000 -0.08529 0.00000 -0.39031
|
|
125 15D+2 -0.27098 1.55027 0.00000 0.01078 0.00000
|
|
126 15D-2 0.94918 1.50188 0.00000 0.12119 0.00000
|
|
127 16D 0 0.08078 0.02839 0.00000 -0.11814 0.00000
|
|
128 16D+1 0.00000 0.00000 -0.00162 0.00000 -0.46643
|
|
129 16D-1 0.00000 0.00000 0.03929 0.00000 0.04723
|
|
130 16D+2 -0.09763 -0.36370 0.00000 0.10874 0.00000
|
|
131 16D-2 -0.14354 -0.25660 0.00000 -0.08506 0.00000
|
|
132 17D 0 0.10948 0.02650 0.00000 -0.04596 0.00000
|
|
133 17D+1 0.00000 0.00000 -0.02352 0.00000 -0.28881
|
|
134 17D-1 0.00000 0.00000 -0.04542 0.00000 0.05429
|
|
135 17D+2 -0.10839 -0.13329 0.00000 0.05523 0.00000
|
|
136 17D-2 0.01423 -0.08244 0.00000 0.10419 0.00000
|
|
137 18F 0 0.00000 0.00000 -0.08682 0.00000 -0.21710
|
|
138 18F+1 -0.08299 -0.09017 0.00000 0.38411 0.00000
|
|
139 18F-1 -0.19556 -0.15264 0.00000 -0.09041 0.00000
|
|
140 18F+2 0.00000 0.00000 -0.04915 0.00000 -0.01197
|
|
141 18F-2 0.00000 0.00000 -0.08458 0.00000 -0.01884
|
|
142 18F+3 0.26747 -0.12324 0.00000 -0.14312 0.00000
|
|
143 18F-3 0.15440 0.12645 0.00000 0.03619 0.00000
|
|
144 19F 0 0.00000 0.00000 0.00477 0.00000 -1.69001
|
|
145 19F+1 -0.28481 -0.16390 0.00000 0.43110 0.00000
|
|
146 19F-1 -0.28241 -0.17345 0.00000 -0.08300 0.00000
|
|
147 19F+2 0.00000 0.00000 -0.09778 0.00000 2.16711
|
|
148 19F-2 0.00000 0.00000 0.04661 0.00000 -0.67004
|
|
149 19F+3 0.58661 1.20613 0.00000 -0.00045 0.00000
|
|
150 19F-3 0.34850 1.77544 0.00000 0.62157 0.00000
|
|
151 20F 0 0.00000 0.00000 0.00755 0.00000 0.17999
|
|
152 20F+1 0.15318 -0.04634 0.00000 -0.15736 0.00000
|
|
153 20F-1 0.06915 -0.01080 0.00000 0.06410 0.00000
|
|
154 20F+2 0.00000 0.00000 0.08368 0.00000 -0.25275
|
|
155 20F-2 0.00000 0.00000 -0.03657 0.00000 0.12904
|
|
156 20F+3 -0.29813 -0.21140 0.00000 -0.09396 0.00000
|
|
157 20F-3 0.03574 -0.23238 0.00000 -0.22533 0.00000
|
|
158 21G 0 0.14437 0.01401 0.00000 -0.13181 0.00000
|
|
159 21G+1 0.00000 0.00000 -0.02201 0.00000 -0.69499
|
|
160 21G-1 0.00000 0.00000 -0.02494 0.00000 0.01436
|
|
161 21G+2 -0.00869 -0.18895 0.00000 0.24598 0.00000
|
|
162 21G-2 -0.06713 -0.11974 0.00000 0.07045 0.00000
|
|
163 21G+3 0.00000 0.00000 -0.05070 0.00000 0.68597
|
|
164 21G-3 0.00000 0.00000 -0.19033 0.00000 -0.28005
|
|
165 21G+4 0.27207 0.19490 0.00000 -0.36760 0.00000
|
|
166 21G-4 0.30584 0.43063 0.00000 0.53031 0.00000
|
|
167 22G 0 0.06840 0.08797 0.00000 -0.02462 0.00000
|
|
168 22G+1 0.00000 0.00000 -0.03184 0.00000 -0.79770
|
|
169 22G-1 0.00000 0.00000 0.04324 0.00000 0.11928
|
|
170 22G+2 -0.19143 -0.23663 0.00000 0.07044 0.00000
|
|
171 22G-2 -0.08888 -0.14350 0.00000 -0.01276 0.00000
|
|
172 22G+3 0.00000 0.00000 -0.02412 0.00000 0.62739
|
|
173 22G-3 0.00000 0.00000 0.02416 0.00000 -0.23434
|
|
174 22G+4 0.30532 0.40820 0.00000 -0.18989 0.00000
|
|
175 22G-4 -0.00973 0.45094 0.00000 -0.03199 0.00000
|
|
176 23H 0 0.00000 0.00000 -0.02356 0.00000 0.49910
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|
177 23H+1 0.19914 0.06404 0.00000 -0.18444 0.00000
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178 23H-1 0.06276 -0.00181 0.00000 0.07527 0.00000
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179 23H+2 0.00000 0.00000 -0.02046 0.00000 -0.59380
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180 23H-2 0.00000 0.00000 -0.01387 0.00000 0.17148
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|
181 23H+3 -0.14557 -0.32849 0.00000 0.05590 0.00000
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182 23H-3 0.03981 -0.22666 0.00000 0.00152 0.00000
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183 23H+4 0.00000 0.00000 0.13360 0.00000 0.51260
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184 23H-4 0.00000 0.00000 -0.16428 0.00000 -0.21093
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185 23H+5 0.35192 0.47439 0.00000 -0.41104 0.00000
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186 23H-5 -0.01581 0.17191 0.00000 -0.05190 0.00000
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187 3 H 1S -0.10530 -0.06831 0.00000 0.07637 0.00000
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188 2S -0.64027 -0.17202 0.00000 0.30396 0.00000
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189 3S 0.04054 -0.86455 0.00000 1.71316 0.00000
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190 4S 0.28003 0.83637 0.00000 1.50660 0.00000
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191 5S -0.29895 -0.35041 0.00000 0.07212 0.00000
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192 6PX -0.15807 -0.09114 0.00000 0.10247 0.00000
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193 6PY -0.01982 -0.08358 0.00000 -0.02858 0.00000
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194 6PZ 0.00000 0.00000 0.00299 0.00000 -0.13334
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195 7PX 1.42023 0.78035 0.00000 -0.91452 0.00000
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196 7PY 0.20343 0.77285 0.00000 0.29896 0.00000
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197 7PZ 0.00000 0.00000 -0.03638 0.00000 1.15602
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198 8PX -1.56767 -0.28143 0.00000 0.29381 0.00000
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199 8PY -0.90843 -2.45932 0.00000 -0.31278 0.00000
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200 8PZ 0.00000 0.00000 -0.03248 0.00000 -3.79033
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201 9PX -0.34179 -0.37713 0.00000 -0.48354 0.00000
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202 9PY -0.39456 -0.76395 0.00000 0.01552 0.00000
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203 9PZ 0.00000 0.00000 0.06075 0.00000 -0.86492
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204 10D 0 -0.02267 -0.02271 0.00000 0.02238 0.00000
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205 10D+1 0.00000 0.00000 -0.01254 0.00000 -0.17500
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206 10D-1 0.00000 0.00000 0.00307 0.00000 0.02206
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207 10D+2 0.03075 0.02829 0.00000 -0.03637 0.00000
|
|
208 10D-2 -0.04236 -0.10081 0.00000 0.03625 0.00000
|
|
209 11D 0 0.11577 0.14309 0.00000 -0.14165 0.00000
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210 11D+1 0.00000 0.00000 0.08393 0.00000 1.52044
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|
211 11D-1 0.00000 0.00000 -0.04184 0.00000 -0.19060
|
|
212 11D+2 -0.13795 -0.14971 0.00000 0.23455 0.00000
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213 11D-2 0.31208 0.84593 0.00000 -0.23808 0.00000
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|
214 12D 0 -0.48668 -0.08608 0.00000 0.28547 0.00000
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215 12D+1 0.00000 0.00000 -0.03744 0.00000 2.05116
|
|
216 12D-1 0.00000 0.00000 0.17392 0.00000 -0.27300
|
|
217 12D+2 0.89736 0.68874 0.00000 -0.34147 0.00000
|
|
218 12D-2 0.49311 1.40485 0.00000 0.40339 0.00000
|
|
219 13F 0 0.00000 0.00000 -0.00127 0.00000 -0.08746
|
|
220 13F+1 -0.01580 -0.01155 0.00000 0.01261 0.00000
|
|
221 13F-1 -0.00350 -0.01978 0.00000 0.00210 0.00000
|
|
222 13F+2 0.00000 0.00000 0.00541 0.00000 0.10847
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|
223 13F-2 0.00000 0.00000 0.00351 0.00000 -0.02947
|
|
224 13F+3 0.02044 0.03013 0.00000 -0.01142 0.00000
|
|
225 13F-3 0.02125 0.06952 0.00000 -0.01475 0.00000
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|
226 14F 0 0.00000 0.00000 -0.02103 0.00000 0.95445
|
|
227 14F+1 0.19745 0.06607 0.00000 -0.10821 0.00000
|
|
228 14F-1 0.06135 0.24761 0.00000 0.01242 0.00000
|
|
229 14F+2 0.00000 0.00000 -0.05408 0.00000 -1.19647
|
|
230 14F-2 0.00000 0.00000 -0.08759 0.00000 0.31703
|
|
231 14F+3 -0.30923 -0.39339 0.00000 0.04592 0.00000
|
|
232 14F-3 -0.28231 -0.86006 0.00000 -0.02912 0.00000
|
|
233 15G 0 -0.00470 -0.00541 0.00000 0.00610 0.00000
|
|
234 15G+1 0.00000 0.00000 -0.00556 0.00000 0.01466
|
|
235 15G-1 0.00000 0.00000 0.00086 0.00000 -0.00236
|
|
236 15G+2 0.01043 0.00706 0.00000 -0.00929 0.00000
|
|
237 15G-2 -0.00249 0.00571 0.00000 0.00140 0.00000
|
|
238 15G+3 0.00000 0.00000 -0.00740 0.00000 -0.01238
|
|
239 15G-3 0.00000 0.00000 -0.00248 0.00000 0.00602
|
|
240 15G+4 -0.00788 -0.01066 0.00000 0.00721 0.00000
|
|
241 15G-4 0.00192 -0.00064 0.00000 0.00529 0.00000
|
|
242 4 H 1S 0.01192 -0.00644 0.00000 0.02660 0.00000
|
|
243 2S -0.36459 -0.35687 0.00000 -1.68781 0.00000
|
|
244 3S 8.59063 3.11421 0.00000 18.48557 0.00000
|
|
245 4S 3.66324 1.19415 0.00000 7.07197 0.00000
|
|
246 5S 0.01251 -0.01020 0.00000 -0.08578 0.00000
|
|
247 6PX -0.00950 -0.00926 0.00000 0.03542 0.00000
|
|
248 6PY -0.03149 -0.08967 0.00000 -0.12142 0.00000
|
|
249 6PZ 0.00000 0.00000 -0.05749 0.00000 0.00259
|
|
250 7PX -0.05434 0.04874 0.00000 -0.73916 0.00000
|
|
251 7PY 0.36141 0.91639 0.00000 1.30819 0.00000
|
|
252 7PZ 0.00000 0.00000 0.56447 0.00000 -0.01192
|
|
253 8PX 3.57089 0.37189 0.00000 8.71693 0.00000
|
|
254 8PY -2.83499 -4.09215 0.00000 -5.84378 0.00000
|
|
255 8PZ 0.00000 0.00000 0.68161 0.00000 -0.48151
|
|
256 9PX 1.55512 0.20920 0.00000 3.36859 0.00000
|
|
257 9PY -0.84101 -1.42275 0.00000 -2.53864 0.00000
|
|
258 9PZ 0.00000 0.00000 -0.38875 0.00000 -0.20891
|
|
259 10D 0 0.02942 0.00918 0.00000 0.09716 0.00000
|
|
260 10D+1 0.00000 0.00000 -0.13321 0.00000 0.02133
|
|
261 10D-1 0.00000 0.00000 0.03465 0.00000 -0.01608
|
|
262 10D+2 -0.00760 0.03230 0.00000 -0.09647 0.00000
|
|
263 10D-2 0.08546 0.09194 0.00000 0.11087 0.00000
|
|
264 11D 0 -0.38979 -0.09776 0.00000 -0.90628 0.00000
|
|
265 11D+1 0.00000 0.00000 1.02068 0.00000 -0.18604
|
|
266 11D-1 0.00000 0.00000 -0.18503 0.00000 0.16141
|
|
267 11D+2 0.16003 -0.35685 0.00000 0.81480 0.00000
|
|
268 11D-2 -0.80531 -1.01053 0.00000 -1.18221 0.00000
|
|
269 12D 0 -0.19825 -0.48748 0.00000 -1.42219 0.00000
|
|
270 12D+1 0.00000 0.00000 -0.32212 0.00000 -0.17493
|
|
271 12D-1 0.00000 0.00000 -0.14133 0.00000 -0.02539
|
|
272 12D+2 0.27326 -0.94775 0.00000 0.55767 0.00000
|
|
273 12D-2 -1.03798 -1.57614 0.00000 -2.64563 0.00000
|
|
274 13F 0 0.00000 0.00000 0.01438 0.00000 -0.00265
|
|
275 13F+1 -0.01565 0.01087 0.00000 0.02157 0.00000
|
|
276 13F-1 -0.00225 -0.00538 0.00000 -0.00414 0.00000
|
|
277 13F+2 0.00000 0.00000 0.00820 0.00000 -0.00378
|
|
278 13F-2 0.00000 0.00000 0.05084 0.00000 -0.00971
|
|
279 13F+3 0.01538 0.01578 0.00000 0.02605 0.00000
|
|
280 13F-3 -0.00375 -0.00048 0.00000 -0.02510 0.00000
|
|
281 14F 0 0.00000 0.00000 -0.08176 0.00000 0.05384
|
|
282 14F+1 -0.01485 -0.09949 0.00000 -0.53639 0.00000
|
|
283 14F-1 0.10412 0.22374 0.00000 0.22334 0.00000
|
|
284 14F+2 0.00000 0.00000 0.12534 0.00000 -0.04630
|
|
285 14F-2 0.00000 0.00000 -0.18816 0.00000 0.09799
|
|
286 14F+3 -0.17501 -0.57360 0.00000 -0.34990 0.00000
|
|
287 14F-3 -0.36422 -0.52345 0.00000 -0.74698 0.00000
|
|
288 15G 0 0.01497 -0.00906 0.00000 0.00536 0.00000
|
|
289 15G+1 0.00000 0.00000 -0.00444 0.00000 0.00082
|
|
290 15G-1 0.00000 0.00000 -0.00029 0.00000 0.00011
|
|
291 15G+2 -0.00165 0.00678 0.00000 0.00164 0.00000
|
|
292 15G-2 0.00073 0.01233 0.00000 0.01558 0.00000
|
|
293 15G+3 0.00000 0.00000 0.03195 0.00000 -0.00171
|
|
294 15G-3 0.00000 0.00000 0.01938 0.00000 -0.00186
|
|
295 15G+4 -0.00753 -0.01616 0.00000 -0.00474 0.00000
|
|
296 15G-4 -0.01866 -0.01428 0.00000 -0.04124 0.00000
|
|
297 5 H 1S -0.00657 -0.00749 0.01213 -0.00909 0.00591
|
|
298 2S 0.46723 -0.48147 -0.71286 0.56043 -0.32691
|
|
299 3S -4.84574 2.25389 8.34115 -7.54360 4.50011
|
|
300 4S -2.47424 -0.83381 3.18588 -2.74796 1.69656
|
|
301 5S 0.02513 0.09821 -0.01213 0.12089 -0.11098
|
|
302 6PX 0.04598 -0.00154 0.01680 0.08931 -0.00479
|
|
303 6PY 0.09585 -0.09862 -0.03520 0.00630 0.00693
|
|
304 6PZ -0.04436 0.00200 -0.02645 -0.02399 -0.01562
|
|
305 7PX -0.51967 0.03721 -0.13248 -1.00008 0.08156
|
|
306 7PY -1.01918 1.03669 0.41799 -0.10827 -0.05164
|
|
307 7PZ 0.37569 -0.00264 0.42403 0.13175 0.22736
|
|
308 8PX 2.49458 -0.03724 1.99059 5.63049 -1.08528
|
|
309 8PY 5.03075 -4.32602 -2.06547 0.70744 -0.27471
|
|
310 8PZ -0.35338 0.45848 -5.62223 1.68651 -2.11315
|
|
311 9PX 1.11224 0.15497 0.21134 2.21594 -0.25056
|
|
312 9PY 1.87738 -1.20831 -0.97019 0.40189 -0.15154
|
|
313 9PZ 0.00067 0.64748 -1.76072 0.51541 -0.83630
|
|
314 10D 0 -0.06302 0.03660 -0.20541 -0.01782 -0.02029
|
|
315 10D+1 0.01948 0.01257 0.06913 0.10700 -0.02925
|
|
316 10D-1 0.09338 -0.07597 -0.06348 -0.01122 -0.00863
|
|
317 10D+2 -0.02983 0.03797 0.08577 0.06217 -0.01733
|
|
318 10D-2 0.07249 -0.04598 0.05041 0.03087 -0.00469
|
|
319 11D 0 0.69601 -0.44157 1.82180 0.25325 0.20520
|
|
320 11D+1 -0.21977 -0.18290 -0.58025 -1.11389 0.29350
|
|
321 11D-1 -0.91712 0.80203 0.60103 0.10602 0.10519
|
|
322 11D+2 0.27236 -0.41012 -0.79217 -0.60491 0.16917
|
|
323 11D-2 -0.75408 0.49101 -0.37189 -0.36574 0.04766
|
|
324 12D 0 1.63773 -0.96606 1.38654 0.92221 0.42923
|
|
325 12D+1 -0.59530 -0.15283 -0.32331 -1.76948 0.30882
|
|
326 12D-1 -1.62018 1.39666 1.02375 -0.05771 0.08816
|
|
327 12D+2 0.51693 -1.01114 -0.79575 -1.16793 0.15686
|
|
328 12D-2 -1.19819 0.70581 -0.10914 -0.69256 0.02849
|
|
329 13F 0 0.02076 -0.00417 0.01215 0.01355 -0.00061
|
|
330 13F+1 -0.00327 0.01136 0.00002 -0.00110 -0.00457
|
|
331 13F-1 -0.00852 -0.00202 0.01635 0.00269 -0.00304
|
|
332 13F+2 0.01305 -0.00991 -0.01378 -0.01116 0.00235
|
|
333 13F-2 0.00428 0.00009 -0.03108 0.01458 -0.00355
|
|
334 13F+3 -0.00207 -0.00838 0.00711 -0.01326 0.00447
|
|
335 13F-3 0.00947 -0.00437 -0.02387 0.00730 -0.00077
|
|
336 14F 0 -0.88856 0.46804 -0.71783 -0.60111 -0.05919
|
|
337 14F+1 -0.12887 0.18187 -0.06089 0.31995 -0.09364
|
|
338 14F-1 0.24684 -0.31709 -0.50201 -0.20860 -0.06222
|
|
339 14F+2 -0.31450 0.48815 0.55511 0.63113 -0.10536
|
|
340 14F-2 0.58319 -0.37587 0.20079 0.25681 0.00556
|
|
341 14F+3 -0.29102 0.33122 0.17359 0.10208 -0.05463
|
|
342 14F-3 0.13616 -0.00614 0.27046 0.26391 -0.06760
|
|
343 15G 0 0.01218 -0.00843 0.03031 0.01000 -0.00060
|
|
344 15G+1 0.01704 -0.02119 0.01020 -0.00131 0.00430
|
|
345 15G-1 0.00781 0.00224 0.01212 0.00861 0.00294
|
|
346 15G+2 0.00969 -0.01916 -0.01107 -0.01445 0.00388
|
|
347 15G-2 -0.01678 0.01545 0.01402 -0.01290 0.00486
|
|
348 15G+3 0.01893 -0.00705 -0.02183 0.00204 0.00080
|
|
349 15G-3 -0.01856 0.00231 -0.00377 -0.01693 0.00438
|
|
350 15G+4 0.00355 -0.00470 -0.01086 0.00518 0.00156
|
|
351 15G-4 0.00127 -0.00286 0.00026 -0.00735 0.00223
|
|
352 6 H 1S -0.00657 -0.00749 -0.01213 -0.00909 -0.00591
|
|
353 2S 0.46723 -0.48147 0.71286 0.56043 0.32691
|
|
354 3S -4.84574 2.25389 -8.34115 -7.54360 -4.50011
|
|
355 4S -2.47424 -0.83381 -3.18588 -2.74796 -1.69656
|
|
356 5S 0.02513 0.09821 0.01213 0.12089 0.11098
|
|
357 6PX 0.04598 -0.00154 -0.01680 0.08931 0.00479
|
|
358 6PY 0.09585 -0.09862 0.03520 0.00630 -0.00693
|
|
359 6PZ 0.04436 -0.00200 -0.02645 0.02399 -0.01562
|
|
360 7PX -0.51967 0.03721 0.13248 -1.00008 -0.08156
|
|
361 7PY -1.01918 1.03669 -0.41799 -0.10827 0.05164
|
|
362 7PZ -0.37569 0.00264 0.42403 -0.13175 0.22736
|
|
363 8PX 2.49458 -0.03724 -1.99059 5.63049 1.08528
|
|
364 8PY 5.03075 -4.32602 2.06547 0.70744 0.27471
|
|
365 8PZ 0.35338 -0.45848 -5.62223 -1.68651 -2.11315
|
|
366 9PX 1.11224 0.15497 -0.21134 2.21594 0.25056
|
|
367 9PY 1.87738 -1.20831 0.97019 0.40189 0.15154
|
|
368 9PZ -0.00067 -0.64748 -1.76072 -0.51541 -0.83630
|
|
369 10D 0 -0.06302 0.03660 0.20541 -0.01782 0.02029
|
|
370 10D+1 -0.01948 -0.01257 0.06913 -0.10700 -0.02925
|
|
371 10D-1 -0.09338 0.07597 -0.06348 0.01122 -0.00863
|
|
372 10D+2 -0.02983 0.03797 -0.08577 0.06217 0.01733
|
|
373 10D-2 0.07249 -0.04598 -0.05041 0.03087 0.00469
|
|
374 11D 0 0.69601 -0.44157 -1.82180 0.25325 -0.20520
|
|
375 11D+1 0.21977 0.18290 -0.58025 1.11389 0.29350
|
|
376 11D-1 0.91712 -0.80203 0.60103 -0.10602 0.10519
|
|
377 11D+2 0.27236 -0.41012 0.79217 -0.60491 -0.16917
|
|
378 11D-2 -0.75408 0.49101 0.37189 -0.36574 -0.04766
|
|
379 12D 0 1.63773 -0.96606 -1.38654 0.92221 -0.42923
|
|
380 12D+1 0.59530 0.15283 -0.32331 1.76948 0.30882
|
|
381 12D-1 1.62018 -1.39666 1.02375 0.05771 0.08816
|
|
382 12D+2 0.51693 -1.01114 0.79575 -1.16793 -0.15686
|
|
383 12D-2 -1.19819 0.70581 0.10914 -0.69256 -0.02849
|
|
384 13F 0 -0.02076 0.00417 0.01215 -0.01355 -0.00061
|
|
385 13F+1 -0.00327 0.01136 -0.00002 -0.00110 0.00457
|
|
386 13F-1 -0.00852 -0.00202 -0.01635 0.00269 0.00304
|
|
387 13F+2 -0.01305 0.00991 -0.01378 0.01116 0.00235
|
|
388 13F-2 -0.00428 -0.00009 -0.03108 -0.01458 -0.00355
|
|
389 13F+3 -0.00207 -0.00838 -0.00711 -0.01326 -0.00447
|
|
390 13F-3 0.00947 -0.00437 0.02387 0.00730 0.00077
|
|
391 14F 0 0.88856 -0.46804 -0.71783 0.60111 -0.05919
|
|
392 14F+1 -0.12887 0.18187 0.06089 0.31995 0.09364
|
|
393 14F-1 0.24684 -0.31709 0.50201 -0.20860 0.06222
|
|
394 14F+2 0.31450 -0.48815 0.55511 -0.63113 -0.10536
|
|
395 14F-2 -0.58319 0.37587 0.20079 -0.25681 0.00556
|
|
396 14F+3 -0.29102 0.33122 -0.17359 0.10208 0.05463
|
|
397 14F-3 0.13616 -0.00614 -0.27046 0.26391 0.06760
|
|
398 15G 0 0.01218 -0.00843 -0.03031 0.01000 0.00060
|
|
399 15G+1 -0.01704 0.02119 0.01020 0.00131 0.00430
|
|
400 15G-1 -0.00781 -0.00224 0.01212 -0.00861 0.00294
|
|
401 15G+2 0.00969 -0.01916 0.01107 -0.01445 -0.00388
|
|
402 15G-2 -0.01678 0.01545 -0.01402 -0.01290 -0.00486
|
|
403 15G+3 -0.01893 0.00705 -0.02183 -0.00204 0.00080
|
|
404 15G-3 0.01856 -0.00231 -0.00377 0.01693 0.00438
|
|
405 15G+4 0.00355 -0.00470 0.01086 0.00518 -0.00156
|
|
406 15G-4 0.00127 -0.00286 -0.00026 -0.00735 -0.00223
|
|
256 257 258 259 260
|
|
V V V V V
|
|
Eigenvalues -- 7.82551 8.15022 8.17421 8.18222 9.01536
|
|
1 1 C 1S 0.00304 -0.05119 0.00000 0.01687 0.01594
|
|
2 2S 0.01132 0.12960 0.00000 -0.04989 -0.62199
|
|
3 3S 0.13731 -0.94561 0.00000 0.24386 -2.95704
|
|
4 4S -1.53961 5.92691 0.00000 -1.34037 1.90910
|
|
5 5S 4.30567 8.11910 0.00000 -3.34957 20.02376
|
|
6 6S 0.74324 2.92808 0.00000 -0.62949 3.36839
|
|
7 7PX -0.00735 0.09751 0.00000 0.29047 -0.03855
|
|
8 7PY 0.00392 0.00702 0.00000 0.03457 0.74478
|
|
9 7PZ 0.00000 0.00000 0.29328 0.00000 0.00000
|
|
10 8PX 0.16014 -0.88823 0.00000 -2.89993 0.04498
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|
|
268 11D-2 -1.15797 -0.54575 0.00000 -1.30098 0.42332
|
|
269 12D 0 0.00557 -0.07306 0.00000 -1.86389 0.15900
|
|
270 12D+1 0.00000 0.00000 -3.12235 0.00000 0.00000
|
|
271 12D-1 0.00000 0.00000 0.17920 0.00000 0.00000
|
|
272 12D+2 -1.11958 -0.11614 0.00000 3.42502 -0.41651
|
|
273 12D-2 -1.44787 -0.59486 0.00000 -1.88921 -0.08400
|
|
274 13F 0 0.00000 0.00000 -0.01978 0.00000 0.00000
|
|
275 13F+1 0.00909 -0.00633 0.00000 -0.05551 -0.00355
|
|
276 13F-1 -0.00242 0.00101 0.00000 -0.01283 0.00916
|
|
277 13F+2 0.00000 0.00000 0.03628 0.00000 0.00000
|
|
278 13F-2 0.00000 0.00000 0.03923 0.00000 0.00000
|
|
279 13F+3 0.01127 0.02992 0.00000 0.01087 -0.02618
|
|
280 13F-3 0.01110 -0.00108 0.00000 -0.01209 -0.00005
|
|
281 14F 0 0.00000 0.00000 0.76970 0.00000 0.00000
|
|
282 14F+1 -0.01169 -0.02965 0.00000 -0.33177 -0.02771
|
|
283 14F-1 0.23314 -0.00405 0.00000 0.23886 -0.07025
|
|
284 14F+2 0.00000 0.00000 -1.16405 0.00000 0.00000
|
|
285 14F-2 0.00000 0.00000 0.04129 0.00000 0.00000
|
|
286 14F+3 -0.74284 -0.32331 0.00000 0.55979 -0.01467
|
|
287 14F-3 -0.58468 -0.20290 0.00000 -0.59162 -0.03953
|
|
288 15G 0 -0.00384 0.00179 0.00000 0.04025 -0.04059
|
|
289 15G+1 0.00000 0.00000 0.03160 0.00000 0.00000
|
|
290 15G-1 0.00000 0.00000 -0.02086 0.00000 0.00000
|
|
291 15G+2 0.00800 0.00178 0.00000 -0.05764 0.02088
|
|
292 15G-2 0.01086 -0.00016 0.00000 0.00313 0.01774
|
|
293 15G+3 0.00000 0.00000 -0.01111 0.00000 0.00000
|
|
294 15G-3 0.00000 0.00000 0.03446 0.00000 0.00000
|
|
295 15G+4 -0.03297 -0.00259 0.00000 0.01166 -0.03008
|
|
296 15G-4 -0.01028 -0.00711 0.00000 -0.04952 0.01961
|
|
297 5 H 1S 0.00503 0.10051 0.01821 -0.02271 -0.00866
|
|
298 2S -0.14929 2.01465 2.00595 0.55902 1.26896
|
|
299 3S 0.30450 -8.17171 -24.51605 -12.13182 -7.77691
|
|
300 4S 1.25068 -4.14599 -10.95628 -6.01647 -3.00094
|
|
301 5S -0.02717 0.05226 0.04699 0.03686 -0.23978
|
|
302 6PX 0.01806 0.05598 0.10575 -0.07151 0.02233
|
|
303 6PY -0.03763 0.03514 0.03993 0.01027 0.00772
|
|
304 6PZ 0.01379 0.17024 0.07164 0.05210 0.04067
|
|
305 7PX -0.18381 -0.58198 -1.29241 0.62647 -0.29415
|
|
306 7PY 0.39495 -0.38319 -0.53850 -0.16544 -0.08165
|
|
307 7PZ -0.11366 -1.78546 -1.09407 -0.76647 -0.54283
|
|
308 8PX 0.20811 1.79234 8.44265 -0.82830 1.76932
|
|
309 8PY -1.64432 0.97994 5.83478 3.10342 1.32678
|
|
310 8PZ 0.37364 6.04662 10.26928 7.23154 3.26255
|
|
311 9PX 0.07959 0.41036 4.05862 -0.24805 0.58373
|
|
312 9PY -0.91656 0.47123 1.59429 0.83895 0.56628
|
|
313 9PZ -0.23624 2.51330 4.74899 3.84254 1.44475
|
|
314 10D 0 0.01608 0.06665 0.02256 0.08628 0.03490
|
|
315 10D+1 -0.00668 0.03518 0.11154 -0.01059 0.06287
|
|
316 10D-1 -0.02093 0.01372 0.11133 0.07191 0.03771
|
|
317 10D+2 0.00352 0.01747 0.01556 -0.05317 -0.02374
|
|
318 10D-2 -0.01825 0.00765 0.06944 0.01846 0.01652
|
|
319 11D 0 -0.20266 -0.79555 -0.31548 -1.09822 -0.24784
|
|
320 11D+1 -0.00236 -0.37360 -1.43009 0.10505 -0.44467
|
|
321 11D-1 0.27366 -0.14360 -1.23028 -0.80020 -0.33502
|
|
322 11D+2 -0.07512 -0.18395 -0.21930 0.62746 0.10870
|
|
323 11D-2 0.22198 -0.06670 -0.77925 -0.18693 -0.17234
|
|
324 12D 0 -0.32338 -1.85725 -0.75675 -2.60697 -0.40680
|
|
325 12D+1 -0.16072 -0.77408 -2.92736 0.35080 -0.46204
|
|
326 12D-1 0.63999 -0.57702 -1.77339 -1.16986 -0.20914
|
|
327 12D+2 -0.64271 -0.10726 -1.08738 0.94471 0.00039
|
|
328 12D-2 0.35187 -0.16402 -1.27247 -0.16910 -0.03988
|
|
329 13F 0 -0.00652 -0.02268 0.02481 -0.02001 0.01715
|
|
330 13F+1 0.01070 0.01050 0.04709 0.02590 -0.00201
|
|
331 13F-1 -0.00711 0.00813 -0.00161 0.02494 0.01206
|
|
332 13F+2 -0.00158 -0.01192 -0.00761 0.02528 0.01883
|
|
333 13F-2 0.00164 -0.01222 0.01045 -0.01013 0.00233
|
|
334 13F+3 -0.01283 -0.00925 -0.02188 0.01429 0.02203
|
|
335 13F-3 -0.00572 -0.00632 0.01540 -0.00630 0.02848
|
|
336 14F 0 0.18562 0.59808 -0.45849 0.87022 -0.02295
|
|
337 14F+1 0.07152 0.24657 0.37899 0.00314 0.08154
|
|
338 14F-1 -0.09460 0.18687 0.38589 0.35293 -0.07006
|
|
339 14F+2 0.21712 0.15362 0.37611 -0.58327 -0.04836
|
|
340 14F-2 -0.17274 0.18385 0.53317 0.10351 0.02183
|
|
341 14F+3 0.19578 0.07995 0.15340 -0.34818 -0.02345
|
|
342 14F-3 -0.00090 -0.00239 0.17446 -0.07291 -0.17092
|
|
343 15G 0 0.00284 0.00594 0.02895 -0.00353 0.00711
|
|
344 15G+1 -0.01191 -0.03031 -0.03880 -0.02755 -0.05033
|
|
345 15G-1 0.00502 -0.02216 -0.01016 -0.03674 -0.02013
|
|
346 15G+2 -0.01162 -0.00255 -0.01627 0.01322 -0.02363
|
|
347 15G-2 0.00593 -0.00963 -0.03225 -0.00834 -0.00326
|
|
348 15G+3 0.00313 0.00122 0.01940 0.00685 0.00825
|
|
349 15G-3 0.00366 -0.00275 -0.03165 0.01321 -0.02328
|
|
350 15G+4 -0.00271 0.00633 0.02045 0.00010 -0.00129
|
|
351 15G-4 -0.00070 0.00021 -0.00646 0.00105 -0.02445
|
|
352 6 H 1S 0.00503 0.10051 -0.01821 -0.02271 -0.00866
|
|
353 2S -0.14929 2.01465 -2.00595 0.55902 1.26896
|
|
354 3S 0.30450 -8.17171 24.51605 -12.13182 -7.77691
|
|
355 4S 1.25068 -4.14599 10.95628 -6.01647 -3.00094
|
|
356 5S -0.02717 0.05226 -0.04699 0.03686 -0.23978
|
|
357 6PX 0.01806 0.05598 -0.10575 -0.07151 0.02233
|
|
358 6PY -0.03763 0.03514 -0.03993 0.01027 0.00772
|
|
359 6PZ -0.01379 -0.17024 0.07164 -0.05210 -0.04067
|
|
360 7PX -0.18381 -0.58198 1.29241 0.62647 -0.29415
|
|
361 7PY 0.39495 -0.38319 0.53850 -0.16544 -0.08165
|
|
362 7PZ 0.11366 1.78546 -1.09407 0.76647 0.54283
|
|
363 8PX 0.20811 1.79234 -8.44265 -0.82830 1.76932
|
|
364 8PY -1.64432 0.97994 -5.83478 3.10342 1.32678
|
|
365 8PZ -0.37364 -6.04662 10.26928 -7.23154 -3.26255
|
|
366 9PX 0.07959 0.41036 -4.05862 -0.24805 0.58373
|
|
367 9PY -0.91656 0.47123 -1.59429 0.83895 0.56628
|
|
368 9PZ 0.23624 -2.51330 4.74899 -3.84254 -1.44475
|
|
369 10D 0 0.01608 0.06665 -0.02256 0.08628 0.03490
|
|
370 10D+1 0.00668 -0.03518 0.11154 0.01059 -0.06287
|
|
371 10D-1 0.02093 -0.01372 0.11133 -0.07191 -0.03771
|
|
372 10D+2 0.00352 0.01747 -0.01556 -0.05317 -0.02374
|
|
373 10D-2 -0.01825 0.00765 -0.06944 0.01846 0.01652
|
|
374 11D 0 -0.20266 -0.79555 0.31548 -1.09822 -0.24784
|
|
375 11D+1 0.00236 0.37360 -1.43009 -0.10505 0.44467
|
|
376 11D-1 -0.27366 0.14360 -1.23028 0.80020 0.33502
|
|
377 11D+2 -0.07512 -0.18395 0.21930 0.62746 0.10870
|
|
378 11D-2 0.22198 -0.06670 0.77925 -0.18693 -0.17234
|
|
379 12D 0 -0.32338 -1.85725 0.75675 -2.60697 -0.40680
|
|
380 12D+1 0.16072 0.77408 -2.92736 -0.35080 0.46204
|
|
381 12D-1 -0.63999 0.57702 -1.77339 1.16986 0.20914
|
|
382 12D+2 -0.64271 -0.10726 1.08738 0.94471 0.00039
|
|
383 12D-2 0.35187 -0.16402 1.27247 -0.16910 -0.03988
|
|
384 13F 0 0.00652 0.02268 0.02481 0.02001 -0.01715
|
|
385 13F+1 0.01070 0.01050 -0.04709 0.02590 -0.00201
|
|
386 13F-1 -0.00711 0.00813 0.00161 0.02494 0.01206
|
|
387 13F+2 0.00158 0.01192 -0.00761 -0.02528 -0.01883
|
|
388 13F-2 -0.00164 0.01222 0.01045 0.01013 -0.00233
|
|
389 13F+3 -0.01283 -0.00925 0.02188 0.01429 0.02203
|
|
390 13F-3 -0.00572 -0.00632 -0.01540 -0.00630 0.02848
|
|
391 14F 0 -0.18562 -0.59808 -0.45849 -0.87022 0.02295
|
|
392 14F+1 0.07152 0.24657 -0.37899 0.00314 0.08154
|
|
393 14F-1 -0.09460 0.18687 -0.38589 0.35293 -0.07006
|
|
394 14F+2 -0.21712 -0.15362 0.37611 0.58327 0.04836
|
|
395 14F-2 0.17274 -0.18385 0.53317 -0.10351 -0.02183
|
|
396 14F+3 0.19578 0.07995 -0.15340 -0.34818 -0.02345
|
|
397 14F-3 -0.00090 -0.00239 -0.17446 -0.07291 -0.17092
|
|
398 15G 0 0.00284 0.00594 -0.02895 -0.00353 0.00711
|
|
399 15G+1 0.01191 0.03031 -0.03880 0.02755 0.05033
|
|
400 15G-1 -0.00502 0.02216 -0.01016 0.03674 0.02013
|
|
401 15G+2 -0.01162 -0.00255 0.01627 0.01322 -0.02363
|
|
402 15G-2 0.00593 -0.00963 0.03225 -0.00834 -0.00326
|
|
403 15G+3 -0.00313 -0.00122 0.01940 -0.00685 -0.00825
|
|
404 15G-3 -0.00366 0.00275 -0.03165 -0.01321 0.02328
|
|
405 15G+4 -0.00271 0.00633 -0.02045 0.00010 -0.00129
|
|
406 15G-4 -0.00070 0.00021 0.00646 0.00105 -0.02445
|
|
261 262 263 264 265
|
|
V V V V V
|
|
Eigenvalues -- 9.10695 9.10968 9.23689 9.30038 9.41318
|
|
1 1 C 1S 0.00000 0.00709 0.00287 0.00000 -0.00251
|
|
2 2S 0.00000 -0.36346 -0.16861 0.00000 -0.16416
|
|
3 3S 0.00000 -1.71750 -0.84329 0.00000 -0.94414
|
|
4 4S 0.00000 0.97113 0.98980 0.00000 1.43039
|
|
5 5S 0.00000 11.63779 4.20734 0.00000 5.38916
|
|
6 6S 0.00000 0.85308 0.60207 0.00000 -0.52609
|
|
7 7PX 0.00000 0.06578 -0.11031 0.00000 -0.15213
|
|
8 7PY 0.00000 0.25839 0.14971 0.00000 0.00906
|
|
9 7PZ 0.12391 0.00000 0.00000 0.01576 0.00000
|
|
10 8PX 0.00000 0.29432 0.20304 0.00000 -0.66763
|
|
11 8PY 0.00000 -0.85826 -0.33300 0.00000 -0.35168
|
|
12 8PZ -0.20450 0.00000 0.00000 -0.67776 0.00000
|
|
13 9PX 0.00000 -4.09323 -1.79469 0.00000 10.70967
|
|
14 9PY 0.00000 3.85446 1.19625 0.00000 3.01037
|
|
15 9PZ 1.99388 0.00000 0.00000 8.24053 0.00000
|
|
16 10PX 0.00000 -0.80941 0.75697 0.00000 5.36899
|
|
17 10PY 0.00000 0.88487 0.22260 0.00000 2.32324
|
|
18 10PZ -0.07869 0.00000 0.00000 2.77153 0.00000
|
|
19 11PX 0.00000 -0.29229 -0.04553 0.00000 0.12127
|
|
20 11PY 0.00000 -0.06852 -0.05473 0.00000 0.14271
|
|
21 11PZ 0.03041 0.00000 0.00000 0.28910 0.00000
|
|
22 12D 0 0.00000 -0.00527 0.01973 0.00000 0.01151
|
|
23 12D+1 -0.03772 0.00000 0.00000 -0.01961 0.00000
|
|
24 12D-1 -0.04957 0.00000 0.00000 -0.05239 0.00000
|
|
25 12D+2 0.00000 -0.00675 -0.02896 0.00000 0.01582
|
|
26 12D-2 0.00000 -0.01351 0.03929 0.00000 -0.00040
|
|
27 13D 0 0.00000 -0.10365 -0.00430 0.00000 0.28962
|
|
28 13D+1 0.01566 0.00000 0.00000 0.20443 0.00000
|
|
29 13D-1 -0.05751 0.00000 0.00000 0.27688 0.00000
|
|
30 13D+2 0.00000 0.12621 0.04067 0.00000 -0.20181
|
|
31 13D-2 0.00000 -0.17780 0.04145 0.00000 0.41340
|
|
32 14D 0 0.00000 0.18248 -0.11124 0.00000 3.92661
|
|
33 14D+1 0.69943 0.00000 0.00000 2.40634 0.00000
|
|
34 14D-1 0.94939 0.00000 0.00000 0.83732 0.00000
|
|
35 14D+2 0.00000 1.35665 0.70255 0.00000 -0.99835
|
|
36 14D-2 0.00000 -0.06870 -0.27273 0.00000 0.61246
|
|
37 15D 0 0.00000 0.32066 0.55555 0.00000 1.58139
|
|
38 15D+1 -0.22712 0.00000 0.00000 0.60114 0.00000
|
|
39 15D-1 -0.00355 0.00000 0.00000 1.00509 0.00000
|
|
40 15D+2 0.00000 -0.02658 -0.21701 0.00000 -0.27622
|
|
41 15D-2 0.00000 -0.25449 -0.22221 0.00000 0.37991
|
|
42 16F 0 -0.00895 0.00000 0.00000 0.09761 0.00000
|
|
43 16F+1 0.00000 0.04113 0.02278 0.00000 0.02686
|
|
44 16F-1 0.00000 0.00652 -0.01568 0.00000 -0.23951
|
|
45 16F+2 -0.01377 0.00000 0.00000 0.12177 0.00000
|
|
46 16F-2 -0.00155 0.00000 0.00000 -0.13199 0.00000
|
|
47 16F+3 0.00000 0.01965 -0.02999 0.00000 0.07695
|
|
48 16F-3 0.00000 -0.06379 -0.05744 0.00000 0.09567
|
|
49 17F 0 -0.17779 0.00000 0.00000 0.46085 0.00000
|
|
50 17F+1 0.00000 0.47054 0.21959 0.00000 0.54074
|
|
51 17F-1 0.00000 0.23465 0.25047 0.00000 0.24122
|
|
52 17F+2 -0.20599 0.00000 0.00000 0.52300 0.00000
|
|
53 17F-2 -0.09665 0.00000 0.00000 0.00720 0.00000
|
|
54 17F+3 0.00000 -0.45700 0.09078 0.00000 0.74968
|
|
55 17F-3 0.00000 0.30161 0.02451 0.00000 0.14665
|
|
56 18F 0 -0.14505 0.00000 0.00000 0.68373 0.00000
|
|
57 18F+1 0.00000 0.69744 0.23213 0.00000 0.74917
|
|
58 18F-1 0.00000 0.69406 0.29835 0.00000 0.40906
|
|
59 18F+2 -0.09761 0.00000 0.00000 0.90510 0.00000
|
|
60 18F-2 -0.02945 0.00000 0.00000 0.35268 0.00000
|
|
61 18F+3 0.00000 -0.36555 0.01517 0.00000 0.72490
|
|
62 18F-3 0.00000 0.12625 -0.07788 0.00000 -0.11290
|
|
63 19G 0 0.00000 0.00988 0.07017 0.00000 0.07661
|
|
64 19G+1 0.14435 0.00000 0.00000 -0.01548 0.00000
|
|
65 19G-1 -0.04976 0.00000 0.00000 0.07750 0.00000
|
|
66 19G+2 0.00000 0.04090 -0.11345 0.00000 -0.01779
|
|
67 19G-2 0.00000 0.05697 0.06079 0.00000 0.03473
|
|
68 19G+3 0.01072 0.00000 0.00000 0.05364 0.00000
|
|
69 19G-3 -0.06383 0.00000 0.00000 0.06399 0.00000
|
|
70 19G+4 0.00000 -0.05156 0.00807 0.00000 0.07774
|
|
71 19G-4 0.00000 -0.04277 0.09910 0.00000 0.06024
|
|
72 20G 0 0.00000 0.12653 0.14586 0.00000 -0.70983
|
|
73 20G+1 0.11399 0.00000 0.00000 1.11368 0.00000
|
|
74 20G-1 -0.62521 0.00000 0.00000 0.09802 0.00000
|
|
75 20G+2 0.00000 -0.41176 -0.17203 0.00000 1.15119
|
|
76 20G-2 0.00000 0.02496 0.20154 0.00000 0.27049
|
|
77 20G+3 -0.11239 0.00000 0.00000 0.14757 0.00000
|
|
78 20G-3 -0.57697 0.00000 0.00000 -0.04418 0.00000
|
|
79 20G+4 0.00000 0.15682 -0.07439 0.00000 -0.77368
|
|
80 20G-4 0.00000 -0.43936 0.75309 0.00000 0.09310
|
|
81 21H 0 -0.52563 0.00000 0.00000 0.27951 0.00000
|
|
82 21H+1 0.00000 0.08881 -0.50079 0.00000 0.29680
|
|
83 21H-1 0.00000 -0.20231 0.46744 0.00000 -0.43719
|
|
84 21H+2 0.19994 0.00000 0.00000 0.55734 0.00000
|
|
85 21H-2 -0.46325 0.00000 0.00000 0.02662 0.00000
|
|
86 21H+3 0.00000 -0.00112 0.37271 0.00000 0.18838
|
|
87 21H-3 0.00000 -0.27660 0.23253 0.00000 0.19798
|
|
88 21H+4 -0.08055 0.00000 0.00000 0.53679 0.00000
|
|
89 21H-4 -0.86837 0.00000 0.00000 -0.22128 0.00000
|
|
90 21H+5 0.00000 -0.24132 0.33898 0.00000 0.72835
|
|
91 21H-5 0.00000 0.05607 -0.63889 0.00000 0.24485
|
|
92 2 S 1S 0.00000 0.12115 0.03325 0.00000 0.03895
|
|
93 2S 0.00000 -0.01719 -0.00855 0.00000 -0.01308
|
|
94 3S 0.00000 2.08847 0.57548 0.00000 0.69807
|
|
95 4S 0.00000 6.19135 1.67805 0.00000 2.22548
|
|
96 5S 0.00000 -1.75250 -0.20255 0.00000 -1.98532
|
|
97 6S 0.00000 -16.65771 -5.18756 0.00000 -2.69842
|
|
98 7S 0.00000 -2.76465 -0.99964 0.00000 0.22598
|
|
99 8PX 0.00000 -0.06148 -0.02629 0.00000 -0.01807
|
|
100 8PY 0.00000 0.00673 0.00001 0.00000 0.03187
|
|
101 8PZ 0.00271 0.00000 0.00000 -0.00318 0.00000
|
|
102 9PX 0.00000 0.33558 0.11217 0.00000 0.09397
|
|
103 9PY 0.00000 -0.03757 -0.01212 0.00000 -0.05919
|
|
104 9PZ -0.01132 0.00000 0.00000 0.00979 0.00000
|
|
105 10PX 0.00000 4.20680 1.34572 0.00000 1.19513
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|
|
359 6PZ 0.02385 -0.00422 0.01043 0.02340 -0.01253
|
|
360 7PX 0.20039 -0.08652 -0.08621 0.09870 -0.32676
|
|
361 7PY 0.22158 0.03710 0.07745 -0.08026 -0.03921
|
|
362 7PZ -0.28611 0.09522 -0.08527 -0.32362 0.15520
|
|
363 8PX -0.55929 1.16055 0.39137 -1.32864 0.96200
|
|
364 8PY -0.25800 0.04862 0.08450 -2.21387 2.04505
|
|
365 8PZ 0.99543 -1.05334 -0.27623 2.04261 -3.05319
|
|
366 9PX -0.18980 0.53795 0.29644 -0.76863 0.82601
|
|
367 9PY -0.13320 -0.05790 0.14630 -0.56898 0.75252
|
|
368 9PZ 0.23913 -0.13863 -0.05708 1.25757 -1.49347
|
|
369 10D 0 -0.00100 0.01248 0.00842 0.04279 0.01561
|
|
370 10D+1 0.04111 -0.03873 0.00185 0.01075 0.01468
|
|
371 10D-1 -0.01263 -0.01297 -0.02479 0.07120 -0.04755
|
|
372 10D+2 0.03997 -0.00759 0.02560 0.04819 -0.05665
|
|
373 10D-2 0.02135 0.01160 0.00142 -0.04013 0.01047
|
|
374 11D 0 0.01639 -0.07771 -0.08441 -0.27405 -0.35751
|
|
375 11D+1 -0.29234 0.30644 -0.01626 -0.24441 0.07774
|
|
376 11D-1 0.16323 0.00990 0.18329 -0.55972 0.59478
|
|
377 11D+2 -0.29176 -0.05501 -0.21738 -0.41068 0.45370
|
|
378 11D-2 -0.19683 -0.09109 -0.05575 0.32621 -0.09824
|
|
379 12D 0 0.02936 0.06288 0.09159 0.32811 -0.43585
|
|
380 12D+1 -0.31755 0.29578 0.08041 -0.50339 0.53875
|
|
381 12D-1 -0.09872 -0.22675 0.02250 -0.59244 0.67539
|
|
382 12D+2 -0.19129 -0.23254 -0.23550 0.03852 0.07192
|
|
383 12D-2 0.00022 0.06033 0.04543 0.42109 -0.10813
|
|
384 13F 0 0.04325 -0.00958 -0.00975 0.02888 -0.00974
|
|
385 13F+1 0.04499 0.00685 0.01020 0.01391 -0.00720
|
|
386 13F-1 -0.04195 0.00938 -0.00634 -0.00118 -0.00230
|
|
387 13F+2 0.05467 -0.00845 0.00459 0.01688 -0.02302
|
|
388 13F-2 -0.00360 0.00415 0.01032 0.02018 -0.00800
|
|
389 13F+3 0.00111 0.02159 -0.05631 -0.01481 0.03899
|
|
390 13F-3 -0.05051 0.01954 -0.04768 0.00780 0.00369
|
|
391 14F 0 -0.20158 0.04469 0.02670 -0.15549 0.01331
|
|
392 14F+1 -0.28421 0.04725 -0.09850 -0.17579 0.20876
|
|
393 14F-1 0.22767 -0.12179 0.15109 -0.08384 0.22934
|
|
394 14F+2 -0.20508 -0.08645 -0.13536 -0.12303 0.17112
|
|
395 14F-2 -0.10481 0.02924 -0.01764 0.14353 -0.06660
|
|
396 14F+3 0.08555 0.00051 0.21670 0.13995 -0.07416
|
|
397 14F-3 0.29336 -0.02464 0.15481 -0.03548 -0.10362
|
|
398 15G 0 0.00371 0.00331 -0.00413 0.00057 -0.00006
|
|
399 15G+1 -0.00329 0.02739 -0.01203 0.01342 0.00007
|
|
400 15G-1 -0.03008 0.00798 0.02911 0.01804 -0.01417
|
|
401 15G+2 0.02301 -0.00688 -0.03113 -0.00899 0.00474
|
|
402 15G-2 -0.01032 -0.00285 0.00206 0.03433 -0.03390
|
|
403 15G+3 -0.00923 0.00361 -0.02359 0.02066 -0.00417
|
|
404 15G-3 -0.00587 0.01420 -0.01577 0.01468 -0.02190
|
|
405 15G+4 -0.03133 -0.00961 -0.00219 0.01656 -0.01356
|
|
406 15G-4 -0.01234 -0.01147 0.02831 -0.04158 -0.01543
|
|
266 267 268 269 270
|
|
V V V V V
|
|
Eigenvalues -- 9.52730 9.54559 9.59982 9.60834 9.69355
|
|
1 1 C 1S 0.00000 0.00000 -0.00023 0.00000 0.02072
|
|
2 2S 0.00000 0.00000 0.18856 0.00000 -1.25416
|
|
3 3S 0.00000 0.00000 1.04936 0.00000 -6.28022
|
|
4 4S 0.00000 0.00000 -2.43384 0.00000 9.10874
|
|
5 5S 0.00000 0.00000 -2.57146 0.00000 29.22268
|
|
6 6S 0.00000 0.00000 0.05979 0.00000 4.53827
|
|
7 7PX 0.00000 0.00000 -0.61248 0.00000 -0.18406
|
|
8 7PY 0.00000 0.00000 -0.00213 0.00000 -0.02681
|
|
9 7PZ -0.02706 -0.54377 0.00000 -0.36547 0.00000
|
|
10 8PX 0.00000 0.00000 0.65989 0.00000 0.70604
|
|
11 8PY 0.00000 0.00000 0.23067 0.00000 -0.63514
|
|
12 8PZ 0.04190 0.31805 0.00000 0.45101 0.00000
|
|
13 9PX 0.00000 0.00000 2.11104 0.00000 -5.33520
|
|
14 9PY 0.00000 0.00000 -2.03926 0.00000 8.01942
|
|
15 9PZ -0.13409 4.89316 0.00000 0.40524 0.00000
|
|
16 10PX 0.00000 0.00000 2.59788 0.00000 -2.04278
|
|
17 10PY 0.00000 0.00000 -1.88849 0.00000 7.81072
|
|
18 10PZ -0.01943 3.84206 0.00000 1.12877 0.00000
|
|
19 11PX 0.00000 0.00000 -0.24029 0.00000 -0.09280
|
|
20 11PY 0.00000 0.00000 -0.14980 0.00000 0.31310
|
|
21 11PZ -0.03097 -0.11794 0.00000 -0.21165 0.00000
|
|
22 12D 0 0.00000 0.00000 0.10013 0.00000 0.08865
|
|
23 12D+1 0.00243 0.09366 0.00000 0.07763 0.00000
|
|
24 12D-1 0.01086 0.13403 0.00000 0.06717 0.00000
|
|
25 12D+2 0.00000 0.00000 -0.09631 0.00000 -0.00019
|
|
26 12D-2 0.00000 0.00000 0.11865 0.00000 0.02816
|
|
27 13D 0 0.00000 0.00000 -0.01507 0.00000 -0.16044
|
|
28 13D+1 0.00162 0.10947 0.00000 -0.04059 0.00000
|
|
29 13D-1 0.00276 0.20428 0.00000 -0.05054 0.00000
|
|
30 13D+2 0.00000 0.00000 -0.07303 0.00000 0.14428
|
|
31 13D-2 0.00000 0.00000 0.03289 0.00000 -0.20620
|
|
32 14D 0 0.00000 0.00000 1.57245 0.00000 3.16868
|
|
33 14D+1 -0.09938 2.55500 0.00000 1.36049 0.00000
|
|
34 14D-1 -0.00920 0.78720 0.00000 0.83128 0.00000
|
|
35 14D+2 0.00000 0.00000 -1.82243 0.00000 5.75707
|
|
36 14D-2 0.00000 0.00000 0.68833 0.00000 0.46494
|
|
37 15D 0 0.00000 0.00000 0.71094 0.00000 0.90051
|
|
38 15D+1 0.04712 0.99599 0.00000 0.69397 0.00000
|
|
39 15D-1 -0.07783 -0.59058 0.00000 0.10352 0.00000
|
|
40 15D+2 0.00000 0.00000 -0.97698 0.00000 2.48134
|
|
41 15D-2 0.00000 0.00000 -0.65099 0.00000 0.21154
|
|
42 16F 0 0.15497 -0.04479 0.00000 -0.04024 0.00000
|
|
43 16F+1 0.00000 0.00000 0.04460 0.00000 -0.06606
|
|
44 16F-1 0.00000 0.00000 -0.14411 0.00000 -0.21590
|
|
45 16F+2 -0.14969 -0.01775 0.00000 0.01750 0.00000
|
|
46 16F-2 -0.02858 -0.25413 0.00000 -0.13332 0.00000
|
|
47 16F+3 0.00000 0.00000 -0.12234 0.00000 0.07176
|
|
48 16F-3 0.00000 0.00000 0.18516 0.00000 -0.32182
|
|
49 17F 0 0.09954 0.37611 0.00000 0.05591 0.00000
|
|
50 17F+1 0.00000 0.00000 -0.23289 0.00000 2.08438
|
|
51 17F-1 0.00000 0.00000 0.37235 0.00000 1.22518
|
|
52 17F+2 -0.06771 0.37665 0.00000 0.00495 0.00000
|
|
53 17F-2 -0.00241 0.53192 0.00000 0.43156 0.00000
|
|
54 17F+3 0.00000 0.00000 0.51125 0.00000 -1.02267
|
|
55 17F-3 0.00000 0.00000 -0.41449 0.00000 0.87462
|
|
56 18F 0 -0.17065 -0.01905 0.00000 -0.05170 0.00000
|
|
57 18F+1 0.00000 0.00000 -0.22878 0.00000 1.61128
|
|
58 18F-1 0.00000 0.00000 0.34514 0.00000 0.36972
|
|
59 18F+2 0.00802 -0.00929 0.00000 -0.16531 0.00000
|
|
60 18F-2 0.02627 0.15984 0.00000 0.39285 0.00000
|
|
61 18F+3 0.00000 0.00000 -0.03561 0.00000 -0.72179
|
|
62 18F-3 0.00000 0.00000 -0.07496 0.00000 0.24485
|
|
63 19G 0 0.00000 0.00000 0.08026 0.00000 0.00071
|
|
64 19G+1 -0.00684 -0.21674 0.00000 -0.10005 0.00000
|
|
65 19G-1 0.08207 -0.08293 0.00000 -0.10051 0.00000
|
|
66 19G+2 0.00000 0.00000 -0.23801 0.00000 -0.01941
|
|
67 19G-2 0.00000 0.00000 -0.05736 0.00000 -0.14373
|
|
68 19G+3 0.01406 -0.05905 0.00000 0.08380 0.00000
|
|
69 19G-3 -0.10611 -0.07931 0.00000 -0.04464 0.00000
|
|
70 19G+4 0.00000 0.00000 0.00216 0.00000 0.01004
|
|
71 19G-4 0.00000 0.00000 -0.10462 0.00000 -0.07753
|
|
72 20G 0 0.00000 0.00000 -0.47376 0.00000 0.38110
|
|
73 20G+1 -0.01316 1.30301 0.00000 0.52019 0.00000
|
|
74 20G-1 0.76962 0.57144 0.00000 0.24216 0.00000
|
|
75 20G+2 0.00000 0.00000 0.92030 0.00000 -0.32146
|
|
76 20G-2 0.00000 0.00000 0.20374 0.00000 0.71420
|
|
77 20G+3 0.12045 -0.06904 0.00000 -0.14160 0.00000
|
|
78 20G-3 -0.78756 0.40559 0.00000 0.26341 0.00000
|
|
79 20G+4 0.00000 0.00000 -0.22747 0.00000 0.20009
|
|
80 20G-4 0.00000 0.00000 0.57862 0.00000 -0.20170
|
|
81 21H 0 -0.64493 -0.20843 0.00000 -0.25118 0.00000
|
|
82 21H+1 0.00000 0.00000 0.51153 0.00000 0.42991
|
|
83 21H-1 0.00000 0.00000 -0.18748 0.00000 0.51269
|
|
84 21H+2 -0.38787 0.34400 0.00000 0.16357 0.00000
|
|
85 21H-2 -0.02892 0.84951 0.00000 0.55371 0.00000
|
|
86 21H+3 0.00000 0.00000 -0.21074 0.00000 -0.08651
|
|
87 21H-3 0.00000 0.00000 0.75467 0.00000 0.48626
|
|
88 21H+4 0.93757 0.11161 0.00000 -0.18080 0.00000
|
|
89 21H-4 0.23608 -0.23219 0.00000 -0.14238 0.00000
|
|
90 21H+5 0.00000 0.00000 0.07959 0.00000 -0.41960
|
|
91 21H-5 0.00000 0.00000 -0.31404 0.00000 0.08039
|
|
92 2 S 1S 0.00000 0.00000 -0.01622 0.00000 0.01180
|
|
93 2S 0.00000 0.00000 0.00784 0.00000 -0.00344
|
|
94 3S 0.00000 0.00000 -0.29908 0.00000 0.24645
|
|
95 4S 0.00000 0.00000 -1.04889 0.00000 1.12760
|
|
96 5S 0.00000 0.00000 1.97769 0.00000 -3.43209
|
|
97 6S 0.00000 0.00000 -1.19027 0.00000 4.39789
|
|
98 7S 0.00000 0.00000 -0.80585 0.00000 1.43787
|
|
99 8PX 0.00000 0.00000 -0.01043 0.00000 0.01907
|
|
100 8PY 0.00000 0.00000 -0.02341 0.00000 0.03023
|
|
101 8PZ 0.00147 -0.02243 0.00000 0.03292 0.00000
|
|
102 9PX 0.00000 0.00000 -0.00070 0.00000 0.01170
|
|
103 9PY 0.00000 0.00000 0.02992 0.00000 -0.06457
|
|
104 9PZ -0.00299 0.03380 0.00000 -0.04334 0.00000
|
|
105 10PX 0.00000 0.00000 -0.08196 0.00000 0.22981
|
|
106 10PY 0.00000 0.00000 0.36325 0.00000 -0.71160
|
|
107 10PZ -0.03371 0.36513 0.00000 -0.51165 0.00000
|
|
108 11PX 0.00000 0.00000 0.75055 0.00000 -1.42256
|
|
109 11PY 0.00000 0.00000 -0.49218 0.00000 1.17048
|
|
110 11PZ 0.07549 -0.52163 0.00000 0.94327 0.00000
|
|
111 12PX 0.00000 0.00000 -0.27207 0.00000 0.42952
|
|
112 12PY 0.00000 0.00000 -2.39893 0.00000 3.61877
|
|
113 12PZ 0.00600 -1.37811 0.00000 0.88269 0.00000
|
|
114 13PX 0.00000 0.00000 0.08609 0.00000 -0.00340
|
|
115 13PY 0.00000 0.00000 -0.08059 0.00000 0.16034
|
|
116 13PZ 0.00078 0.05679 0.00000 -0.05342 0.00000
|
|
117 14D 0 0.00000 0.00000 0.19127 0.00000 -0.50448
|
|
118 14D+1 0.00734 -0.18952 0.00000 0.30552 0.00000
|
|
119 14D-1 -0.02742 -0.45434 0.00000 -0.10098 0.00000
|
|
120 14D+2 0.00000 0.00000 0.75397 0.00000 -1.13862
|
|
121 14D-2 0.00000 0.00000 -0.53069 0.00000 0.45540
|
|
122 15D 0 0.00000 0.00000 0.42758 0.00000 -0.83242
|
|
123 15D+1 0.26173 -1.42024 0.00000 2.61552 0.00000
|
|
124 15D-1 -0.14122 -0.57725 0.00000 -0.34670 0.00000
|
|
125 15D+2 0.00000 0.00000 0.54784 0.00000 -1.73879
|
|
126 15D-2 0.00000 0.00000 -1.41075 0.00000 0.05499
|
|
127 16D 0 0.00000 0.00000 -0.79601 0.00000 1.00362
|
|
128 16D+1 -0.22170 1.18160 0.00000 -2.07950 0.00000
|
|
129 16D-1 0.14871 0.65938 0.00000 0.19136 0.00000
|
|
130 16D+2 0.00000 0.00000 -0.09352 0.00000 0.32031
|
|
131 16D-2 0.00000 0.00000 0.96951 0.00000 -0.07776
|
|
132 17D 0 0.00000 0.00000 0.59044 0.00000 -0.66272
|
|
133 17D+1 0.15092 -0.79483 0.00000 1.36424 0.00000
|
|
134 17D-1 -0.10676 -0.45671 0.00000 -0.10834 0.00000
|
|
135 17D+2 0.00000 0.00000 0.03676 0.00000 -0.03885
|
|
136 17D-2 0.00000 0.00000 -0.60455 0.00000 0.05653
|
|
137 18F 0 0.00011 0.25220 0.00000 -0.21825 0.00000
|
|
138 18F+1 0.00000 0.00000 0.03896 0.00000 -0.09494
|
|
139 18F-1 0.00000 0.00000 0.16210 0.00000 -0.10983
|
|
140 18F+2 0.02160 0.03800 0.00000 0.25869 0.00000
|
|
141 18F-2 -0.01739 0.05455 0.00000 -0.15922 0.00000
|
|
142 18F+3 0.00000 0.00000 0.02478 0.00000 -0.29249
|
|
143 18F-3 0.00000 0.00000 0.11147 0.00000 -0.24478
|
|
144 19F 0 -0.01952 0.71070 0.00000 -0.87452 0.00000
|
|
145 19F+1 0.00000 0.00000 0.02304 0.00000 -0.01736
|
|
146 19F-1 0.00000 0.00000 0.39147 0.00000 -0.46135
|
|
147 19F+2 0.10746 -0.29599 0.00000 1.14204 0.00000
|
|
148 19F-2 -0.00583 0.12543 0.00000 -0.19308 0.00000
|
|
149 19F+3 0.00000 0.00000 0.06866 0.00000 -0.41795
|
|
150 19F-3 0.00000 0.00000 -0.35942 0.00000 -0.73086
|
|
151 20F 0 -0.01301 -0.13576 0.00000 0.15293 0.00000
|
|
152 20F+1 0.00000 0.00000 -0.07800 0.00000 0.14951
|
|
153 20F-1 0.00000 0.00000 -0.09266 0.00000 0.04076
|
|
154 20F+2 -0.01352 0.02142 0.00000 -0.16913 0.00000
|
|
155 20F-2 -0.00364 -0.01121 0.00000 0.00671 0.00000
|
|
156 20F+3 0.00000 0.00000 0.08074 0.00000 0.01093
|
|
157 20F-3 0.00000 0.00000 -0.01063 0.00000 0.14198
|
|
158 21G 0 0.00000 0.00000 -0.08340 0.00000 0.12280
|
|
159 21G+1 -0.04226 0.27782 0.00000 -0.57594 0.00000
|
|
160 21G-1 0.05913 0.11752 0.00000 0.04979 0.00000
|
|
161 21G+2 0.00000 0.00000 -0.08130 0.00000 0.11635
|
|
162 21G-2 0.00000 0.00000 0.13240 0.00000 -0.08429
|
|
163 21G+3 0.02292 -0.27350 0.00000 0.47868 0.00000
|
|
164 21G-3 -0.04857 0.21047 0.00000 -0.20499 0.00000
|
|
165 21G+4 0.00000 0.00000 -0.29682 0.00000 0.09203
|
|
166 21G-4 0.00000 0.00000 -0.21616 0.00000 -0.40269
|
|
167 22G 0 0.00000 0.00000 0.02867 0.00000 0.02109
|
|
168 22G+1 -0.01930 0.11065 0.00000 -0.18619 0.00000
|
|
169 22G-1 -0.00944 0.04987 0.00000 0.04430 0.00000
|
|
170 22G+2 0.00000 0.00000 -0.00985 0.00000 0.14019
|
|
171 22G-2 0.00000 0.00000 0.07226 0.00000 0.02801
|
|
172 22G+3 0.02149 -0.08063 0.00000 0.14556 0.00000
|
|
173 22G-3 0.00870 0.08920 0.00000 -0.04146 0.00000
|
|
174 22G+4 0.00000 0.00000 0.01951 0.00000 0.00518
|
|
175 22G-4 0.00000 0.00000 -0.03890 0.00000 0.03865
|
|
176 23H 0 0.00529 -0.18737 0.00000 0.23140 0.00000
|
|
177 23H+1 0.00000 0.00000 -0.01990 0.00000 0.03254
|
|
178 23H-1 0.00000 0.00000 -0.04462 0.00000 0.06884
|
|
179 23H+2 -0.03219 0.06465 0.00000 -0.29096 0.00000
|
|
180 23H-2 0.01362 -0.04860 0.00000 0.07021 0.00000
|
|
181 23H+3 0.00000 0.00000 0.00506 0.00000 0.04889
|
|
182 23H-3 0.00000 0.00000 0.04058 0.00000 0.10842
|
|
183 23H+4 0.02193 -0.21003 0.00000 0.23842 0.00000
|
|
184 23H-4 -0.00391 0.05307 0.00000 -0.12458 0.00000
|
|
185 23H+5 0.00000 0.00000 -0.14975 0.00000 0.10418
|
|
186 23H-5 0.00000 0.00000 -0.17017 0.00000 -0.08201
|
|
187 3 H 1S 0.00000 0.00000 0.01442 0.00000 -0.02815
|
|
188 2S 0.00000 0.00000 0.23839 0.00000 -0.40916
|
|
189 3S 0.00000 0.00000 -0.58615 0.00000 1.03091
|
|
190 4S 0.00000 0.00000 -0.96791 0.00000 0.58734
|
|
191 5S 0.00000 0.00000 0.07998 0.00000 -0.07534
|
|
192 6PX 0.00000 0.00000 0.02399 0.00000 -0.04232
|
|
193 6PY 0.00000 0.00000 0.00871 0.00000 0.01050
|
|
194 6PZ -0.00092 0.01457 0.00000 -0.02715 0.00000
|
|
195 7PX 0.00000 0.00000 -0.21388 0.00000 0.32401
|
|
196 7PY 0.00000 0.00000 -0.19882 0.00000 -0.07737
|
|
197 7PZ 0.04926 -0.28195 0.00000 0.51950 0.00000
|
|
198 8PX 0.00000 0.00000 0.73317 0.00000 -0.95496
|
|
199 8PY 0.00000 0.00000 0.79444 0.00000 0.45611
|
|
200 8PZ -0.16834 1.08782 0.00000 -2.03665 0.00000
|
|
201 9PX 0.00000 0.00000 0.60617 0.00000 -0.47012
|
|
202 9PY 0.00000 0.00000 0.23842 0.00000 0.05487
|
|
203 9PZ -0.06982 0.44958 0.00000 -0.86867 0.00000
|
|
204 10D 0 0.00000 0.00000 -0.00551 0.00000 0.00404
|
|
205 10D+1 -0.00403 0.02255 0.00000 -0.03613 0.00000
|
|
206 10D-1 0.00092 -0.00198 0.00000 0.00392 0.00000
|
|
207 10D+2 0.00000 0.00000 0.00756 0.00000 0.00542
|
|
208 10D-2 0.00000 0.00000 0.01014 0.00000 0.00822
|
|
209 11D 0 0.00000 0.00000 0.05191 0.00000 -0.11889
|
|
210 11D+1 0.02766 -0.23304 0.00000 0.44398 0.00000
|
|
211 11D-1 0.00794 0.03650 0.00000 -0.06623 0.00000
|
|
212 11D+2 0.00000 0.00000 -0.16404 0.00000 0.13059
|
|
213 11D-2 0.00000 0.00000 -0.16448 0.00000 -0.16045
|
|
214 12D 0 0.00000 0.00000 0.20167 0.00000 -0.20607
|
|
215 12D+1 0.13975 -0.78845 0.00000 1.47776 0.00000
|
|
216 12D-1 -0.01508 0.10114 0.00000 -0.16518 0.00000
|
|
217 12D+2 0.00000 0.00000 -0.42524 0.00000 0.40080
|
|
218 12D-2 0.00000 0.00000 -0.50615 0.00000 -0.24401
|
|
219 13F 0 0.00902 0.00538 0.00000 -0.00607 0.00000
|
|
220 13F+1 0.00000 0.00000 0.01922 0.00000 -0.03732
|
|
221 13F-1 0.00000 0.00000 -0.00554 0.00000 0.01005
|
|
222 13F+2 0.00582 -0.00636 0.00000 0.00664 0.00000
|
|
223 13F-2 0.00259 -0.00293 0.00000 -0.00689 0.00000
|
|
224 13F+3 0.00000 0.00000 -0.01973 0.00000 0.01240
|
|
225 13F-3 0.00000 0.00000 0.00579 0.00000 -0.02135
|
|
226 14F 0 0.04328 -0.20438 0.00000 0.39379 0.00000
|
|
227 14F+1 0.00000 0.00000 -0.09645 0.00000 0.14126
|
|
228 14F-1 0.00000 0.00000 -0.05588 0.00000 -0.01148
|
|
229 14F+2 -0.03905 0.26445 0.00000 -0.49297 0.00000
|
|
230 14F-2 0.00639 -0.08993 0.00000 0.12478 0.00000
|
|
231 14F+3 0.00000 0.00000 0.21925 0.00000 -0.17148
|
|
232 14F-3 0.00000 0.00000 0.19563 0.00000 0.14713
|
|
233 15G 0 0.00000 0.00000 0.00298 0.00000 -0.01250
|
|
234 15G+1 -0.00344 0.02407 0.00000 -0.04426 0.00000
|
|
235 15G-1 -0.00323 -0.00257 0.00000 0.00545 0.00000
|
|
236 15G+2 0.00000 0.00000 -0.00960 0.00000 0.02027
|
|
237 15G-2 0.00000 0.00000 0.01079 0.00000 0.00598
|
|
238 15G+3 0.00727 -0.01454 0.00000 0.03437 0.00000
|
|
239 15G-3 -0.00079 0.00640 0.00000 -0.01196 0.00000
|
|
240 15G+4 0.00000 0.00000 -0.00106 0.00000 -0.00750
|
|
241 15G-4 0.00000 0.00000 -0.02821 0.00000 0.01355
|
|
242 4 H 1S 0.00000 0.00000 -0.02937 0.00000 -0.08843
|
|
243 2S 0.00000 0.00000 1.07357 0.00000 1.41516
|
|
244 3S 0.00000 0.00000 3.78449 0.00000 -14.59734
|
|
245 4S 0.00000 0.00000 3.13189 0.00000 -8.33271
|
|
246 5S 0.00000 0.00000 -0.32919 0.00000 -0.17614
|
|
247 6PX 0.00000 0.00000 -0.07001 0.00000 -0.02912
|
|
248 6PY 0.00000 0.00000 0.00998 0.00000 -0.00749
|
|
249 6PZ -0.00261 0.01998 0.00000 0.01030 0.00000
|
|
250 7PX 0.00000 0.00000 0.60586 0.00000 0.50776
|
|
251 7PY 0.00000 0.00000 -0.13685 0.00000 -0.06371
|
|
252 7PZ 0.14505 -0.29620 0.00000 -0.21446 0.00000
|
|
253 8PX 0.00000 0.00000 1.71551 0.00000 -7.03811
|
|
254 8PY 0.00000 0.00000 -0.57926 0.00000 2.95137
|
|
255 8PZ 0.26831 -0.20717 0.00000 0.31297 0.00000
|
|
256 9PX 0.00000 0.00000 1.24981 0.00000 -4.19140
|
|
257 9PY 0.00000 0.00000 -0.70323 0.00000 1.29856
|
|
258 9PZ 0.02804 0.26260 0.00000 0.45297 0.00000
|
|
259 10D 0 0.00000 0.00000 -0.01008 0.00000 -0.02259
|
|
260 10D+1 -0.06733 0.03471 0.00000 0.01207 0.00000
|
|
261 10D-1 -0.05650 0.02183 0.00000 0.03792 0.00000
|
|
262 10D+2 0.00000 0.00000 0.05220 0.00000 0.03494
|
|
263 10D-2 0.00000 0.00000 -0.03975 0.00000 -0.10712
|
|
264 11D 0 0.00000 0.00000 -0.37863 0.00000 0.55707
|
|
265 11D+1 0.40759 -0.32209 0.00000 -0.09319 0.00000
|
|
266 11D-1 0.40899 -0.02495 0.00000 -0.13191 0.00000
|
|
267 11D+2 0.00000 0.00000 0.32238 0.00000 -0.67873
|
|
268 11D-2 0.00000 0.00000 -0.21510 0.00000 1.00828
|
|
269 12D 0 0.00000 0.00000 -0.51821 0.00000 0.84435
|
|
270 12D+1 0.14620 0.16298 0.00000 0.33270 0.00000
|
|
271 12D-1 0.26326 0.01417 0.00000 -0.09929 0.00000
|
|
272 12D+2 0.00000 0.00000 0.30570 0.00000 -1.43741
|
|
273 12D-2 0.00000 0.00000 -0.28678 0.00000 1.19153
|
|
274 13F 0 0.05833 0.02037 0.00000 0.01322 0.00000
|
|
275 13F+1 0.00000 0.00000 0.04096 0.00000 0.04086
|
|
276 13F-1 0.00000 0.00000 0.00335 0.00000 -0.01250
|
|
277 13F+2 -0.07954 0.03046 0.00000 0.04474 0.00000
|
|
278 13F-2 -0.09005 0.01210 0.00000 0.03977 0.00000
|
|
279 13F+3 0.00000 0.00000 0.02131 0.00000 -0.02055
|
|
280 13F-3 0.00000 0.00000 0.02928 0.00000 0.00624
|
|
281 14F 0 -0.08437 0.02586 0.00000 -0.02738 0.00000
|
|
282 14F+1 0.00000 0.00000 -0.45426 0.00000 0.12989
|
|
283 14F-1 0.00000 0.00000 0.17192 0.00000 -0.02922
|
|
284 14F+2 0.41108 -0.03123 0.00000 -0.01396 0.00000
|
|
285 14F-2 0.45413 -0.06345 0.00000 -0.16237 0.00000
|
|
286 14F+3 0.00000 0.00000 0.14779 0.00000 -0.20983
|
|
287 14F-3 0.00000 0.00000 -0.22530 0.00000 0.51869
|
|
288 15G 0 0.00000 0.00000 0.00609 0.00000 -0.01415
|
|
289 15G+1 0.03352 -0.00594 0.00000 -0.01935 0.00000
|
|
290 15G-1 -0.01242 -0.01708 0.00000 -0.00292 0.00000
|
|
291 15G+2 0.00000 0.00000 0.02335 0.00000 0.03138
|
|
292 15G-2 0.00000 0.00000 -0.00654 0.00000 -0.05277
|
|
293 15G+3 -0.00420 -0.00135 0.00000 0.00986 0.00000
|
|
294 15G-3 -0.00790 -0.03810 0.00000 -0.01429 0.00000
|
|
295 15G+4 0.00000 0.00000 0.02058 0.00000 -0.00115
|
|
296 15G-4 0.00000 0.00000 0.03641 0.00000 0.06075
|
|
297 5 H 1S -0.00085 0.02999 0.01721 0.00973 -0.04729
|
|
298 2S -0.06559 -0.90068 -0.81745 -0.78921 0.22507
|
|
299 3S 0.13244 -3.30285 0.42838 -0.83634 -9.35017
|
|
300 4S 0.04842 -2.92534 -0.03534 -0.93809 -6.05321
|
|
301 5S 0.02483 0.24204 0.16510 0.24609 -0.16585
|
|
302 6PX -0.00551 -0.02924 -0.00338 -0.02472 -0.02874
|
|
303 6PY 0.00097 -0.02276 -0.02481 -0.01621 -0.03409
|
|
304 6PZ -0.00153 -0.03995 -0.04481 -0.03971 -0.02938
|
|
305 7PX 0.16214 0.30757 -0.06975 0.25737 0.14416
|
|
306 7PY 0.01063 0.19958 0.22727 0.21761 0.17046
|
|
307 7PZ -0.04725 0.30338 0.47912 0.32446 0.15132
|
|
308 8PX 0.25284 0.66185 -0.13437 -0.06791 2.51604
|
|
309 8PY -0.05982 1.18852 0.02944 -0.06739 1.87488
|
|
310 8PZ -0.20245 1.14398 -0.53734 0.26633 3.34743
|
|
311 9PX -0.06126 0.34253 0.32869 -0.04310 1.41671
|
|
312 9PY -0.01306 1.03920 0.24479 0.03558 1.07699
|
|
313 9PZ -0.00380 1.02826 -0.47659 0.35740 2.55506
|
|
314 10D 0 -0.05322 -0.04139 -0.00484 -0.01950 -0.02489
|
|
315 10D+1 0.03900 -0.01387 -0.02907 -0.02015 0.01821
|
|
316 10D-1 0.02342 -0.01594 -0.03357 -0.01935 0.03347
|
|
317 10D+2 0.03968 -0.01484 -0.02072 -0.01752 0.00463
|
|
318 10D-2 -0.04435 -0.02447 0.01186 -0.02585 0.04985
|
|
319 11D 0 0.33537 0.01671 -0.09914 -0.06972 -0.23490
|
|
320 11D+1 -0.24445 -0.33635 0.10974 -0.10940 -0.63920
|
|
321 11D-1 -0.18024 -0.34560 -0.04385 -0.07367 -0.54790
|
|
322 11D+2 -0.25512 0.12699 0.15816 0.06899 -0.19586
|
|
323 11D-2 0.29854 -0.14583 -0.08011 -0.00330 -0.55640
|
|
324 12D 0 0.11519 -0.15602 0.40171 -0.19990 -0.48005
|
|
325 12D+1 -0.06500 -0.27634 -0.05036 -0.04791 -0.76953
|
|
326 12D-1 -0.10588 -0.49074 0.03571 0.04744 -0.60457
|
|
327 12D+2 -0.08092 0.31827 -0.04640 0.08399 -0.25713
|
|
328 12D-2 0.21737 -0.21690 -0.06946 0.07269 -0.55661
|
|
329 13F 0 0.09172 0.01540 -0.02730 0.01269 -0.01759
|
|
330 13F+1 -0.01175 -0.05097 -0.02077 -0.01843 0.03106
|
|
331 13F-1 -0.05471 -0.01450 0.01386 -0.00737 0.01978
|
|
332 13F+2 -0.05097 0.01164 -0.02321 0.02611 0.00440
|
|
333 13F-2 0.03398 0.00693 -0.01559 0.00056 -0.00415
|
|
334 13F+3 -0.03704 0.00237 0.03617 -0.00094 -0.00912
|
|
335 13F-3 0.03367 -0.01228 -0.00754 0.00647 0.01568
|
|
336 14F 0 -0.37038 -0.08342 -0.01567 0.05087 0.09063
|
|
337 14F+1 0.07012 0.31777 0.06989 0.18857 0.13342
|
|
338 14F-1 0.27182 0.19737 -0.02941 0.08121 0.21375
|
|
339 14F+2 0.12674 -0.09882 -0.01293 -0.02789 0.16125
|
|
340 14F-2 -0.18360 0.20946 0.12546 0.07842 0.38495
|
|
341 14F+3 0.28398 -0.11556 -0.04818 -0.04326 -0.02524
|
|
342 14F-3 -0.15255 -0.08123 0.04234 -0.05642 0.23717
|
|
343 15G 0 -0.01925 -0.01311 0.00414 -0.01215 0.03427
|
|
344 15G+1 -0.01420 0.01460 0.01851 0.00148 -0.00806
|
|
345 15G-1 0.00216 0.00112 0.02865 0.00022 -0.01695
|
|
346 15G+2 0.02104 -0.00125 -0.00403 -0.00662 -0.00601
|
|
347 15G-2 -0.00178 0.01254 0.00830 0.02247 -0.03037
|
|
348 15G+3 -0.00379 -0.00453 0.00073 -0.00374 0.00899
|
|
349 15G-3 0.00975 0.01328 0.00785 0.00659 -0.04079
|
|
350 15G+4 -0.00503 -0.02644 0.00843 -0.01131 0.04343
|
|
351 15G-4 -0.01718 0.01787 -0.01797 0.00463 -0.01443
|
|
352 6 H 1S 0.00085 -0.02999 0.01721 -0.00973 -0.04729
|
|
353 2S 0.06559 0.90068 -0.81745 0.78921 0.22507
|
|
354 3S -0.13244 3.30285 0.42838 0.83634 -9.35017
|
|
355 4S -0.04842 2.92534 -0.03534 0.93809 -6.05321
|
|
356 5S -0.02483 -0.24204 0.16510 -0.24609 -0.16585
|
|
357 6PX 0.00551 0.02924 -0.00338 0.02472 -0.02874
|
|
358 6PY -0.00097 0.02276 -0.02481 0.01621 -0.03409
|
|
359 6PZ -0.00153 -0.03995 0.04481 -0.03971 0.02938
|
|
360 7PX -0.16214 -0.30757 -0.06975 -0.25737 0.14416
|
|
361 7PY -0.01063 -0.19958 0.22727 -0.21761 0.17046
|
|
362 7PZ -0.04725 0.30338 -0.47912 0.32446 -0.15132
|
|
363 8PX -0.25284 -0.66185 -0.13437 0.06791 2.51604
|
|
364 8PY 0.05982 -1.18852 0.02944 0.06739 1.87488
|
|
365 8PZ -0.20245 1.14398 0.53734 0.26633 -3.34743
|
|
366 9PX 0.06126 -0.34253 0.32869 0.04310 1.41671
|
|
367 9PY 0.01306 -1.03920 0.24479 -0.03558 1.07699
|
|
368 9PZ -0.00380 1.02826 0.47659 0.35740 -2.55506
|
|
369 10D 0 0.05322 0.04139 -0.00484 0.01950 -0.02489
|
|
370 10D+1 0.03900 -0.01387 0.02907 -0.02015 -0.01821
|
|
371 10D-1 0.02342 -0.01594 0.03357 -0.01935 -0.03347
|
|
372 10D+2 -0.03968 0.01484 -0.02072 0.01752 0.00463
|
|
373 10D-2 0.04435 0.02447 0.01186 0.02585 0.04985
|
|
374 11D 0 -0.33537 -0.01671 -0.09914 0.06972 -0.23490
|
|
375 11D+1 -0.24445 -0.33635 -0.10974 -0.10940 0.63920
|
|
376 11D-1 -0.18024 -0.34560 0.04385 -0.07367 0.54790
|
|
377 11D+2 0.25512 -0.12699 0.15816 -0.06899 -0.19586
|
|
378 11D-2 -0.29854 0.14583 -0.08011 0.00330 -0.55640
|
|
379 12D 0 -0.11519 0.15602 0.40171 0.19990 -0.48005
|
|
380 12D+1 -0.06500 -0.27634 0.05036 -0.04791 0.76953
|
|
381 12D-1 -0.10588 -0.49074 -0.03571 0.04744 0.60457
|
|
382 12D+2 0.08092 -0.31827 -0.04640 -0.08399 -0.25713
|
|
383 12D-2 -0.21737 0.21690 -0.06946 -0.07269 -0.55661
|
|
384 13F 0 0.09172 0.01540 0.02730 0.01269 0.01759
|
|
385 13F+1 0.01175 0.05097 -0.02077 0.01843 0.03106
|
|
386 13F-1 0.05471 0.01450 0.01386 0.00737 0.01978
|
|
387 13F+2 -0.05097 0.01164 0.02321 0.02611 -0.00440
|
|
388 13F-2 0.03398 0.00693 0.01559 0.00056 0.00415
|
|
389 13F+3 0.03704 -0.00237 0.03617 0.00094 -0.00912
|
|
390 13F-3 -0.03367 0.01228 -0.00754 -0.00647 0.01568
|
|
391 14F 0 -0.37038 -0.08342 0.01567 0.05087 -0.09063
|
|
392 14F+1 -0.07012 -0.31777 0.06989 -0.18857 0.13342
|
|
393 14F-1 -0.27182 -0.19737 -0.02941 -0.08121 0.21375
|
|
394 14F+2 0.12674 -0.09882 0.01293 -0.02789 -0.16125
|
|
395 14F-2 -0.18360 0.20946 -0.12546 0.07842 -0.38495
|
|
396 14F+3 -0.28398 0.11556 -0.04818 0.04326 -0.02524
|
|
397 14F-3 0.15255 0.08123 0.04234 0.05642 0.23717
|
|
398 15G 0 0.01925 0.01311 0.00414 0.01215 0.03427
|
|
399 15G+1 -0.01420 0.01460 -0.01851 0.00148 0.00806
|
|
400 15G-1 0.00216 0.00112 -0.02865 0.00022 0.01695
|
|
401 15G+2 -0.02104 0.00125 -0.00403 0.00662 -0.00601
|
|
402 15G-2 0.00178 -0.01254 0.00830 -0.02247 -0.03037
|
|
403 15G+3 -0.00379 -0.00453 -0.00073 -0.00374 -0.00899
|
|
404 15G-3 0.00975 0.01328 -0.00785 0.00659 0.04079
|
|
405 15G+4 0.00503 0.02644 0.00843 0.01131 0.04343
|
|
406 15G-4 0.01718 -0.01787 -0.01797 -0.00463 -0.01443
|
|
271 272 273 274 275
|
|
V V V V V
|
|
Eigenvalues -- 9.75157 9.86139 9.88702 9.99034 10.03342
|
|
1 1 C 1S 0.00832 0.00000 0.01525 0.00997 0.00000
|
|
2 2S -0.24950 0.00000 -1.00867 -0.51162 0.00000
|
|
3 3S -1.02324 0.00000 -5.28847 -2.60176 0.00000
|
|
4 4S -1.00821 0.00000 8.61877 2.77535 0.00000
|
|
5 5S 11.17422 0.00000 26.62908 17.40059 0.00000
|
|
6 6S 0.75616 0.00000 6.17767 3.40130 0.00000
|
|
7 7PX 0.22062 0.00000 0.07128 -0.09313 0.00000
|
|
8 7PY 0.06801 0.00000 -0.12239 -0.09632 0.00000
|
|
9 7PZ 0.00000 0.16943 0.00000 0.00000 -0.12725
|
|
10 8PX -0.89218 0.00000 -0.70690 0.95696 0.00000
|
|
11 8PY 0.08400 0.00000 -0.86028 -0.24986 0.00000
|
|
12 8PZ 0.00000 -1.50439 0.00000 0.00000 0.47596
|
|
13 9PX 7.19332 0.00000 7.27246 -7.02475 0.00000
|
|
14 9PY -0.13441 0.00000 10.73491 4.66833 0.00000
|
|
15 9PZ 0.00000 14.22232 0.00000 0.00000 1.24222
|
|
16 10PX 2.26188 0.00000 2.18068 -1.84497 0.00000
|
|
17 10PY 1.70033 0.00000 6.14966 1.89781 0.00000
|
|
18 10PZ 0.00000 5.33501 0.00000 0.00000 0.91606
|
|
19 11PX 0.22336 0.00000 0.20723 -0.42096 0.00000
|
|
20 11PY 0.07259 0.00000 0.16580 -0.04117 0.00000
|
|
21 11PZ 0.00000 0.43528 0.00000 0.00000 -0.20097
|
|
22 12D 0 -0.07853 0.00000 -0.10092 0.10628 0.00000
|
|
23 12D+1 0.00000 -0.18650 0.00000 0.00000 0.11798
|
|
24 12D-1 0.00000 0.03926 0.00000 0.00000 -0.02712
|
|
25 12D+2 0.05694 0.00000 0.01102 -0.11002 0.00000
|
|
26 12D-2 -0.01550 0.00000 0.03223 -0.08426 0.00000
|
|
27 13D 0 0.15657 0.00000 0.58111 -0.18135 0.00000
|
|
28 13D+1 0.00000 0.62483 0.00000 0.00000 -0.03051
|
|
29 13D-1 0.00000 0.40317 0.00000 0.00000 0.53707
|
|
30 13D+2 -0.42633 0.00000 0.14986 0.36565 0.00000
|
|
31 13D-2 0.26994 0.00000 0.22165 0.23696 0.00000
|
|
32 14D 0 2.03478 0.00000 0.44639 3.74535 0.00000
|
|
33 14D+1 0.00000 -1.37440 0.00000 0.00000 5.13849
|
|
34 14D-1 0.00000 3.18996 0.00000 0.00000 -3.40090
|
|
35 14D+2 2.76976 0.00000 1.53745 -0.77301 0.00000
|
|
36 14D-2 0.72207 0.00000 2.09943 -4.44429 0.00000
|
|
37 15D 0 0.87995 0.00000 1.10811 0.75124 0.00000
|
|
38 15D+1 0.00000 0.75698 0.00000 0.00000 0.86229
|
|
39 15D-1 0.00000 0.49569 0.00000 0.00000 -0.36277
|
|
40 15D+2 0.38274 0.00000 0.93560 0.08032 0.00000
|
|
41 15D-2 0.36626 0.00000 0.39697 -0.78005 0.00000
|
|
42 16F 0 0.00000 -0.07320 0.00000 0.00000 -0.10312
|
|
43 16F+1 0.11287 0.00000 -0.31562 -0.16593 0.00000
|
|
44 16F-1 -0.12399 0.00000 -0.23631 -0.08926 0.00000
|
|
45 16F+2 0.00000 -0.06590 0.00000 0.00000 -0.10386
|
|
46 16F-2 0.00000 -0.15323 0.00000 0.00000 -0.25730
|
|
47 16F+3 -0.01717 0.00000 -0.00627 0.07157 0.00000
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306 7PY 0.12796 -0.38615 -0.41528 0.02545 -0.02450
|
|
307 7PZ -0.15901 -0.68833 -0.27963 -0.09094 -0.26637
|
|
308 8PX -0.02679 3.48643 1.65836 3.39082 -0.76006
|
|
309 8PY 2.29376 1.81845 1.01893 0.99073 2.43968
|
|
310 8PZ 2.33453 2.99406 6.52481 0.17592 1.34753
|
|
311 9PX 0.30513 1.52213 1.68693 1.50265 -0.25108
|
|
312 9PY 0.65700 1.21404 1.27351 0.32293 0.69754
|
|
313 9PZ 1.14423 1.95124 3.93672 0.26570 0.53509
|
|
314 10D 0 0.03015 -0.02578 0.09772 -0.08265 0.03134
|
|
315 10D+1 -0.03535 0.05933 -0.00472 0.07805 -0.01154
|
|
316 10D-1 0.08796 -0.02848 -0.01395 0.01060 0.08609
|
|
317 10D+2 -0.01748 0.06246 0.00747 0.03612 -0.05824
|
|
318 10D-2 0.00505 0.04321 -0.04500 0.04779 0.03930
|
|
319 11D 0 -0.21512 0.24686 -1.29906 0.63951 -0.10224
|
|
320 11D+1 0.27772 -0.73691 -0.49708 -0.82413 0.35677
|
|
321 11D-1 -0.85736 0.00983 -0.22049 -0.06914 -0.82723
|
|
322 11D+2 0.32398 -0.25802 -0.03006 -0.38007 0.54115
|
|
323 11D-2 -0.10508 -0.48809 0.34189 -0.64854 -0.22710
|
|
324 12D 0 -0.39598 -0.17891 -1.74793 0.74120 -0.19357
|
|
325 12D+1 0.17034 -1.25426 -1.15872 -0.98444 0.28354
|
|
326 12D-1 -0.71408 -0.63395 -0.87501 0.07552 -0.81004
|
|
327 12D+2 0.15303 -0.18194 -0.02401 -0.52425 0.61086
|
|
328 12D-2 -0.08877 -0.74293 -0.08618 -0.62755 -0.16571
|
|
329 13F 0 -0.00791 -0.03528 0.07161 -0.07750 0.00014
|
|
330 13F+1 0.00081 0.00698 0.03417 0.01801 -0.02399
|
|
331 13F-1 0.00270 -0.02173 -0.00649 -0.03628 0.04915
|
|
332 13F+2 -0.04714 0.03601 0.01350 0.04186 -0.06271
|
|
333 13F-2 0.02425 0.03559 0.00533 0.03309 -0.04952
|
|
334 13F+3 -0.04183 0.03226 0.02056 -0.01430 -0.03153
|
|
335 13F-3 -0.00198 -0.05411 -0.04073 0.04974 -0.02655
|
|
336 14F 0 0.06312 -0.15170 0.28667 -0.27855 -0.04088
|
|
337 14F+1 -0.20646 0.18555 0.49419 0.15377 -0.11569
|
|
338 14F-1 0.38077 -0.08703 0.38599 -0.14809 0.19158
|
|
339 14F+2 -0.12283 0.09192 0.00003 0.20483 -0.27766
|
|
340 14F-2 -0.00511 0.28251 0.03729 0.26280 0.08832
|
|
341 14F+3 0.10135 -0.15623 0.04336 -0.04892 -0.17396
|
|
342 14F-3 0.02865 0.16787 -0.08760 0.18383 -0.02229
|
|
343 15G 0 0.00651 0.01509 -0.05885 0.09240 0.00715
|
|
344 15G+1 0.00200 0.02633 -0.07281 0.03140 0.00750
|
|
345 15G-1 -0.03653 0.04710 -0.04803 0.06588 -0.03595
|
|
346 15G+2 0.06859 -0.06999 -0.01696 -0.05341 0.09027
|
|
347 15G-2 -0.02327 -0.06177 -0.02635 -0.03671 -0.00725
|
|
348 15G+3 0.01872 -0.01784 -0.01738 0.01263 0.04836
|
|
349 15G-3 0.00543 -0.01659 0.01629 -0.04155 0.04266
|
|
350 15G+4 0.02177 -0.02324 -0.04860 0.04217 0.00870
|
|
351 15G-4 0.02036 -0.00411 0.01976 -0.02629 0.04116
|
|
352 6 H 1S -0.03318 0.01648 -0.04272 -0.03070 0.03583
|
|
353 2S 0.49068 -0.99892 1.01034 0.35708 -0.89067
|
|
354 3S -6.28525 7.81216 -11.38734 -4.49534 2.94369
|
|
355 4S -2.54894 5.09950 -8.46476 -1.95257 0.88952
|
|
356 5S -0.08134 0.02825 -0.18178 0.00742 -0.11937
|
|
357 6PX 0.01952 0.00060 0.03593 -0.05436 -0.04512
|
|
358 6PY -0.02794 -0.04507 0.04826 -0.01420 0.02258
|
|
359 6PZ -0.00523 0.07404 -0.00218 -0.01989 0.01664
|
|
360 7PX -0.14429 0.19072 -0.30818 0.17435 0.25982
|
|
361 7PY 0.12796 0.38615 -0.41528 0.02545 0.02450
|
|
362 7PZ 0.15901 -0.68833 0.27963 0.09094 -0.26637
|
|
363 8PX -0.02679 -3.48643 1.65836 3.39082 0.76006
|
|
364 8PY 2.29376 -1.81845 1.01893 0.99073 -2.43968
|
|
365 8PZ -2.33453 2.99406 -6.52481 -0.17592 1.34753
|
|
366 9PX 0.30513 -1.52213 1.68693 1.50265 0.25108
|
|
367 9PY 0.65700 -1.21404 1.27351 0.32293 -0.69754
|
|
368 9PZ -1.14423 1.95124 -3.93672 -0.26570 0.53509
|
|
369 10D 0 0.03015 0.02578 0.09772 -0.08265 -0.03134
|
|
370 10D+1 0.03535 0.05933 0.00472 -0.07805 -0.01154
|
|
371 10D-1 -0.08796 -0.02848 0.01395 -0.01060 0.08609
|
|
372 10D+2 -0.01748 -0.06246 0.00747 0.03612 0.05824
|
|
373 10D-2 0.00505 -0.04321 -0.04500 0.04779 -0.03930
|
|
374 11D 0 -0.21512 -0.24686 -1.29906 0.63951 0.10224
|
|
375 11D+1 -0.27772 -0.73691 0.49708 0.82413 0.35677
|
|
376 11D-1 0.85736 0.00983 0.22049 0.06914 -0.82723
|
|
377 11D+2 0.32398 0.25802 -0.03006 -0.38007 -0.54115
|
|
378 11D-2 -0.10508 0.48809 0.34189 -0.64854 0.22710
|
|
379 12D 0 -0.39598 0.17891 -1.74793 0.74120 0.19357
|
|
380 12D+1 -0.17034 -1.25426 1.15872 0.98444 0.28354
|
|
381 12D-1 0.71408 -0.63395 0.87501 -0.07552 -0.81004
|
|
382 12D+2 0.15303 0.18194 -0.02401 -0.52425 -0.61086
|
|
383 12D-2 -0.08877 0.74293 -0.08618 -0.62755 0.16571
|
|
384 13F 0 0.00791 -0.03528 -0.07161 0.07750 0.00014
|
|
385 13F+1 0.00081 -0.00698 0.03417 0.01801 0.02399
|
|
386 13F-1 0.00270 0.02173 -0.00649 -0.03628 -0.04915
|
|
387 13F+2 0.04714 0.03601 -0.01350 -0.04186 -0.06271
|
|
388 13F-2 -0.02425 0.03559 -0.00533 -0.03309 -0.04952
|
|
389 13F+3 -0.04183 -0.03226 0.02056 -0.01430 0.03153
|
|
390 13F-3 -0.00198 0.05411 -0.04073 0.04974 0.02655
|
|
391 14F 0 -0.06312 -0.15170 -0.28667 0.27855 -0.04088
|
|
392 14F+1 -0.20646 -0.18555 0.49419 0.15377 0.11569
|
|
393 14F-1 0.38077 0.08703 0.38599 -0.14809 -0.19158
|
|
394 14F+2 0.12283 0.09192 -0.00003 -0.20483 -0.27766
|
|
395 14F-2 0.00511 0.28251 -0.03729 -0.26280 0.08832
|
|
396 14F+3 0.10135 0.15623 0.04336 -0.04892 0.17396
|
|
397 14F-3 0.02865 -0.16787 -0.08760 0.18383 0.02229
|
|
398 15G 0 0.00651 -0.01509 -0.05885 0.09240 -0.00715
|
|
399 15G+1 -0.00200 0.02633 0.07281 -0.03140 0.00750
|
|
400 15G-1 0.03653 0.04710 0.04803 -0.06588 -0.03595
|
|
401 15G+2 0.06859 0.06999 -0.01696 -0.05341 -0.09027
|
|
402 15G-2 -0.02327 0.06177 -0.02635 -0.03671 0.00725
|
|
403 15G+3 -0.01872 -0.01784 0.01738 -0.01263 0.04836
|
|
404 15G-3 -0.00543 -0.01659 -0.01629 0.04155 0.04266
|
|
405 15G+4 0.02177 0.02324 -0.04860 0.04217 -0.00870
|
|
406 15G-4 0.02036 0.00411 0.01976 -0.02629 -0.04116
|
|
276 277 278 279 280
|
|
V V V V V
|
|
Eigenvalues -- 10.06072 10.18494 10.35247 10.38417 10.41506
|
|
1 1 C 1S -0.00354 0.00795 0.00000 -0.00576 0.01204
|
|
2 2S 0.16839 -0.35744 0.00000 0.12541 -0.37673
|
|
3 3S 0.84503 -1.81736 0.00000 0.66358 -2.04867
|
|
4 4S -0.60399 1.18712 0.00000 -1.27646 3.08435
|
|
5 5S -6.35268 15.50382 0.00000 -1.87016 11.02181
|
|
6 6S -0.96615 4.87003 0.00000 -0.45554 3.09374
|
|
7 7PX -0.14655 0.02065 0.00000 -0.28824 -0.04980
|
|
8 7PY 0.05013 -0.02922 0.00000 0.25926 -0.72353
|
|
9 7PZ 0.00000 0.00000 -0.27894 0.00000 0.00000
|
|
10 8PX 0.16983 -0.05324 0.00000 0.23947 -0.12550
|
|
11 8PY 0.03924 -0.35253 0.00000 -0.94206 2.31843
|
|
12 8PZ 0.00000 0.00000 0.13127 0.00000 0.00000
|
|
13 9PX 4.84560 -0.79645 0.00000 5.79046 3.09197
|
|
14 9PY -1.25587 4.98913 0.00000 2.38916 -3.06794
|
|
15 9PZ 0.00000 0.00000 7.24564 0.00000 0.00000
|
|
16 10PX 1.54352 -0.33507 0.00000 3.14994 1.59256
|
|
17 10PY -0.38344 -3.68586 0.00000 -0.45678 -0.52439
|
|
18 10PZ 0.00000 0.00000 3.69573 0.00000 0.00000
|
|
19 11PX 0.03244 0.13344 0.00000 0.21428 0.18578
|
|
20 11PY 0.03532 -0.16393 0.00000 0.01916 -0.12430
|
|
21 11PZ 0.00000 0.00000 0.25069 0.00000 0.00000
|
|
22 12D 0 0.05324 -0.08665 0.00000 -0.09512 0.07739
|
|
23 12D+1 0.00000 0.00000 -0.04848 0.00000 0.00000
|
|
24 12D-1 0.00000 0.00000 0.14816 0.00000 0.00000
|
|
25 12D+2 -0.01296 -0.11576 0.00000 -0.07880 0.17212
|
|
26 12D-2 0.01862 -0.00280 0.00000 0.14171 0.07107
|
|
27 13D 0 0.10170 0.20152 0.00000 0.18532 0.17767
|
|
28 13D+1 0.00000 0.00000 0.25415 0.00000 0.00000
|
|
29 13D-1 0.00000 0.00000 -0.02897 0.00000 0.00000
|
|
30 13D+2 -0.19624 0.35277 0.00000 -0.10894 0.08418
|
|
31 13D-2 0.37181 -0.05510 0.00000 -0.12114 -0.00475
|
|
32 14D 0 2.72854 -1.51075 0.00000 -0.33676 2.04516
|
|
33 14D+1 0.00000 0.00000 0.69688 0.00000 0.00000
|
|
34 14D-1 0.00000 0.00000 4.49114 0.00000 0.00000
|
|
35 14D+2 -1.74742 -0.51022 0.00000 -2.02088 2.47736
|
|
36 14D-2 -1.20318 0.38062 0.00000 4.26464 2.03062
|
|
37 15D 0 0.13265 -0.99716 0.00000 -0.20927 0.27486
|
|
38 15D+1 0.00000 0.00000 -0.08418 0.00000 0.00000
|
|
39 15D-1 0.00000 0.00000 1.92073 0.00000 0.00000
|
|
40 15D+2 -0.25486 -1.06226 0.00000 -0.58967 0.24949
|
|
41 15D-2 0.52554 -0.11622 0.00000 1.56542 0.70172
|
|
42 16F 0 0.00000 0.00000 0.00327 0.00000 0.00000
|
|
43 16F+1 0.01280 -0.33078 0.00000 0.31460 -0.72964
|
|
44 16F-1 -0.15602 0.21959 0.00000 -0.39805 0.03020
|
|
45 16F+2 0.00000 0.00000 0.05781 0.00000 0.00000
|
|
46 16F-2 0.00000 0.00000 -0.45877 0.00000 0.00000
|
|
47 16F+3 -0.28984 0.11473 0.00000 0.04763 0.10001
|
|
48 16F-3 0.12703 0.22189 0.00000 0.19204 0.41498
|
|
49 17F 0 0.00000 0.00000 -0.06067 0.00000 0.00000
|
|
50 17F+1 -0.15015 0.70124 0.00000 -0.83133 1.93548
|
|
51 17F-1 0.01425 0.33096 0.00000 0.87491 0.10598
|
|
52 17F+2 0.00000 0.00000 -0.20498 0.00000 0.00000
|
|
53 17F-2 0.00000 0.00000 0.91204 0.00000 0.00000
|
|
54 17F+3 0.95697 -0.47640 0.00000 -0.14607 -0.40850
|
|
55 17F-3 -0.27743 0.43988 0.00000 -0.42918 -0.69448
|
|
56 18F 0 0.00000 0.00000 -0.24623 0.00000 0.00000
|
|
57 18F+1 -0.30223 0.49298 0.00000 -0.32854 0.80214
|
|
58 18F-1 -0.32449 0.60753 0.00000 0.72731 0.15448
|
|
59 18F+2 0.00000 0.00000 -0.27318 0.00000 0.00000
|
|
60 18F-2 0.00000 0.00000 0.53520 0.00000 0.00000
|
|
61 18F+3 0.45441 -0.28980 0.00000 -0.41173 -0.28993
|
|
62 18F-3 -0.00552 1.03910 0.00000 -0.45417 -0.27404
|
|
63 19G 0 -0.28194 -0.05861 0.00000 -0.70764 -0.38866
|
|
64 19G+1 0.00000 0.00000 0.56549 0.00000 0.00000
|
|
65 19G-1 0.00000 0.00000 -0.29078 0.00000 0.00000
|
|
66 19G+2 -0.05623 -0.22302 0.00000 0.42816 -0.09554
|
|
67 19G-2 0.13840 -0.11800 0.00000 -0.27316 0.28819
|
|
68 19G+3 0.00000 0.00000 -0.66460 0.00000 0.00000
|
|
69 19G-3 0.00000 0.00000 -0.43533 0.00000 0.00000
|
|
70 19G+4 0.14207 -0.31560 0.00000 0.21601 -0.04518
|
|
71 19G-4 0.25583 0.00700 0.00000 -0.28604 -0.37107
|
|
72 20G 0 0.85544 -0.54281 0.00000 0.28602 0.88484
|
|
73 20G+1 0.00000 0.00000 -0.84469 0.00000 0.00000
|
|
74 20G-1 0.00000 0.00000 0.66217 0.00000 0.00000
|
|
75 20G+2 0.27044 -0.28813 0.00000 -1.09334 0.77898
|
|
76 20G-2 -0.30425 0.75521 0.00000 0.61194 -0.57281
|
|
77 20G+3 0.00000 0.00000 0.43300 0.00000 0.00000
|
|
78 20G-3 0.00000 0.00000 0.73128 0.00000 0.00000
|
|
79 20G+4 -0.33048 -0.14560 0.00000 -0.47767 0.96939
|
|
80 20G-4 -0.14660 -0.41763 0.00000 0.61320 0.95975
|
|
81 21H 0 0.00000 0.00000 0.07083 0.00000 0.00000
|
|
82 21H+1 0.26875 -0.27901 0.00000 -0.47547 0.17579
|
|
83 21H-1 0.32073 -0.14905 0.00000 0.08512 -0.04576
|
|
84 21H+2 0.00000 0.00000 -0.34602 0.00000 0.00000
|
|
85 21H-2 0.00000 0.00000 0.01985 0.00000 0.00000
|
|
86 21H+3 0.28152 -0.47023 0.00000 -0.30894 0.60823
|
|
87 21H-3 -0.41190 0.01228 0.00000 0.07671 0.01104
|
|
88 21H+4 0.00000 0.00000 -0.14808 0.00000 0.00000
|
|
89 21H-4 0.00000 0.00000 0.16889 0.00000 0.00000
|
|
90 21H+5 0.33157 0.14360 0.00000 -0.11089 -0.31962
|
|
91 21H-5 0.14230 0.05014 0.00000 -0.13170 -0.32032
|
|
92 2 S 1S 0.01976 -0.00218 0.00000 -0.00253 0.00978
|
|
93 2S -0.00963 0.00284 0.00000 0.00060 -0.00272
|
|
94 3S 0.39329 -0.02881 0.00000 -0.04838 0.17637
|
|
95 4S 1.56235 -0.01606 0.00000 -0.19016 0.48974
|
|
96 5S -3.61904 0.75871 0.00000 0.78403 -0.01124
|
|
97 6S 3.40894 -3.21685 0.00000 -1.63848 -1.33236
|
|
98 7S 0.93390 -1.99623 0.00000 -0.68223 -0.34426
|
|
99 8PX 0.02005 0.02104 0.00000 -0.00358 -0.00466
|
|
100 8PY -0.00166 -0.01711 0.00000 -0.00808 -0.00146
|
|
101 8PZ 0.00000 0.00000 -0.00340 0.00000 0.00000
|
|
102 9PX -0.00924 -0.00615 0.00000 0.02152 0.00803
|
|
103 9PY 0.01617 -0.01172 0.00000 -0.01347 0.03234
|
|
104 9PZ 0.00000 0.00000 0.01071 0.00000 0.00000
|
|
105 10PX -0.00841 0.03552 0.00000 0.29466 0.09390
|
|
106 10PY 0.17506 -0.11301 0.00000 -0.15001 0.37689
|
|
107 10PZ 0.00000 0.00000 0.13277 0.00000 0.00000
|
|
108 11PX -1.06815 -1.23533 0.00000 -0.96905 -0.17755
|
|
109 11PY -0.34130 0.88587 0.00000 0.59407 -1.01018
|
|
110 11PZ 0.00000 0.00000 -0.42542 0.00000 0.00000
|
|
111 12PX 2.77438 2.86475 0.00000 0.06792 0.02766
|
|
112 12PY -0.27857 -5.30829 0.00000 -0.86214 -0.23978
|
|
113 12PZ 0.00000 0.00000 0.64360 0.00000 0.00000
|
|
114 13PX 0.08630 -0.04457 0.00000 -0.14588 0.02882
|
|
115 13PY 0.08114 -0.33344 0.00000 -0.05694 -0.04444
|
|
116 13PZ 0.00000 0.00000 -0.05598 0.00000 0.00000
|
|
117 14D 0 -0.54972 0.36408 0.00000 0.37592 0.00329
|
|
118 14D+1 0.00000 0.00000 -0.01807 0.00000 0.00000
|
|
119 14D-1 0.00000 0.00000 0.52888 0.00000 0.00000
|
|
120 14D+2 0.70727 2.83952 0.00000 0.10157 0.02281
|
|
121 14D-2 0.05933 0.02589 0.00000 0.35183 0.30248
|
|
122 15D 0 -0.64272 0.44111 0.00000 0.36534 0.38657
|
|
123 15D+1 0.00000 0.00000 0.00849 0.00000 0.00000
|
|
124 15D-1 0.00000 0.00000 0.07735 0.00000 0.00000
|
|
125 15D+2 0.15851 1.48688 0.00000 -0.44830 0.23507
|
|
126 15D-2 -1.92146 0.92837 0.00000 0.32746 -0.09296
|
|
127 16D 0 0.92273 -0.12379 0.00000 -0.27600 -0.05913
|
|
128 16D+1 0.00000 0.00000 -0.06379 0.00000 0.00000
|
|
129 16D-1 0.00000 0.00000 -0.32001 0.00000 0.00000
|
|
130 16D+2 -0.64792 -1.90821 0.00000 -0.12762 0.27779
|
|
131 16D-2 1.63197 -0.37678 0.00000 -0.35734 -0.06979
|
|
132 17D 0 -0.59707 0.08658 0.00000 0.16895 -0.01250
|
|
133 17D+1 0.00000 0.00000 0.04719 0.00000 0.00000
|
|
134 17D-1 0.00000 0.00000 0.23699 0.00000 0.00000
|
|
135 17D+2 0.42279 1.21558 0.00000 0.13935 -0.24427
|
|
136 17D-2 -0.99426 0.17677 0.00000 0.23296 0.07114
|
|
137 18F 0 0.00000 0.00000 -0.14456 0.00000 0.00000
|
|
138 18F+1 -0.35890 -0.34312 0.00000 -0.03058 0.04568
|
|
139 18F-1 0.06086 0.33385 0.00000 0.14261 -0.09262
|
|
140 18F+2 0.00000 0.00000 -0.30635 0.00000 0.00000
|
|
141 18F-2 0.00000 0.00000 0.09419 0.00000 0.00000
|
|
142 18F+3 0.08756 0.48952 0.00000 -0.24442 -0.10132
|
|
143 18F-3 -0.25692 0.51509 0.00000 0.03658 0.10490
|
|
144 19F 0 0.00000 0.00000 0.02730 0.00000 0.00000
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392 14F+1 -0.06845 0.32375 -0.02599 -0.01716 0.09379
|
|
393 14F-1 0.06682 -0.04945 -0.10704 0.09592 0.19706
|
|
394 14F+2 0.09690 -0.13135 0.34842 -0.07833 0.17451
|
|
395 14F-2 -0.05357 0.07719 0.10260 0.14016 -0.12366
|
|
396 14F+3 -0.00276 0.03490 -0.19116 0.06212 -0.11971
|
|
397 14F-3 0.01802 -0.05254 -0.25024 0.03186 -0.04008
|
|
398 15G 0 0.03764 -0.00719 0.04756 -0.06407 0.02951
|
|
399 15G+1 -0.03951 0.03856 0.02752 0.00232 -0.07520
|
|
400 15G-1 -0.04620 0.00956 -0.07630 -0.01513 0.01363
|
|
401 15G+2 -0.00881 -0.00394 0.00869 -0.09079 0.07254
|
|
402 15G-2 -0.01422 -0.00994 -0.01156 0.02560 -0.03668
|
|
403 15G+3 -0.02123 0.00390 -0.06870 0.03420 -0.07013
|
|
404 15G-3 0.03542 -0.01368 -0.02422 0.08019 0.03644
|
|
405 15G+4 0.02165 -0.00540 0.02580 0.00283 0.02439
|
|
406 15G-4 -0.00674 0.00509 0.07021 -0.00755 0.01146
|
|
281 282 283 284 285
|
|
V V V V V
|
|
Eigenvalues -- 10.46430 10.49558 10.51881 10.77305 10.79157
|
|
1 1 C 1S 0.00000 0.00000 0.00212 0.00000 0.00153
|
|
2 2S 0.00000 0.00000 -0.01308 0.00000 -0.01410
|
|
3 3S 0.00000 0.00000 -0.06300 0.00000 -0.07471
|
|
4 4S 0.00000 0.00000 0.72981 0.00000 0.37200
|
|
5 5S 0.00000 0.00000 -2.16818 0.00000 -2.16863
|
|
6 6S 0.00000 0.00000 0.13956 0.00000 -0.54813
|
|
7 7PX 0.00000 0.00000 -0.23122 0.00000 -0.44039
|
|
8 7PY 0.00000 0.00000 -0.08464 0.00000 0.10348
|
|
9 7PZ -0.11525 -0.14932 0.00000 -0.43203 0.00000
|
|
10 8PX 0.00000 0.00000 0.38093 0.00000 1.41945
|
|
11 8PY 0.00000 0.00000 0.37022 0.00000 -0.41817
|
|
12 8PZ 0.21191 0.28867 0.00000 1.26769 0.00000
|
|
13 9PX 0.00000 0.00000 1.87802 0.00000 0.96295
|
|
14 9PY 0.00000 0.00000 -1.31284 0.00000 1.46566
|
|
15 9PZ 0.59092 0.36077 0.00000 2.45233 0.00000
|
|
16 10PX 0.00000 0.00000 0.40029 0.00000 1.43862
|
|
17 10PY 0.00000 0.00000 0.45169 0.00000 0.09083
|
|
18 10PZ 0.27230 -0.07160 0.00000 1.68176 0.00000
|
|
19 11PX 0.00000 0.00000 0.28877 0.00000 -0.23148
|
|
20 11PY 0.00000 0.00000 -0.00638 0.00000 -0.00147
|
|
21 11PZ 0.11481 0.17414 0.00000 -0.16876 0.00000
|
|
22 12D 0 0.00000 0.00000 0.03768 0.00000 0.13395
|
|
23 12D+1 0.00001 -0.00197 0.00000 0.17755 0.00000
|
|
24 12D-1 0.05716 0.08931 0.00000 -0.14098 0.00000
|
|
25 12D+2 0.00000 0.00000 0.01120 0.00000 -0.10739
|
|
26 12D-2 0.00000 0.00000 0.08933 0.00000 -0.16998
|
|
27 13D 0 0.00000 0.00000 0.08859 0.00000 0.08461
|
|
28 13D+1 0.04966 0.05801 0.00000 0.11001 0.00000
|
|
29 13D-1 -0.01538 -0.03480 0.00000 0.24174 0.00000
|
|
30 13D+2 0.00000 0.00000 -0.05783 0.00000 -0.08829
|
|
31 13D-2 0.00000 0.00000 0.00164 0.00000 0.22454
|
|
32 14D 0 0.00000 0.00000 0.70463 0.00000 4.38188
|
|
33 14D+1 -0.02876 -0.22831 0.00000 5.49387 0.00000
|
|
34 14D-1 1.15776 1.50270 0.00000 0.96240 0.00000
|
|
35 14D+2 0.00000 0.00000 -0.41876 0.00000 -2.95074
|
|
36 14D-2 0.00000 0.00000 1.90338 0.00000 -0.30270
|
|
37 15D 0 0.00000 0.00000 0.67925 0.00000 0.64083
|
|
38 15D+1 0.30772 0.31473 0.00000 0.98623 0.00000
|
|
39 15D-1 0.03324 -0.09665 0.00000 -0.76117 0.00000
|
|
40 15D+2 0.00000 0.00000 -0.10390 0.00000 -0.43879
|
|
41 15D-2 0.00000 0.00000 -0.06562 0.00000 -1.08117
|
|
42 16F 0 -0.21981 0.70409 0.00000 -0.41522 0.00000
|
|
43 16F+1 0.00000 0.00000 0.12087 0.00000 -0.08017
|
|
44 16F-1 0.00000 0.00000 -0.29252 0.00000 -0.61382
|
|
45 16F+2 0.72134 0.23665 0.00000 -0.44780 0.00000
|
|
46 16F-2 -0.12226 -0.24423 0.00000 -0.96103 0.00000
|
|
47 16F+3 0.00000 0.00000 0.54699 0.00000 -0.79572
|
|
48 16F-3 0.00000 0.00000 0.31739 0.00000 0.42391
|
|
49 17F 0 0.60179 -1.46123 0.00000 0.53255 0.00000
|
|
50 17F+1 0.00000 0.00000 -0.26743 0.00000 -0.04630
|
|
51 17F-1 0.00000 0.00000 0.82400 0.00000 1.51663
|
|
52 17F+2 -1.48749 -0.36652 0.00000 0.48516 0.00000
|
|
53 17F-2 0.41199 0.76917 0.00000 2.16872 0.00000
|
|
54 17F+3 0.00000 0.00000 -0.98865 0.00000 1.17331
|
|
55 17F-3 0.00000 0.00000 -0.97748 0.00000 -0.97687
|
|
56 18F 0 0.94880 -1.27657 0.00000 -0.24072 0.00000
|
|
57 18F+1 0.00000 0.00000 -0.43175 0.00000 -0.42555
|
|
58 18F-1 0.00000 0.00000 0.03340 0.00000 0.68966
|
|
59 18F+2 -1.39097 0.02624 0.00000 -0.40805 0.00000
|
|
60 18F-2 0.12720 0.38013 0.00000 0.85966 0.00000
|
|
61 18F+3 0.00000 0.00000 -0.46670 0.00000 -0.29986
|
|
62 18F-3 0.00000 0.00000 -0.46509 0.00000 -0.53977
|
|
63 19G 0 0.00000 0.00000 0.21588 0.00000 0.47953
|
|
64 19G+1 0.41999 0.49787 0.00000 -0.04939 0.00000
|
|
65 19G-1 -0.34218 0.57611 0.00000 -0.20007 0.00000
|
|
66 19G+2 0.00000 0.00000 0.57770 0.00000 0.02889
|
|
67 19G-2 0.00000 0.00000 0.29603 0.00000 -0.03311
|
|
68 19G+3 0.16526 0.46429 0.00000 0.62268 0.00000
|
|
69 19G-3 0.71987 -0.18190 0.00000 -0.06022 0.00000
|
|
70 19G+4 0.00000 0.00000 -0.59576 0.00000 -0.23384
|
|
71 19G-4 0.00000 0.00000 0.26281 0.00000 -0.38558
|
|
72 20G 0 0.00000 0.00000 -0.65717 0.00000 0.04546
|
|
73 20G+1 -0.61800 -0.68233 0.00000 -0.88389 0.00000
|
|
74 20G-1 1.08129 -0.92929 0.00000 -0.20702 0.00000
|
|
75 20G+2 0.00000 0.00000 -0.79187 0.00000 -0.97513
|
|
76 20G-2 0.00000 0.00000 -0.40926 0.00000 -0.13475
|
|
77 20G+3 -0.43941 -1.19564 0.00000 -0.56800 0.00000
|
|
78 20G-3 -1.41613 0.72786 0.00000 -0.18907 0.00000
|
|
79 20G+4 0.00000 0.00000 1.25045 0.00000 0.40036
|
|
80 20G-4 0.00000 0.00000 0.10559 0.00000 -0.09596
|
|
81 21H 0 -0.23175 0.14290 0.00000 -0.05009 0.00000
|
|
82 21H+1 0.00000 0.00000 -0.11708 0.00000 -0.03597
|
|
83 21H-1 0.00000 0.00000 -0.09326 0.00000 0.39694
|
|
84 21H+2 -0.31176 -0.17635 0.00000 0.02098 0.00000
|
|
85 21H-2 -0.03330 0.02759 0.00000 -0.44570 0.00000
|
|
86 21H+3 0.00000 0.00000 0.03647 0.00000 -0.02708
|
|
87 21H-3 0.00000 0.00000 -0.00664 0.00000 -0.46506
|
|
88 21H+4 0.26133 -0.32405 0.00000 -0.13292 0.00000
|
|
89 21H-4 0.01569 -0.16223 0.00000 0.31917 0.00000
|
|
90 21H+5 0.00000 0.00000 -0.32804 0.00000 -0.02660
|
|
91 21H-5 0.00000 0.00000 -0.07064 0.00000 0.12305
|
|
92 2 S 1S 0.00000 0.00000 -0.00181 0.00000 0.00129
|
|
93 2S 0.00000 0.00000 0.00015 0.00000 -0.00035
|
|
94 3S 0.00000 0.00000 -0.03275 0.00000 0.02595
|
|
95 4S 0.00000 0.00000 -0.05315 0.00000 0.08195
|
|
96 5S 0.00000 0.00000 -0.69976 0.00000 0.11564
|
|
97 6S 0.00000 0.00000 2.16462 0.00000 -0.77517
|
|
98 7S 0.00000 0.00000 0.58044 0.00000 0.10998
|
|
99 8PX 0.00000 0.00000 0.00606 0.00000 0.00622
|
|
100 8PY 0.00000 0.00000 -0.00003 0.00000 0.00597
|
|
101 8PZ -0.00550 -0.00656 0.00000 0.01134 0.00000
|
|
102 9PX 0.00000 0.00000 -0.02392 0.00000 0.00827
|
|
103 9PY 0.00000 0.00000 0.00937 0.00000 -0.01151
|
|
104 9PZ 0.00068 -0.00122 0.00000 -0.00233 0.00000
|
|
105 10PX 0.00000 0.00000 -0.32556 0.00000 0.10163
|
|
106 10PY 0.00000 0.00000 0.11317 0.00000 -0.15428
|
|
107 10PZ 0.02761 0.01078 0.00000 -0.05932 0.00000
|
|
108 11PX 0.00000 0.00000 0.88282 0.00000 -0.29716
|
|
109 11PY 0.00000 0.00000 -0.35340 0.00000 0.25706
|
|
110 11PZ -0.01366 0.03985 0.00000 0.08737 0.00000
|
|
111 12PX 0.00000 0.00000 0.64871 0.00000 -1.36634
|
|
112 12PY 0.00000 0.00000 0.80734 0.00000 0.78440
|
|
113 12PZ -0.25738 -0.30033 0.00000 -0.58579 0.00000
|
|
114 13PX 0.00000 0.00000 0.04750 0.00000 -0.00609
|
|
115 13PY 0.00000 0.00000 0.04590 0.00000 0.05913
|
|
116 13PZ -0.01219 -0.01564 0.00000 -0.00263 0.00000
|
|
117 14D 0 0.00000 0.00000 -0.41350 0.00000 0.09755
|
|
118 14D+1 -0.08302 -0.02844 0.00000 -0.08281 0.00000
|
|
119 14D-1 -0.18601 -0.22397 0.00000 -0.38148 0.00000
|
|
120 14D+2 0.00000 0.00000 0.10919 0.00000 -0.66956
|
|
121 14D-2 0.00000 0.00000 0.10202 0.00000 -0.25818
|
|
122 15D 0 0.00000 0.00000 -0.59037 0.00000 0.05889
|
|
123 15D+1 -0.12963 -0.08537 0.00000 -0.30109 0.00000
|
|
124 15D-1 -0.14725 -0.22630 0.00000 0.29595 0.00000
|
|
125 15D+2 0.00000 0.00000 0.69612 0.00000 -0.37355
|
|
126 15D-2 0.00000 0.00000 -0.50644 0.00000 0.59882
|
|
127 16D 0 0.00000 0.00000 0.33529 0.00000 0.03555
|
|
128 16D+1 0.09496 0.09501 0.00000 0.18942 0.00000
|
|
129 16D-1 0.18123 0.26550 0.00000 -0.25912 0.00000
|
|
130 16D+2 0.00000 0.00000 -0.15843 0.00000 0.06156
|
|
131 16D-2 0.00000 0.00000 0.36227 0.00000 -0.40508
|
|
132 17D 0 0.00000 0.00000 -0.17623 0.00000 -0.02331
|
|
133 17D+1 -0.05124 -0.05402 0.00000 -0.09547 0.00000
|
|
134 17D-1 -0.11828 -0.17244 0.00000 0.13478 0.00000
|
|
135 17D+2 0.00000 0.00000 0.03161 0.00000 -0.00125
|
|
136 17D-2 0.00000 0.00000 -0.21334 0.00000 0.20765
|
|
137 18F 0 0.03251 0.09642 0.00000 0.15896 0.00000
|
|
138 18F+1 0.00000 0.00000 -0.04934 0.00000 0.15065
|
|
139 18F-1 0.00000 0.00000 -0.17647 0.00000 -0.03565
|
|
140 18F+2 0.09780 0.09022 0.00000 0.10276 0.00000
|
|
141 18F-2 -0.09078 -0.02920 0.00000 0.00355 0.00000
|
|
142 18F+3 0.00000 0.00000 0.05217 0.00000 0.02077
|
|
143 18F-3 0.00000 0.00000 0.18104 0.00000 -0.13034
|
|
144 19F 0 0.13995 0.05657 0.00000 -0.13597 0.00000
|
|
145 19F+1 0.00000 0.00000 -0.21288 0.00000 0.03767
|
|
146 19F-1 0.00000 0.00000 -0.15497 0.00000 -0.25206
|
|
147 19F+2 0.00060 0.18007 0.00000 -0.38742 0.00000
|
|
148 19F-2 -0.09385 -0.18378 0.00000 -0.14178 0.00000
|
|
149 19F+3 0.00000 0.00000 0.48052 0.00000 -0.37460
|
|
150 19F-3 0.00000 0.00000 0.04356 0.00000 0.32323
|
|
151 20F 0 -0.06414 -0.04373 0.00000 0.06819 0.00000
|
|
152 20F+1 0.00000 0.00000 -0.01582 0.00000 0.03843
|
|
153 20F-1 0.00000 0.00000 0.09188 0.00000 0.05219
|
|
154 20F+2 -0.02623 -0.09585 0.00000 0.11605 0.00000
|
|
155 20F-2 0.03778 0.06410 0.00000 0.05669 0.00000
|
|
156 20F+3 0.00000 0.00000 -0.10732 0.00000 0.12275
|
|
157 20F-3 0.00000 0.00000 -0.05108 0.00000 -0.07271
|
|
158 21G 0 0.00000 0.00000 0.20992 0.00000 0.02394
|
|
159 21G+1 0.06625 0.05261 0.00000 0.10399 0.00000
|
|
160 21G-1 0.10450 0.09431 0.00000 -0.11019 0.00000
|
|
161 21G+2 0.00000 0.00000 0.05488 0.00000 0.13482
|
|
162 21G-2 0.00000 0.00000 0.01232 0.00000 -0.09863
|
|
163 21G+3 0.07852 0.16886 0.00000 0.05238 0.00000
|
|
164 21G-3 0.01625 0.12520 0.00000 -0.12901 0.00000
|
|
165 21G+4 0.00000 0.00000 -0.17203 0.00000 -0.07138
|
|
166 21G-4 0.00000 0.00000 0.18110 0.00000 -0.06694
|
|
167 22G 0 0.00000 0.00000 0.02543 0.00000 0.01678
|
|
168 22G+1 0.00344 0.00523 0.00000 0.02106 0.00000
|
|
169 22G-1 -0.01523 -0.02940 0.00000 -0.06268 0.00000
|
|
170 22G+2 0.00000 0.00000 -0.04799 0.00000 0.02526
|
|
171 22G-2 0.00000 0.00000 0.02623 0.00000 -0.03940
|
|
172 22G+3 -0.00594 0.02444 0.00000 0.00307 0.00000
|
|
173 22G-3 -0.01281 -0.02444 0.00000 -0.03036 0.00000
|
|
174 22G+4 0.00000 0.00000 0.04235 0.00000 0.00323
|
|
175 22G-4 0.00000 0.00000 -0.09240 0.00000 0.01842
|
|
176 23H 0 -0.07306 -0.01897 0.00000 0.07158 0.00000
|
|
177 23H+1 0.00000 0.00000 0.03522 0.00000 0.01943
|
|
178 23H-1 0.00000 0.00000 0.11145 0.00000 0.07111
|
|
179 23H+2 -0.04927 -0.05035 0.00000 0.15963 0.00000
|
|
180 23H-2 0.05908 0.06991 0.00000 0.05179 0.00000
|
|
181 23H+3 0.00000 0.00000 -0.04352 0.00000 0.09600
|
|
182 23H-3 0.00000 0.00000 0.05435 0.00000 0.01379
|
|
183 23H+4 0.00360 -0.07728 0.00000 0.09362 0.00000
|
|
184 23H-4 0.04012 0.12332 0.00000 0.07007 0.00000
|
|
185 23H+5 0.00000 0.00000 -0.09424 0.00000 0.18165
|
|
186 23H-5 0.00000 0.00000 -0.13984 0.00000 0.00762
|
|
187 3 H 1S 0.00000 0.00000 0.01374 0.00000 -0.00519
|
|
188 2S 0.00000 0.00000 0.28647 0.00000 -0.14979
|
|
189 3S 0.00000 0.00000 -1.46809 0.00000 1.22551
|
|
190 4S 0.00000 0.00000 -0.74424 0.00000 0.54839
|
|
191 5S 0.00000 0.00000 -0.03743 0.00000 -0.02199
|
|
192 6PX 0.00000 0.00000 0.00723 0.00000 -0.00633
|
|
193 6PY 0.00000 0.00000 -0.00309 0.00000 0.00436
|
|
194 6PZ -0.00048 -0.00049 0.00000 0.00008 0.00000
|
|
195 7PX 0.00000 0.00000 -0.10136 0.00000 0.07994
|
|
196 7PY 0.00000 0.00000 0.08632 0.00000 0.07460
|
|
197 7PZ -0.03049 0.00778 0.00000 -0.05410 0.00000
|
|
198 8PX 0.00000 0.00000 0.91049 0.00000 -0.59953
|
|
199 8PY 0.00000 0.00000 -0.27948 0.00000 -0.14211
|
|
200 8PZ 0.07030 -0.02684 0.00000 0.18700 0.00000
|
|
201 9PX 0.00000 0.00000 0.37826 0.00000 -0.27673
|
|
202 9PY 0.00000 0.00000 -0.25285 0.00000 -0.14206
|
|
203 9PZ 0.03833 -0.03407 0.00000 0.14293 0.00000
|
|
204 10D 0 0.00000 0.00000 0.00926 0.00000 -0.00778
|
|
205 10D+1 -0.00721 0.00470 0.00000 -0.00630 0.00000
|
|
206 10D-1 0.00425 0.00767 0.00000 0.00406 0.00000
|
|
207 10D+2 0.00000 0.00000 0.02225 0.00000 0.00983
|
|
208 10D-2 0.00000 0.00000 0.02150 0.00000 0.00857
|
|
209 11D 0 0.00000 0.00000 0.11080 0.00000 -0.06852
|
|
210 11D+1 -0.00493 -0.00594 0.00000 -0.02276 0.00000
|
|
211 11D-1 -0.01800 0.00562 0.00000 -0.00919 0.00000
|
|
212 11D+2 0.00000 0.00000 -0.13695 0.00000 0.03306
|
|
213 11D-2 0.00000 0.00000 -0.01190 0.00000 0.01319
|
|
214 12D 0 0.00000 0.00000 0.16441 0.00000 0.00565
|
|
215 12D+1 -0.05747 0.03686 0.00000 -0.17219 0.00000
|
|
216 12D-1 0.09071 -0.04900 0.00000 0.08406 0.00000
|
|
217 12D+2 0.00000 0.00000 -0.11760 0.00000 0.24328
|
|
218 12D-2 0.00000 0.00000 0.10567 0.00000 0.23473
|
|
219 13F 0 -0.00746 0.00136 0.00000 -0.00625 0.00000
|
|
220 13F+1 0.00000 0.00000 0.00744 0.00000 -0.01582
|
|
221 13F-1 0.00000 0.00000 -0.03009 0.00000 0.03054
|
|
222 13F+2 -0.00614 -0.00702 0.00000 0.00153 0.00000
|
|
223 13F-2 -0.00874 -0.00287 0.00000 -0.00800 0.00000
|
|
224 13F+3 0.00000 0.00000 0.02005 0.00000 -0.03964
|
|
225 13F-3 0.00000 0.00000 -0.02882 0.00000 0.01621
|
|
226 14F 0 -0.03573 0.00517 0.00000 -0.05750 0.00000
|
|
227 14F+1 0.00000 0.00000 -0.06552 0.00000 0.02685
|
|
228 14F-1 0.00000 0.00000 0.00104 0.00000 0.05007
|
|
229 14F+2 -0.00615 -0.00094 0.00000 0.02945 0.00000
|
|
230 14F-2 -0.03439 0.01872 0.00000 -0.02877 0.00000
|
|
231 14F+3 0.00000 0.00000 -0.00020 0.00000 -0.05665
|
|
232 14F-3 0.00000 0.00000 0.05234 0.00000 -0.08235
|
|
233 15G 0 0.00000 0.00000 -0.00714 0.00000 0.00591
|
|
234 15G+1 -0.00948 0.00433 0.00000 -0.00968 0.00000
|
|
235 15G-1 0.01193 0.00397 0.00000 -0.00037 0.00000
|
|
236 15G+2 0.00000 0.00000 0.00593 0.00000 0.01551
|
|
237 15G-2 0.00000 0.00000 0.00577 0.00000 0.00854
|
|
238 15G+3 -0.01837 0.00851 0.00000 -0.02295 0.00000
|
|
239 15G-3 0.00368 0.00696 0.00000 0.00659 0.00000
|
|
240 15G+4 0.00000 0.00000 -0.02661 0.00000 0.03863
|
|
241 15G-4 0.00000 0.00000 0.03179 0.00000 -0.00015
|
|
242 4 H 1S 0.00000 0.00000 0.10920 0.00000 -0.06821
|
|
243 2S 0.00000 0.00000 -0.58806 0.00000 -0.88344
|
|
244 3S 0.00000 0.00000 3.69076 0.00000 5.35608
|
|
245 4S 0.00000 0.00000 0.36826 0.00000 2.84289
|
|
246 5S 0.00000 0.00000 0.30000 0.00000 -0.24944
|
|
247 6PX 0.00000 0.00000 -0.04389 0.00000 0.09236
|
|
248 6PY 0.00000 0.00000 -0.01780 0.00000 -0.01887
|
|
249 6PZ -0.01193 0.01058 0.00000 -0.01788 0.00000
|
|
250 7PX 0.00000 0.00000 0.09421 0.00000 -0.69776
|
|
251 7PY 0.00000 0.00000 0.15846 0.00000 0.30909
|
|
252 7PZ -0.02930 -0.05475 0.00000 -0.18897 0.00000
|
|
253 8PX 0.00000 0.00000 2.18017 0.00000 3.20187
|
|
254 8PY 0.00000 0.00000 1.42942 0.00000 -1.14626
|
|
255 8PZ 1.68987 -1.00745 0.00000 2.53773 0.00000
|
|
256 9PX 0.00000 0.00000 0.47797 0.00000 1.70674
|
|
257 9PY 0.00000 0.00000 0.21997 0.00000 -1.07481
|
|
258 9PZ 0.62799 -0.12146 0.00000 1.20678 0.00000
|
|
259 10D 0 0.00000 0.00000 0.03467 0.00000 -0.09859
|
|
260 10D+1 0.09584 0.04352 0.00000 -0.08235 0.00000
|
|
261 10D-1 -0.01923 0.01063 0.00000 0.03305 0.00000
|
|
262 10D+2 0.00000 0.00000 -0.09932 0.00000 0.14292
|
|
263 10D-2 0.00000 0.00000 0.09475 0.00000 -0.03038
|
|
264 11D 0 0.00000 0.00000 -0.26224 0.00000 0.03811
|
|
265 11D+1 0.33214 -0.38316 0.00000 0.84745 0.00000
|
|
266 11D-1 0.23959 0.02212 0.00000 -0.06150 0.00000
|
|
267 11D+2 0.00000 0.00000 0.67908 0.00000 0.06775
|
|
268 11D-2 0.00000 0.00000 0.37242 0.00000 -0.18931
|
|
269 12D 0 0.00000 0.00000 -0.34264 0.00000 -0.78684
|
|
270 12D+1 0.61890 -0.31249 0.00000 1.50159 0.00000
|
|
271 12D-1 -0.10314 0.11477 0.00000 0.00690 0.00000
|
|
272 12D+2 0.00000 0.00000 0.42990 0.00000 0.67929
|
|
273 12D-2 0.00000 0.00000 0.68209 0.00000 -0.87178
|
|
274 13F 0 -0.12658 -0.00213 0.00000 -0.01661 0.00000
|
|
275 13F+1 0.00000 0.00000 -0.05679 0.00000 -0.08537
|
|
276 13F-1 0.00000 0.00000 -0.08616 0.00000 0.00003
|
|
277 13F+2 0.16677 -0.00816 0.00000 0.00717 0.00000
|
|
278 13F-2 -0.08688 0.04440 0.00000 0.05836 0.00000
|
|
279 13F+3 0.00000 0.00000 0.10918 0.00000 0.02725
|
|
280 13F-3 0.00000 0.00000 0.22443 0.00000 0.02147
|
|
281 14F 0 0.03480 0.01837 0.00000 -0.37564 0.00000
|
|
282 14F+1 0.00000 0.00000 -0.15561 0.00000 -0.07646
|
|
283 14F-1 0.00000 0.00000 -0.02018 0.00000 0.03092
|
|
284 14F+2 0.07499 -0.13476 0.00000 0.54344 0.00000
|
|
285 14F-2 0.24860 0.00470 0.00000 0.07105 0.00000
|
|
286 14F+3 0.00000 0.00000 0.06141 0.00000 -0.00711
|
|
287 14F-3 0.00000 0.00000 0.11660 0.00000 -0.29521
|
|
288 15G 0 0.00000 0.00000 0.00184 0.00000 -0.03510
|
|
289 15G+1 -0.08412 0.01422 0.00000 -0.09209 0.00000
|
|
290 15G-1 0.00971 -0.02981 0.00000 0.00618 0.00000
|
|
291 15G+2 0.00000 0.00000 -0.07481 0.00000 0.00627
|
|
292 15G-2 0.00000 0.00000 -0.03685 0.00000 0.03195
|
|
293 15G+3 0.13167 -0.04452 0.00000 0.09953 0.00000
|
|
294 15G-3 -0.01297 0.01742 0.00000 0.00102 0.00000
|
|
295 15G+4 0.00000 0.00000 0.12424 0.00000 -0.02325
|
|
296 15G-4 0.00000 0.00000 0.09339 0.00000 0.01758
|
|
297 5 H 1S -0.05855 -0.07617 -0.05795 0.02608 0.00357
|
|
298 2S 0.21293 0.28795 0.29496 0.77991 0.39499
|
|
299 3S -1.05973 -1.01156 -0.56171 -5.25186 -2.27659
|
|
300 4S -0.23951 0.16811 -0.67459 -2.49574 -0.77461
|
|
301 5S -0.10970 -0.18807 -0.13275 0.17496 0.13471
|
|
302 6PX -0.02396 -0.01368 -0.01107 0.03581 -0.00008
|
|
303 6PY 0.00523 0.00529 0.00063 0.02096 0.00823
|
|
304 6PZ -0.01705 -0.03567 -0.02015 0.05094 0.03451
|
|
305 7PX 0.04909 0.08116 -0.00111 -0.15519 -0.24687
|
|
306 7PY -0.01704 -0.01366 -0.05000 -0.29778 -0.14360
|
|
307 7PZ 0.07971 0.11191 0.09247 -0.51527 -0.15290
|
|
308 8PX 1.75481 -0.52795 0.45488 0.34174 2.81012
|
|
309 8PY -0.68234 -1.24790 -0.37350 0.86092 0.21484
|
|
310 8PZ -0.11272 1.32258 0.40067 3.43170 0.25969
|
|
311 9PX 0.45257 -0.32399 0.34276 0.17343 1.22584
|
|
312 9PY -0.11447 -0.25402 0.21192 0.92604 0.41577
|
|
313 9PZ 0.00328 0.26036 0.12329 1.67481 0.00021
|
|
314 10D 0 0.03729 -0.01426 0.07299 -0.04451 -0.09046
|
|
315 10D+1 0.01679 0.07901 -0.01183 -0.11365 0.00551
|
|
316 10D-1 0.06329 0.07271 0.06009 -0.03136 -0.03666
|
|
317 10D+2 -0.00427 0.02963 -0.02860 -0.01618 0.03432
|
|
318 10D-2 0.01063 0.05738 0.03236 -0.03889 0.01989
|
|
319 11D 0 0.10979 -0.49146 -0.18949 -0.46089 0.45312
|
|
320 11D+1 -0.41297 -0.14665 -0.15636 0.14206 -0.49913
|
|
321 11D-1 0.04173 0.23779 -0.05144 -0.07721 0.08362
|
|
322 11D+2 -0.32204 -0.07477 -0.07229 0.06226 -0.44439
|
|
323 11D-2 0.08701 -0.06106 0.14088 0.01999 -0.14941
|
|
324 12D 0 0.19892 -0.49905 0.03434 -1.13447 0.70672
|
|
325 12D+1 -0.45487 0.03218 -0.22341 -0.36020 -1.09989
|
|
326 12D-1 0.33577 0.40548 0.01024 -0.66086 -0.18906
|
|
327 12D+2 -0.29773 0.04547 -0.02141 0.40097 -0.58587
|
|
328 12D-2 -0.03601 0.30968 0.08563 -0.26145 -0.27023
|
|
329 13F 0 -0.03166 0.17456 -0.05210 0.01679 -0.00964
|
|
330 13F+1 0.06634 0.05661 0.06883 0.08431 0.03711
|
|
331 13F-1 -0.11266 -0.04074 -0.06620 -0.02273 0.02533
|
|
332 13F+2 0.10561 0.01869 0.08942 -0.00995 0.00128
|
|
333 13F-2 -0.02088 -0.14401 -0.05782 0.00915 -0.02262
|
|
334 13F+3 0.03720 0.01843 0.04442 -0.01969 -0.00342
|
|
335 13F-3 0.04778 -0.04251 0.00500 -0.00185 -0.03694
|
|
336 14F 0 -0.09340 0.07277 -0.04328 0.30404 -0.46901
|
|
337 14F+1 0.07413 0.04672 0.04083 0.02677 0.10760
|
|
338 14F-1 0.05457 -0.15695 0.10749 0.15640 0.03437
|
|
339 14F+2 0.01597 0.00981 -0.04752 -0.16431 0.31854
|
|
340 14F-2 -0.06807 0.05564 -0.06715 0.10396 0.08475
|
|
341 14F+3 0.08650 -0.09815 -0.00784 -0.11717 0.15142
|
|
342 14F-3 -0.03182 0.06855 -0.09232 0.06738 0.08676
|
|
343 15G 0 0.05377 -0.12276 0.03245 -0.06294 0.08290
|
|
344 15G+1 -0.02164 -0.08364 -0.02345 -0.01481 0.03235
|
|
345 15G-1 0.03981 -0.01023 0.01212 0.01044 0.02656
|
|
346 15G+2 -0.06473 -0.04486 -0.05219 0.03145 -0.04167
|
|
347 15G-2 0.01515 0.03337 0.00949 -0.00679 -0.01419
|
|
348 15G+3 -0.08599 -0.02706 -0.06366 -0.00076 -0.05423
|
|
349 15G-3 -0.04087 0.01951 0.01607 0.02767 -0.01740
|
|
350 15G+4 -0.02994 0.02320 -0.00466 0.01547 -0.01632
|
|
351 15G-4 -0.01366 0.00807 -0.01019 0.02300 0.00843
|
|
352 6 H 1S 0.05855 0.07617 -0.05795 -0.02608 0.00357
|
|
353 2S -0.21293 -0.28795 0.29496 -0.77991 0.39499
|
|
354 3S 1.05973 1.01156 -0.56171 5.25186 -2.27659
|
|
355 4S 0.23951 -0.16811 -0.67459 2.49574 -0.77461
|
|
356 5S 0.10970 0.18807 -0.13275 -0.17496 0.13471
|
|
357 6PX 0.02396 0.01368 -0.01107 -0.03581 -0.00008
|
|
358 6PY -0.00523 -0.00529 0.00063 -0.02096 0.00823
|
|
359 6PZ -0.01705 -0.03567 0.02015 0.05094 -0.03451
|
|
360 7PX -0.04909 -0.08116 -0.00111 0.15519 -0.24687
|
|
361 7PY 0.01704 0.01366 -0.05000 0.29778 -0.14360
|
|
362 7PZ 0.07971 0.11191 -0.09247 -0.51527 0.15290
|
|
363 8PX -1.75481 0.52795 0.45488 -0.34174 2.81012
|
|
364 8PY 0.68234 1.24790 -0.37350 -0.86092 0.21484
|
|
365 8PZ -0.11272 1.32258 -0.40067 3.43170 -0.25969
|
|
366 9PX -0.45257 0.32399 0.34276 -0.17343 1.22584
|
|
367 9PY 0.11447 0.25402 0.21192 -0.92604 0.41577
|
|
368 9PZ 0.00328 0.26036 -0.12329 1.67481 -0.00021
|
|
369 10D 0 -0.03729 0.01426 0.07299 0.04451 -0.09046
|
|
370 10D+1 0.01679 0.07901 0.01183 -0.11365 -0.00551
|
|
371 10D-1 0.06329 0.07271 -0.06009 -0.03136 0.03666
|
|
372 10D+2 0.00427 -0.02963 -0.02860 0.01618 0.03432
|
|
373 10D-2 -0.01063 -0.05738 0.03236 0.03889 0.01989
|
|
374 11D 0 -0.10979 0.49146 -0.18949 0.46089 0.45312
|
|
375 11D+1 -0.41297 -0.14665 0.15636 0.14206 0.49913
|
|
376 11D-1 0.04173 0.23779 0.05144 -0.07721 -0.08362
|
|
377 11D+2 0.32204 0.07477 -0.07229 -0.06226 -0.44439
|
|
378 11D-2 -0.08701 0.06106 0.14088 -0.01999 -0.14941
|
|
379 12D 0 -0.19892 0.49905 0.03434 1.13447 0.70672
|
|
380 12D+1 -0.45487 0.03218 0.22341 -0.36020 1.09989
|
|
381 12D-1 0.33577 0.40548 -0.01024 -0.66086 0.18906
|
|
382 12D+2 0.29773 -0.04547 -0.02141 -0.40097 -0.58587
|
|
383 12D-2 0.03601 -0.30968 0.08563 0.26145 -0.27023
|
|
384 13F 0 -0.03166 0.17456 0.05210 0.01679 0.00964
|
|
385 13F+1 -0.06634 -0.05661 0.06883 -0.08431 0.03711
|
|
386 13F-1 0.11266 0.04074 -0.06620 0.02273 0.02533
|
|
387 13F+2 0.10561 0.01869 -0.08942 -0.00995 -0.00128
|
|
388 13F-2 -0.02088 -0.14401 0.05782 0.00915 0.02262
|
|
389 13F+3 -0.03720 -0.01843 0.04442 0.01969 -0.00342
|
|
390 13F-3 -0.04778 0.04251 0.00500 0.00185 -0.03694
|
|
391 14F 0 -0.09340 0.07277 0.04328 0.30404 0.46901
|
|
392 14F+1 -0.07413 -0.04672 0.04083 -0.02677 0.10760
|
|
393 14F-1 -0.05457 0.15695 0.10749 -0.15640 0.03437
|
|
394 14F+2 0.01597 0.00981 0.04752 -0.16431 -0.31854
|
|
395 14F-2 -0.06807 0.05564 0.06715 0.10396 -0.08475
|
|
396 14F+3 -0.08650 0.09815 -0.00784 0.11717 0.15142
|
|
397 14F-3 0.03182 -0.06855 -0.09232 -0.06738 0.08676
|
|
398 15G 0 -0.05377 0.12276 0.03245 0.06294 0.08290
|
|
399 15G+1 -0.02164 -0.08364 0.02345 -0.01481 -0.03235
|
|
400 15G-1 0.03981 -0.01023 -0.01212 0.01044 -0.02656
|
|
401 15G+2 0.06473 0.04486 -0.05219 -0.03145 -0.04167
|
|
402 15G-2 -0.01515 -0.03337 0.00949 0.00679 -0.01419
|
|
403 15G+3 -0.08599 -0.02706 0.06366 -0.00076 0.05423
|
|
404 15G-3 -0.04087 0.01951 -0.01607 0.02767 0.01740
|
|
405 15G+4 0.02994 -0.02320 -0.00466 -0.01547 -0.01632
|
|
406 15G-4 0.01366 -0.00807 -0.01019 -0.02300 0.00843
|
|
286 287 288 289 290
|
|
V V V V V
|
|
Eigenvalues -- 10.93055 11.06925 11.12277 11.17531 11.49330
|
|
1 1 C 1S 0.03585 0.00000 -0.01001 -0.01556 -0.00609
|
|
2 2S -0.56581 0.00000 0.03158 0.04375 0.08373
|
|
3 3S -2.97761 0.00000 -0.06425 -0.05500 0.65405
|
|
4 4S 4.30615 0.00000 1.23631 1.65841 -2.98396
|
|
5 5S 6.99366 0.00000 -2.11557 -3.97269 2.87876
|
|
6 6S -0.42954 0.00000 -0.58246 -1.69421 0.05495
|
|
7 7PX 0.03489 0.00000 -0.31900 0.25811 0.96580
|
|
8 7PY 0.20413 0.00000 0.12992 0.32958 0.19235
|
|
9 7PZ 0.00000 -0.40784 0.00000 0.00000 0.00000
|
|
10 8PX -0.08694 0.00000 0.04834 -0.25809 -4.49328
|
|
11 8PY -1.57126 0.00000 -1.17583 -2.05088 -0.69748
|
|
12 8PZ 0.00000 0.17424 0.00000 0.00000 0.00000
|
|
13 9PX -0.36275 0.00000 7.00447 -3.52138 12.18091
|
|
14 9PY 8.04596 0.00000 6.48706 9.16938 0.56203
|
|
15 9PZ 0.00000 7.90345 0.00000 0.00000 0.00000
|
|
16 10PX -0.16887 0.00000 2.93225 -1.19819 10.06186
|
|
17 10PY 2.96113 0.00000 1.21826 2.37935 0.75808
|
|
18 10PZ 0.00000 2.60865 0.00000 0.00000 0.00000
|
|
19 11PX 0.03563 0.00000 0.32582 -0.27440 0.11213
|
|
20 11PY 0.45866 0.00000 0.19159 0.42332 -0.01637
|
|
21 11PZ 0.00000 0.38345 0.00000 0.00000 0.00000
|
|
22 12D 0 -0.10454 0.00000 0.00206 -0.08059 -0.29571
|
|
23 12D+1 0.00000 0.02556 0.00000 0.00000 0.00000
|
|
24 12D-1 0.00000 -0.07760 0.00000 0.00000 0.00000
|
|
25 12D+2 -0.13188 0.00000 -0.02146 -0.06665 0.13513
|
|
26 12D-2 -0.01594 0.00000 -0.10617 0.04760 -0.18781
|
|
27 13D 0 0.06256 0.00000 0.12765 -0.11601 -0.29881
|
|
28 13D+1 0.00000 0.16877 0.00000 0.00000 0.00000
|
|
29 13D-1 0.00000 -0.12350 0.00000 0.00000 0.00000
|
|
30 13D+2 0.11357 0.00000 -0.11841 -0.01807 0.08733
|
|
31 13D-2 0.01208 0.00000 -0.06428 0.07895 -0.12880
|
|
32 14D 0 -0.37626 0.00000 0.34166 -0.82185 5.32197
|
|
33 14D+1 0.00000 1.03688 0.00000 0.00000 0.00000
|
|
34 14D-1 0.00000 5.03910 0.00000 0.00000 0.00000
|
|
35 14D+2 0.16101 0.00000 -1.52193 -0.62024 -2.83535
|
|
36 14D-2 -0.10294 0.00000 3.60018 -2.47912 2.85522
|
|
37 15D 0 0.26023 0.00000 0.54347 -0.44048 2.53664
|
|
38 15D+1 0.00000 0.83686 0.00000 0.00000 0.00000
|
|
39 15D-1 0.00000 1.90051 0.00000 0.00000 0.00000
|
|
40 15D+2 0.53308 0.00000 -0.63043 0.37213 -1.42473
|
|
41 15D-2 0.05600 0.00000 1.34177 -0.62973 0.27640
|
|
42 16F 0 0.00000 -0.30112 0.00000 0.00000 0.00000
|
|
43 16F+1 0.13931 0.00000 0.17914 0.53624 -0.30354
|
|
44 16F-1 -0.08623 0.00000 -0.05516 0.08066 -0.62974
|
|
45 16F+2 0.00000 -0.35115 0.00000 0.00000 0.00000
|
|
46 16F-2 0.00000 -0.23981 0.00000 0.00000 0.00000
|
|
47 16F+3 0.05812 0.00000 -0.56303 0.24984 -0.41320
|
|
48 16F-3 -0.25130 0.00000 0.00376 -0.11722 0.28945
|
|
49 17F 0 0.00000 0.24102 0.00000 0.00000 0.00000
|
|
50 17F+1 0.39159 0.00000 -0.52662 -1.13657 0.60247
|
|
51 17F-1 0.73684 0.00000 0.34607 -0.09102 1.38062
|
|
52 17F+2 0.00000 0.15927 0.00000 0.00000 0.00000
|
|
53 17F-2 0.00000 0.77763 0.00000 0.00000 0.00000
|
|
54 17F+3 -0.35461 0.00000 0.75165 -0.17391 1.25059
|
|
55 17F-3 1.18065 0.00000 -0.01175 0.49399 -0.74848
|
|
56 18F 0 0.00000 0.93802 0.00000 0.00000 0.00000
|
|
57 18F+1 -0.25247 0.00000 0.23429 -0.40810 0.26276
|
|
58 18F-1 -0.03552 0.00000 0.18333 0.50373 0.47104
|
|
59 18F+2 0.00000 1.13776 0.00000 0.00000 0.00000
|
|
60 18F-2 0.00000 0.00856 0.00000 0.00000 0.00000
|
|
61 18F+3 0.08169 0.00000 1.15770 -0.82960 -0.03479
|
|
62 18F-3 -0.00324 0.00000 0.51091 0.25493 -0.04561
|
|
63 19G 0 0.04118 0.00000 -0.42420 -0.19907 -0.10936
|
|
64 19G+1 0.00000 -0.01013 0.00000 0.00000 0.00000
|
|
65 19G-1 0.00000 0.73702 0.00000 0.00000 0.00000
|
|
66 19G+2 0.03293 0.00000 -0.33191 -0.37686 0.15998
|
|
67 19G-2 1.03392 0.00000 0.27501 -0.14548 0.03035
|
|
68 19G+3 0.00000 -0.34798 0.00000 0.00000 0.00000
|
|
69 19G-3 0.00000 0.57925 0.00000 0.00000 0.00000
|
|
70 19G+4 0.33059 0.00000 -0.37503 -0.59349 -0.09404
|
|
71 19G-4 -0.31368 0.00000 0.64529 -0.59391 0.04303
|
|
72 20G 0 -0.52833 0.00000 -0.73023 0.03829 -0.45288
|
|
73 20G+1 0.00000 0.70827 0.00000 0.00000 0.00000
|
|
74 20G-1 0.00000 -0.78943 0.00000 0.00000 0.00000
|
|
75 20G+2 -0.72005 0.00000 0.29701 -0.71565 0.85530
|
|
76 20G-2 0.11485 0.00000 0.11148 0.71827 0.61390
|
|
77 20G+3 0.00000 -0.38094 0.00000 0.00000 0.00000
|
|
78 20G-3 0.00000 -0.82403 0.00000 0.00000 0.00000
|
|
79 20G+4 -1.12333 0.00000 -0.35077 -0.39409 -0.50985
|
|
80 20G-4 -0.25987 0.00000 -1.02536 0.29415 0.89931
|
|
81 21H 0 0.00000 -0.19727 0.00000 0.00000 0.00000
|
|
82 21H+1 -0.17986 0.00000 -0.22273 -0.13382 0.42761
|
|
83 21H-1 0.10162 0.00000 -0.30155 0.11169 0.06647
|
|
84 21H+2 0.00000 -0.41388 0.00000 0.00000 0.00000
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337 14F+1 0.14107 0.32419 0.31332 0.19735 -0.35118
|
|
338 14F-1 -0.06582 -0.14670 -0.00646 -0.21766 -0.23304
|
|
339 14F+2 0.24870 0.24681 0.11128 0.42489 -0.13439
|
|
340 14F-2 -0.06166 0.00401 -0.23721 -0.12449 -0.12737
|
|
341 14F+3 0.15274 0.03286 0.12475 0.16903 -0.04884
|
|
342 14F-3 0.00417 0.01100 -0.09129 0.09232 -0.03397
|
|
343 15G 0 -0.01569 0.03877 0.00950 -0.03339 0.03154
|
|
344 15G+1 -0.05161 -0.04614 -0.02550 -0.00993 -0.03894
|
|
345 15G-1 -0.01679 0.00458 0.00575 -0.02918 -0.07704
|
|
346 15G+2 -0.03837 -0.00289 -0.00734 -0.03360 -0.00521
|
|
347 15G-2 -0.05135 0.02021 -0.00253 0.00202 -0.06464
|
|
348 15G+3 -0.01429 0.05092 0.01282 -0.04549 0.01787
|
|
349 15G-3 -0.01051 0.01422 0.00453 -0.02394 0.01081
|
|
350 15G+4 -0.01374 0.00020 0.00168 0.00141 0.01813
|
|
351 15G-4 0.00614 0.02454 -0.02794 -0.00223 -0.02572
|
|
352 6 H 1S -0.21963 0.16160 -0.08302 0.01453 -0.17507
|
|
353 2S 0.37247 -0.56937 0.40741 -0.05996 -0.88567
|
|
354 3S -3.72671 6.39976 -3.85359 0.52218 -5.18445
|
|
355 4S -0.78251 3.68209 -1.98666 1.13207 -4.26787
|
|
356 5S -0.14950 0.19748 -0.10940 0.01326 0.22481
|
|
357 6PX -0.04831 0.03193 -0.00888 0.00836 -0.06538
|
|
358 6PY -0.03413 0.01899 -0.00317 0.00857 -0.06005
|
|
359 6PZ 0.09075 -0.05731 0.01742 -0.01580 0.12444
|
|
360 7PX 0.21850 -0.04003 0.01173 -0.10985 0.39156
|
|
361 7PY 0.22894 0.02301 0.02451 0.10833 0.32590
|
|
362 7PZ -0.37651 0.13952 0.09311 0.10778 -0.76972
|
|
363 8PX 0.91693 -2.02878 0.08770 0.90601 0.15339
|
|
364 8PY -0.89938 -0.80855 -0.55710 -1.91019 0.90726
|
|
365 8PZ -1.97669 2.32418 -2.62625 -0.10924 -0.95443
|
|
366 9PX 0.32022 -1.09281 0.13894 0.12397 0.56749
|
|
367 9PY -0.42931 -0.57032 0.02233 -0.82311 0.88166
|
|
368 9PZ -0.73222 1.54348 -1.27462 0.24145 -1.13972
|
|
369 10D 0 0.14019 -0.06641 0.14738 0.00031 0.00223
|
|
370 10D+1 -0.13473 0.11573 -0.04561 -0.06306 0.04699
|
|
371 10D-1 -0.06673 0.01080 0.03144 0.05578 0.02469
|
|
372 10D+2 0.04569 -0.09604 0.01088 0.01439 -0.04237
|
|
373 10D-2 0.03403 -0.01210 -0.02712 -0.02578 0.01584
|
|
374 11D 0 -0.68989 0.27648 -0.81011 -0.10998 -0.00346
|
|
375 11D+1 0.58840 -0.71592 0.22717 0.28775 -0.09521
|
|
376 11D-1 -0.00488 0.05992 -0.19087 -0.50794 0.15890
|
|
377 11D+2 -0.28595 0.18745 -0.07345 -0.43139 0.11798
|
|
378 11D-2 -0.00124 0.08995 0.30365 0.14197 -0.08921
|
|
379 12D 0 -0.54437 0.23957 -1.04149 -0.19061 0.14490
|
|
380 12D+1 0.19984 -0.77229 0.22357 0.43417 -0.32433
|
|
381 12D-1 -0.54169 -0.14433 -0.15918 -0.77807 -0.02153
|
|
382 12D+2 -0.44379 0.21543 -0.05402 -0.62380 0.25125
|
|
383 12D-2 0.28833 0.19191 0.31729 0.25520 -0.10526
|
|
384 13F 0 0.02293 -0.01637 0.14721 -0.01768 -0.01857
|
|
385 13F+1 -0.02661 0.01838 -0.07502 -0.09053 0.19365
|
|
386 13F-1 -0.01850 -0.02602 -0.01509 0.04954 0.15656
|
|
387 13F+2 0.01806 -0.11343 0.04470 0.04886 -0.05869
|
|
388 13F-2 -0.02747 -0.02926 -0.05260 -0.02339 -0.13787
|
|
389 13F+3 0.00133 0.07462 -0.02031 -0.00990 0.02140
|
|
390 13F-3 -0.04436 0.01988 0.02847 -0.02364 0.02528
|
|
391 14F 0 -0.28340 -0.01315 -0.50389 -0.11726 0.08168
|
|
392 14F+1 0.14107 -0.32419 0.31332 0.19735 -0.35118
|
|
393 14F-1 -0.06582 0.14670 -0.00646 -0.21766 -0.23304
|
|
394 14F+2 -0.24870 0.24681 -0.11128 -0.42489 0.13439
|
|
395 14F-2 0.06166 0.00401 0.23721 0.12449 0.12737
|
|
396 14F+3 0.15274 -0.03286 0.12475 0.16903 -0.04884
|
|
397 14F-3 0.00417 -0.01100 -0.09129 0.09232 -0.03397
|
|
398 15G 0 -0.01569 -0.03877 0.00950 -0.03339 0.03154
|
|
399 15G+1 0.05161 -0.04614 0.02550 0.00993 0.03894
|
|
400 15G-1 0.01679 0.00458 -0.00575 0.02918 0.07704
|
|
401 15G+2 -0.03837 0.00289 -0.00734 -0.03360 -0.00521
|
|
402 15G-2 -0.05135 -0.02021 -0.00253 0.00202 -0.06464
|
|
403 15G+3 0.01429 0.05092 -0.01282 0.04549 -0.01787
|
|
404 15G-3 0.01051 0.01422 -0.00453 0.02394 -0.01081
|
|
405 15G+4 -0.01374 -0.00020 0.00168 0.00141 0.01813
|
|
406 15G-4 0.00614 -0.02454 -0.02794 -0.00223 -0.02572
|
|
291 292 293 294 295
|
|
V V V V V
|
|
Eigenvalues -- 11.49985 11.54563 11.57304 11.60372 11.80398
|
|
1 1 C 1S 0.00000 0.03610 0.00000 0.01015 0.00000
|
|
2 2S 0.00000 -0.43153 0.00000 -0.14130 0.00000
|
|
3 3S 0.00000 -3.18779 0.00000 -1.02076 0.00000
|
|
4 4S 0.00000 14.14612 0.00000 4.43900 0.00000
|
|
5 5S 0.00000 -12.43174 0.00000 -3.78275 0.00000
|
|
6 6S 0.00000 -0.17782 0.00000 -0.44547 0.00000
|
|
7 7PX 0.00000 0.29329 0.00000 -0.02163 0.00000
|
|
8 7PY 0.00000 -0.70107 0.00000 -0.13176 0.00000
|
|
9 7PZ 0.99370 0.00000 -0.30490 0.00000 -0.06286
|
|
10 8PX 0.00000 -0.94985 0.00000 -0.98377 0.00000
|
|
11 8PY 0.00000 2.59106 0.00000 0.55300 0.00000
|
|
12 8PZ -4.74185 0.00000 0.12511 0.00000 0.27674
|
|
13 9PX 0.00000 0.13653 0.00000 9.32396 0.00000
|
|
14 9PY 0.00000 -2.56490 0.00000 -0.28336 0.00000
|
|
15 9PZ 13.64703 0.00000 7.29476 0.00000 -0.56457
|
|
16 10PX 0.00000 1.05725 0.00000 3.71795 0.00000
|
|
17 10PY 0.00000 0.30200 0.00000 1.12708 0.00000
|
|
18 10PZ 10.79136 0.00000 2.19105 0.00000 -0.50110
|
|
19 11PX 0.00000 -0.07540 0.00000 0.38092 0.00000
|
|
20 11PY 0.00000 0.09839 0.00000 0.07641 0.00000
|
|
21 11PZ 0.16740 0.00000 0.40888 0.00000 -0.01295
|
|
22 12D 0 0.00000 0.06599 0.00000 0.01098 0.00000
|
|
23 12D+1 -0.30047 0.00000 0.06045 0.00000 0.01361
|
|
24 12D-1 -0.27345 0.00000 -0.22542 0.00000 0.01066
|
|
25 12D+2 0.00000 0.22966 0.00000 0.08493 0.00000
|
|
26 12D-2 0.00000 0.06171 0.00000 -0.22583 0.00000
|
|
27 13D 0 0.00000 0.12926 0.00000 0.21398 0.00000
|
|
28 13D+1 -0.22710 0.00000 0.24836 0.00000 0.02166
|
|
29 13D-1 -0.07788 0.00000 0.47847 0.00000 0.01629
|
|
30 13D+2 0.00000 0.43460 0.00000 -0.07720 0.00000
|
|
31 13D-2 0.00000 -0.10659 0.00000 0.39580 0.00000
|
|
32 14D 0 0.00000 -0.14865 0.00000 -0.14821 0.00000
|
|
33 14D+1 5.15714 0.00000 -1.17573 0.00000 -0.25262
|
|
34 14D-1 3.08546 0.00000 -2.91081 0.00000 -0.13863
|
|
35 14D+2 0.00000 -2.66085 0.00000 0.38752 0.00000
|
|
36 14D-2 0.00000 0.96027 0.00000 -2.32400 0.00000
|
|
37 15D 0 0.00000 0.43761 0.00000 0.37485 0.00000
|
|
38 15D+1 2.48822 0.00000 -0.15807 0.00000 -0.19422
|
|
39 15D-1 0.59902 0.00000 -0.42611 0.00000 0.02903
|
|
40 15D+2 0.00000 -0.04358 0.00000 0.14361 0.00000
|
|
41 15D-2 0.00000 0.15417 0.00000 -0.28554 0.00000
|
|
42 16F 0 -0.40620 0.00000 -0.60909 0.00000 -1.25215
|
|
43 16F+1 0.00000 1.03329 0.00000 -0.08916 0.00000
|
|
44 16F-1 0.00000 0.01712 0.00000 0.84131 0.00000
|
|
45 16F+2 -0.32494 0.00000 -0.88898 0.00000 1.00383
|
|
46 16F-2 -0.56642 0.00000 0.92498 0.00000 0.15098
|
|
47 16F+3 0.00000 -0.18813 0.00000 -0.92975 0.00000
|
|
48 16F-3 0.00000 0.52240 0.00000 -0.54426 0.00000
|
|
49 17F 0 1.26450 0.00000 2.03801 0.00000 4.34055
|
|
50 17F+1 0.00000 -1.71590 0.00000 0.75938 0.00000
|
|
51 17F-1 0.00000 0.49177 0.00000 -2.20334 0.00000
|
|
52 17F+2 1.05946 0.00000 2.83871 0.00000 -3.43197
|
|
53 17F-2 1.25895 0.00000 -2.57670 0.00000 -0.49354
|
|
54 17F+3 0.00000 -0.00781 0.00000 2.95409 0.00000
|
|
55 17F-3 0.00000 -0.90524 0.00000 1.91843 0.00000
|
|
56 18F 0 0.13047 0.00000 0.24479 0.00000 1.12087
|
|
57 18F+1 0.00000 -1.38897 0.00000 -0.16700 0.00000
|
|
58 18F-1 0.00000 -0.79944 0.00000 -0.83095 0.00000
|
|
59 18F+2 -0.13526 0.00000 0.38140 0.00000 -0.88369
|
|
60 18F-2 0.35514 0.00000 -0.62728 0.00000 -0.09662
|
|
61 18F+3 0.00000 0.40413 0.00000 0.37468 0.00000
|
|
62 18F-3 0.00000 -1.15357 0.00000 0.15530 0.00000
|
|
63 19G 0 0.00000 0.07570 0.00000 -0.05967 0.00000
|
|
64 19G+1 0.31647 0.00000 0.63953 0.00000 -0.05337
|
|
65 19G-1 0.06397 0.00000 -0.08195 0.00000 0.46945
|
|
66 19G+2 0.00000 -0.02774 0.00000 0.63972 0.00000
|
|
67 19G-2 0.00000 -0.00764 0.00000 -0.01050 0.00000
|
|
68 19G+3 -0.00112 0.00000 0.29034 0.00000 0.10584
|
|
69 19G-3 -0.02355 0.00000 -0.06759 0.00000 -0.53685
|
|
70 19G+4 0.00000 0.17268 0.00000 -0.30464 0.00000
|
|
71 19G-4 0.00000 0.05565 0.00000 -0.25322 0.00000
|
|
72 20G 0 0.00000 -0.14828 0.00000 -0.40380 0.00000
|
|
73 20G+1 1.28652 0.00000 1.31070 0.00000 -0.20216
|
|
74 20G-1 1.06546 0.00000 0.37348 0.00000 0.86508
|
|
75 20G+2 0.00000 -0.27182 0.00000 1.32881 0.00000
|
|
76 20G-2 0.00000 -0.62866 0.00000 0.20353 0.00000
|
|
77 20G+3 0.00549 0.00000 0.41590 0.00000 0.22886
|
|
78 20G-3 0.83376 0.00000 0.37594 0.00000 -1.05085
|
|
79 20G+4 0.00000 -0.11971 0.00000 -0.93298 0.00000
|
|
80 20G-4 0.00000 0.33483 0.00000 0.48928 0.00000
|
|
81 21H 0 -0.16743 0.00000 0.48334 0.00000 0.07020
|
|
82 21H+1 0.00000 0.02952 0.00000 -0.03411 0.00000
|
|
83 21H-1 0.00000 -0.09559 0.00000 -0.13390 0.00000
|
|
84 21H+2 0.28731 0.00000 0.20449 0.00000 0.00049
|
|
85 21H-2 0.76768 0.00000 0.06053 0.00000 -0.06764
|
|
86 21H+3 0.00000 -0.19757 0.00000 0.30228 0.00000
|
|
87 21H-3 0.00000 -0.09795 0.00000 0.20944 0.00000
|
|
88 21H+4 -0.01139 0.00000 0.38175 0.00000 -0.06269
|
|
89 21H-4 0.09745 0.00000 -0.02006 0.00000 -0.00576
|
|
90 21H+5 0.00000 0.01969 0.00000 0.52379 0.00000
|
|
91 21H-5 0.00000 -0.26436 0.00000 0.05791 0.00000
|
|
92 2 S 1S 0.00000 -0.00364 0.00000 -0.00340 0.00000
|
|
93 2S 0.00000 -0.00858 0.00000 0.00143 0.00000
|
|
94 3S 0.00000 -0.07278 0.00000 -0.06675 0.00000
|
|
95 4S 0.00000 -0.32301 0.00000 -0.18012 0.00000
|
|
96 5S 0.00000 0.26465 0.00000 -0.43552 0.00000
|
|
97 6S 0.00000 1.64047 0.00000 1.91419 0.00000
|
|
98 7S 0.00000 0.28192 0.00000 0.83629 0.00000
|
|
99 8PX 0.00000 0.00397 0.00000 -0.00520 0.00000
|
|
100 8PY 0.00000 -0.02364 0.00000 -0.00092 0.00000
|
|
101 8PZ -0.00821 0.00000 -0.00934 0.00000 0.00010
|
|
102 9PX 0.00000 -0.00929 0.00000 -0.00268 0.00000
|
|
103 9PY 0.00000 0.00102 0.00000 -0.00749 0.00000
|
|
104 9PZ 0.00320 0.00000 0.00349 0.00000 -0.00013
|
|
105 10PX 0.00000 -0.15994 0.00000 -0.03658 0.00000
|
|
106 10PY 0.00000 0.06637 0.00000 -0.09442 0.00000
|
|
107 10PZ 0.05934 0.00000 0.08446 0.00000 -0.00109
|
|
108 11PX 0.00000 0.47489 0.00000 0.31773 0.00000
|
|
109 11PY 0.00000 0.42057 0.00000 0.30331 0.00000
|
|
110 11PZ 0.15938 0.00000 -0.03896 0.00000 -0.01533
|
|
111 12PX 0.00000 0.38775 0.00000 -0.26627 0.00000
|
|
112 12PY 0.00000 0.52008 0.00000 0.86606 0.00000
|
|
113 12PZ -1.34450 0.00000 -0.59193 0.00000 0.10872
|
|
114 13PX 0.00000 -0.00386 0.00000 0.05019 0.00000
|
|
115 13PY 0.00000 0.03358 0.00000 0.06989 0.00000
|
|
116 13PZ -0.07980 0.00000 -0.04692 0.00000 0.01222
|
|
117 14D 0 0.00000 -0.09484 0.00000 -0.20323 0.00000
|
|
118 14D+1 -0.07044 0.00000 0.14146 0.00000 0.03704
|
|
119 14D-1 -1.12933 0.00000 -0.47508 0.00000 0.08610
|
|
120 14D+2 0.00000 0.14106 0.00000 -0.11377 0.00000
|
|
121 14D-2 0.00000 0.24144 0.00000 -0.63300 0.00000
|
|
122 15D 0 0.00000 -0.11525 0.00000 -0.33738 0.00000
|
|
123 15D+1 0.04475 0.00000 -0.03093 0.00000 0.01093
|
|
124 15D-1 -0.56278 0.00000 -0.38463 0.00000 0.00248
|
|
125 15D+2 0.00000 0.50678 0.00000 0.13891 0.00000
|
|
126 15D-2 0.00000 -0.03760 0.00000 -0.62436 0.00000
|
|
127 16D 0 0.00000 -0.13847 0.00000 0.06902 0.00000
|
|
128 16D+1 0.01446 0.00000 0.02880 0.00000 -0.00532
|
|
129 16D-1 0.38728 0.00000 0.22226 0.00000 -0.00604
|
|
130 16D+2 0.00000 -0.39317 0.00000 -0.12129 0.00000
|
|
131 16D-2 0.00000 0.00698 0.00000 0.36275 0.00000
|
|
132 17D 0 0.00000 0.07973 0.00000 -0.01738 0.00000
|
|
133 17D+1 -0.01387 0.00000 -0.01857 0.00000 0.00177
|
|
134 17D-1 -0.17827 0.00000 -0.09553 0.00000 0.00283
|
|
135 17D+2 0.00000 0.17450 0.00000 0.06477 0.00000
|
|
136 17D-2 0.00000 -0.00327 0.00000 -0.15884 0.00000
|
|
137 18F 0 0.30780 0.00000 0.13971 0.00000 -0.00034
|
|
138 18F+1 0.00000 -0.01162 0.00000 0.02483 0.00000
|
|
139 18F-1 0.00000 0.00602 0.00000 0.05721 0.00000
|
|
140 18F+2 0.49038 0.00000 0.23631 0.00000 -0.05346
|
|
141 18F-2 -0.13201 0.00000 0.08916 0.00000 0.03029
|
|
142 18F+3 0.00000 -0.08748 0.00000 0.38004 0.00000
|
|
143 18F-3 0.00000 0.26668 0.00000 -0.13913 0.00000
|
|
144 19F 0 0.24299 0.00000 0.14632 0.00000 -0.03972
|
|
145 19F+1 0.00000 -0.09625 0.00000 0.00320 0.00000
|
|
146 19F-1 0.00000 0.23128 0.00000 -0.02202 0.00000
|
|
147 19F+2 0.40249 0.00000 0.21964 0.00000 0.01703
|
|
148 19F-2 -0.04093 0.00000 -0.03362 0.00000 -0.00672
|
|
149 19F+3 0.00000 0.19765 0.00000 0.51582 0.00000
|
|
150 19F-3 0.00000 0.35037 0.00000 -0.04936 0.00000
|
|
151 20F 0 -0.05693 0.00000 -0.01941 0.00000 0.01364
|
|
152 20F+1 0.00000 -0.01496 0.00000 -0.02387 0.00000
|
|
153 20F-1 0.00000 -0.10271 0.00000 -0.01547 0.00000
|
|
154 20F+2 -0.08922 0.00000 -0.03160 0.00000 -0.00509
|
|
155 20F-2 0.02669 0.00000 0.01885 0.00000 0.00102
|
|
156 20F+3 0.00000 -0.00706 0.00000 -0.08302 0.00000
|
|
157 20F-3 0.00000 -0.16369 0.00000 -0.04809 0.00000
|
|
158 21G 0 0.00000 -0.07284 0.00000 -0.03678 0.00000
|
|
159 21G+1 0.01110 0.00000 -0.02430 0.00000 -0.00798
|
|
160 21G-1 0.26504 0.00000 0.13655 0.00000 0.00321
|
|
161 21G+2 0.00000 -0.19381 0.00000 -0.08631 0.00000
|
|
162 21G-2 0.00000 -0.01081 0.00000 0.11834 0.00000
|
|
163 21G+3 0.11913 0.00000 -0.02229 0.00000 -0.02284
|
|
164 21G-3 0.24784 0.00000 0.12621 0.00000 -0.03688
|
|
165 21G+4 0.00000 -0.26826 0.00000 0.07113 0.00000
|
|
166 21G-4 0.00000 0.05192 0.00000 0.20147 0.00000
|
|
167 22G 0 0.00000 0.01103 0.00000 0.03212 0.00000
|
|
168 22G+1 -0.01812 0.00000 -0.00328 0.00000 -0.00260
|
|
169 22G-1 0.03133 0.00000 0.00920 0.00000 -0.00392
|
|
170 22G+2 0.00000 -0.03095 0.00000 -0.00709 0.00000
|
|
171 22G-2 0.00000 0.01019 0.00000 0.01019 0.00000
|
|
172 22G+3 -0.02026 0.00000 0.00180 0.00000 0.00678
|
|
173 22G-3 0.02150 0.00000 0.00569 0.00000 0.00703
|
|
174 22G+4 0.00000 0.05400 0.00000 0.02573 0.00000
|
|
175 22G-4 0.00000 0.00081 0.00000 0.01584 0.00000
|
|
176 23H 0 -0.05488 0.00000 0.00376 0.00000 -0.00756
|
|
177 23H+1 0.00000 0.01923 0.00000 0.00458 0.00000
|
|
178 23H-1 0.00000 -0.07189 0.00000 -0.02985 0.00000
|
|
179 23H+2 -0.09478 0.00000 -0.00911 0.00000 -0.00402
|
|
180 23H-2 0.01510 0.00000 -0.00705 0.00000 0.00036
|
|
181 23H+3 0.00000 -0.01850 0.00000 -0.04444 0.00000
|
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182 23H-3 0.00000 -0.09305 0.00000 -0.01507 0.00000
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183 23H+4 -0.06329 0.00000 0.00502 0.00000 0.01812
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184 23H-4 0.03709 0.00000 -0.00206 0.00000 -0.01338
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185 23H+5 0.00000 -0.01100 0.00000 -0.02011 0.00000
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186 23H-5 0.00000 -0.09674 0.00000 -0.03480 0.00000
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187 3 H 1S 0.00000 0.01653 0.00000 -0.02123 0.00000
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188 2S 0.00000 0.14429 0.00000 0.08547 0.00000
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189 3S 0.00000 -0.62940 0.00000 -0.76299 0.00000
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190 4S 0.00000 -0.35087 0.00000 -0.45233 0.00000
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191 5S 0.00000 0.02947 0.00000 -0.08526 0.00000
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192 6PX 0.00000 0.00350 0.00000 -0.00388 0.00000
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193 6PY 0.00000 -0.00018 0.00000 0.00681 0.00000
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194 6PZ 0.00226 0.00000 0.00264 0.00000 -0.00321
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195 7PX 0.00000 -0.05546 0.00000 -0.00652 0.00000
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196 7PY 0.00000 0.06590 0.00000 -0.01597 0.00000
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197 7PZ 0.01637 0.00000 0.01603 0.00000 -0.00709
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198 8PX 0.00000 0.43697 0.00000 0.39627 0.00000
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199 8PY 0.00000 -0.25367 0.00000 -0.02011 0.00000
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200 8PZ -0.07284 0.00000 -0.05765 0.00000 0.00941
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201 9PX 0.00000 0.20113 0.00000 0.21745 0.00000
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202 9PY 0.00000 -0.21849 0.00000 -0.02167 0.00000
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203 9PZ -0.13687 0.00000 -0.04407 0.00000 -0.01825
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204 10D 0 0.00000 0.01149 0.00000 -0.01532 0.00000
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205 10D+1 -0.00452 0.00000 -0.00595 0.00000 -0.00084
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206 10D-1 0.01410 0.00000 -0.00985 0.00000 0.01985
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207 10D+2 0.00000 0.01553 0.00000 -0.00626 0.00000
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208 10D-2 0.00000 0.01598 0.00000 0.00290 0.00000
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209 11D 0 0.00000 0.04736 0.00000 0.02735 0.00000
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210 11D+1 0.00227 0.00000 0.00654 0.00000 0.00588
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211 11D-1 0.00072 0.00000 -0.00150 0.00000 -0.00517
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212 11D+2 0.00000 -0.06594 0.00000 -0.07314 0.00000
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213 11D-2 0.00000 0.01693 0.00000 0.00079 0.00000
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214 12D 0 0.00000 0.11589 0.00000 0.04074 0.00000
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215 12D+1 0.09623 0.00000 0.03289 0.00000 0.01557
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216 12D-1 -0.05011 0.00000 -0.01372 0.00000 0.00690
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217 12D+2 0.00000 -0.05163 0.00000 -0.09536 0.00000
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218 12D-2 0.00000 0.15745 0.00000 0.02900 0.00000
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219 13F 0 0.02304 0.00000 -0.02840 0.00000 0.01512
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220 13F+1 0.00000 0.00179 0.00000 -0.01513 0.00000
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221 13F-1 0.00000 -0.04552 0.00000 0.06932 0.00000
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222 13F+2 0.02130 0.00000 -0.00753 0.00000 0.00582
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223 13F-2 0.00772 0.00000 0.00392 0.00000 -0.00414
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224 13F+3 0.00000 0.00666 0.00000 -0.02223 0.00000
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225 13F-3 0.00000 -0.02770 0.00000 0.00300 0.00000
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226 14F 0 0.00847 0.00000 0.00899 0.00000 -0.00158
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227 14F+1 0.00000 -0.04085 0.00000 -0.00003 0.00000
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228 14F-1 0.00000 0.02436 0.00000 -0.02065 0.00000
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229 14F+2 -0.02042 0.00000 -0.00620 0.00000 -0.01488
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230 14F-2 0.01753 0.00000 0.00707 0.00000 -0.00536
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231 14F+3 0.00000 -0.00368 0.00000 0.04061 0.00000
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232 14F-3 0.00000 -0.01732 0.00000 -0.00940 0.00000
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233 15G 0 0.00000 -0.01589 0.00000 0.00915 0.00000
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234 15G+1 -0.00327 0.00000 -0.00220 0.00000 -0.00406
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235 15G-1 -0.00243 0.00000 0.00623 0.00000 0.00297
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236 15G+2 0.00000 -0.00031 0.00000 0.03142 0.00000
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237 15G-2 0.00000 0.00992 0.00000 -0.00041 0.00000
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238 15G+3 -0.00490 0.00000 -0.00840 0.00000 -0.01327
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239 15G-3 0.00782 0.00000 0.00252 0.00000 0.00539
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240 15G+4 0.00000 -0.00777 0.00000 -0.00718 0.00000
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241 15G-4 0.00000 0.03038 0.00000 -0.00323 0.00000
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242 4 H 1S 0.00000 0.10739 0.00000 0.13065 0.00000
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243 2S 0.00000 1.49902 0.00000 0.08510 0.00000
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244 3S 0.00000 3.05309 0.00000 4.04719 0.00000
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245 4S 0.00000 0.90822 0.00000 2.52284 0.00000
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246 5S 0.00000 -0.17092 0.00000 0.20480 0.00000
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247 6PX 0.00000 -0.15639 0.00000 -0.05861 0.00000
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248 6PY 0.00000 0.04995 0.00000 0.01887 0.00000
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249 6PZ -0.00015 0.00000 -0.00609 0.00000 0.01653
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250 7PX 0.00000 1.07275 0.00000 0.27341 0.00000
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251 7PY 0.00000 -0.34666 0.00000 0.08857 0.00000
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252 7PZ -0.01951 0.00000 0.13160 0.00000 -0.18913
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253 8PX 0.00000 -0.62657 0.00000 0.56248 0.00000
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254 8PY 0.00000 0.78694 0.00000 -3.94281 0.00000
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255 8PZ -0.63660 0.00000 -2.57318 0.00000 3.47811
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256 9PX 0.00000 0.01923 0.00000 0.80400 0.00000
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257 9PY 0.00000 0.21506 0.00000 -1.45448 0.00000
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258 9PZ -0.28475 0.00000 -0.99683 0.00000 0.98484
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259 10D 0 0.00000 -0.09743 0.00000 0.07796 0.00000
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260 10D+1 0.05881 0.00000 0.03699 0.00000 -0.00947
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261 10D-1 0.02355 0.00000 -0.02988 0.00000 -0.04223
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262 10D+2 0.00000 0.10241 0.00000 -0.02505 0.00000
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263 10D-2 0.00000 -0.08531 0.00000 0.08928 0.00000
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264 11D 0 0.00000 0.27713 0.00000 -0.12411 0.00000
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265 11D+1 -0.23880 0.00000 -0.95617 0.00000 1.30842
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266 11D-1 0.00242 0.00000 0.26886 0.00000 -0.36428
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267 11D+2 0.00000 -0.25664 0.00000 -0.53419 0.00000
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268 11D-2 0.00000 0.41057 0.00000 -1.41321 0.00000
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269 12D 0 0.00000 0.64797 0.00000 -0.09535 0.00000
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270 12D+1 -0.39542 0.00000 -1.45517 0.00000 1.89712
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271 12D-1 -0.09907 0.00000 0.47135 0.00000 -0.55094
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272 12D+2 0.00000 -0.76172 0.00000 -0.96428 0.00000
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273 12D-2 0.00000 0.92847 0.00000 -1.84744 0.00000
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|
274 13F 0 -0.02102 0.00000 -0.08598 0.00000 0.03413
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|
275 13F+1 0.00000 -0.27205 0.00000 0.07258 0.00000
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|
276 13F-1 0.00000 0.13753 0.00000 0.07561 0.00000
|
|
277 13F+2 0.06037 0.00000 0.07596 0.00000 -0.11830
|
|
278 13F-2 0.02754 0.00000 0.00264 0.00000 -0.01490
|
|
279 13F+3 0.00000 0.23361 0.00000 0.08336 0.00000
|
|
280 13F-3 0.00000 -0.23341 0.00000 0.06342 0.00000
|
|
281 14F 0 0.07418 0.00000 0.52610 0.00000 -0.70032
|
|
282 14F+1 0.00000 0.55706 0.00000 0.10051 0.00000
|
|
283 14F-1 0.00000 -0.20806 0.00000 0.26830 0.00000
|
|
284 14F+2 -0.14163 0.00000 -0.55863 0.00000 0.78634
|
|
285 14F-2 -0.06875 0.00000 0.34406 0.00000 -0.50039
|
|
286 14F+3 0.00000 -0.36710 0.00000 -0.81632 0.00000
|
|
287 14F-3 0.00000 0.66723 0.00000 -0.79764 0.00000
|
|
288 15G 0 0.00000 0.04698 0.00000 -0.01667 0.00000
|
|
289 15G+1 -0.00098 0.00000 0.02448 0.00000 -0.12977
|
|
290 15G-1 -0.04597 0.00000 0.00371 0.00000 0.13771
|
|
291 15G+2 0.00000 -0.07366 0.00000 0.07966 0.00000
|
|
292 15G-2 0.00000 0.03702 0.00000 0.09098 0.00000
|
|
293 15G+3 -0.00474 0.00000 -0.01658 0.00000 0.01952
|
|
294 15G-3 0.03995 0.00000 0.08416 0.00000 -0.10438
|
|
295 15G+4 0.00000 0.06904 0.00000 -0.10173 0.00000
|
|
296 15G-4 0.00000 -0.03850 0.00000 -0.12718 0.00000
|
|
297 5 H 1S -0.30366 0.06058 -0.06028 -0.03472 0.00881
|
|
298 2S -1.07076 0.96313 0.51136 0.46251 0.08576
|
|
299 3S -8.61373 1.77469 -1.94502 -1.31601 0.27152
|
|
300 4S -7.46667 -0.53171 -1.26394 -1.55212 0.24688
|
|
301 5S 0.33549 0.03331 -0.23877 -0.08174 -0.01673
|
|
302 6PX -0.09839 0.04468 0.01254 0.00628 0.01975
|
|
303 6PY -0.08742 0.03707 0.00772 0.00851 0.00688
|
|
304 6PZ -0.18406 0.07723 0.01606 0.02057 0.00120
|
|
305 7PX 0.54498 -0.32683 -0.14470 0.00565 -0.20144
|
|
306 7PY 0.44415 -0.24113 -0.21440 -0.15655 -0.03267
|
|
307 7PZ 1.07125 -0.53514 -0.13914 -0.22252 0.03278
|
|
308 8PX 1.37314 0.99287 1.05896 -1.86593 2.91498
|
|
309 8PY 1.96207 -0.34191 3.54933 2.23247 0.10910
|
|
310 8PZ 1.57785 0.64248 -0.40715 1.54450 -1.64587
|
|
311 9PX 1.27334 0.35336 0.57153 -0.53888 0.86099
|
|
312 9PY 1.66186 0.10032 1.22003 0.84902 -0.02555
|
|
313 9PZ 2.03497 0.30338 0.11135 0.94528 -0.50054
|
|
314 10D 0 -0.03621 0.04564 0.02301 0.05383 -0.00006
|
|
315 10D+1 0.02439 0.06556 0.07981 0.03314 -0.00541
|
|
316 10D-1 0.02745 0.04442 0.08344 0.08044 0.01269
|
|
317 10D+2 -0.03190 -0.00727 -0.03818 -0.04502 0.00851
|
|
318 10D-2 -0.00981 0.03135 0.06355 0.01988 -0.02960
|
|
319 11D 0 0.14232 -0.18698 0.69661 -0.42960 0.91079
|
|
320 11D+1 -0.12844 -0.46300 -0.07866 0.47989 -0.65095
|
|
321 11D-1 -0.44118 0.03867 -1.00290 -0.84494 0.18548
|
|
322 11D+2 0.08095 -0.22740 0.34385 0.64929 -0.48718
|
|
323 11D-2 -0.26930 -0.07318 -0.72447 -0.08664 -0.43328
|
|
324 12D 0 0.48874 -0.46366 1.01061 -0.76809 1.28763
|
|
325 12D+1 0.00024 -0.92538 -0.15388 0.63203 -0.99182
|
|
326 12D-1 -0.40156 -0.25059 -1.35240 -1.26379 0.26318
|
|
327 12D+2 0.20011 -0.27947 0.46880 0.96021 -0.72337
|
|
328 12D-2 -0.21904 -0.30834 -1.03965 -0.10170 -0.67503
|
|
329 13F 0 0.11584 -0.03102 0.05606 -0.07143 0.08207
|
|
330 13F+1 0.20877 -0.16236 -0.13197 -0.08255 -0.02371
|
|
331 13F-1 0.17892 -0.11174 -0.10130 -0.08460 -0.00721
|
|
332 13F+2 0.05588 -0.04714 0.00617 0.08269 -0.03503
|
|
333 13F-2 0.20347 -0.17575 -0.06411 -0.06096 -0.00452
|
|
334 13F+3 -0.01442 0.00367 0.06267 0.05200 -0.05240
|
|
335 13F-3 0.04383 0.03084 -0.05676 -0.01841 -0.01629
|
|
336 14F 0 -0.29957 0.05923 -0.67990 0.29057 -0.79070
|
|
337 14F+1 -0.40394 0.53295 -0.18235 -0.10117 0.10322
|
|
338 14F-1 -0.13784 0.19361 0.38605 0.62672 -0.37918
|
|
339 14F+2 -0.15772 0.27824 -0.34809 -0.66825 0.50987
|
|
340 14F-2 -0.08963 0.32538 0.66648 0.18691 0.37753
|
|
341 14F+3 -0.02338 0.01877 -0.31531 -0.24399 0.04655
|
|
342 14F-3 -0.06129 0.11886 0.17754 -0.14122 0.33273
|
|
343 15G 0 0.03390 -0.00715 0.02544 0.00427 0.05103
|
|
344 15G+1 -0.03541 0.01903 0.12890 0.06760 0.05337
|
|
345 15G-1 -0.05918 0.02030 0.02152 -0.07122 0.10743
|
|
346 15G+2 0.00889 -0.00575 0.08912 0.07386 -0.08674
|
|
347 15G-2 -0.09917 0.06346 -0.07330 -0.00733 -0.00405
|
|
348 15G+3 0.06219 -0.01622 0.06816 0.03767 0.02842
|
|
349 15G-3 -0.09338 -0.00138 -0.01810 0.03258 -0.12861
|
|
350 15G+4 0.01465 0.01112 -0.00412 -0.02188 0.02319
|
|
351 15G-4 -0.01869 -0.02583 -0.01214 0.03419 0.03991
|
|
352 6 H 1S 0.30366 0.06058 0.06028 -0.03472 -0.00881
|
|
353 2S 1.07076 0.96313 -0.51136 0.46251 -0.08576
|
|
354 3S 8.61373 1.77469 1.94502 -1.31601 -0.27152
|
|
355 4S 7.46667 -0.53171 1.26394 -1.55212 -0.24688
|
|
356 5S -0.33549 0.03331 0.23877 -0.08174 0.01673
|
|
357 6PX 0.09839 0.04468 -0.01254 0.00628 -0.01975
|
|
358 6PY 0.08742 0.03707 -0.00772 0.00851 -0.00688
|
|
359 6PZ -0.18406 -0.07723 0.01606 -0.02057 0.00120
|
|
360 7PX -0.54498 -0.32683 0.14470 0.00565 0.20144
|
|
361 7PY -0.44415 -0.24113 0.21440 -0.15655 0.03267
|
|
362 7PZ 1.07125 0.53514 -0.13914 0.22252 0.03278
|
|
363 8PX -1.37314 0.99287 -1.05896 -1.86593 -2.91498
|
|
364 8PY -1.96207 -0.34191 -3.54933 2.23247 -0.10910
|
|
365 8PZ 1.57785 -0.64248 -0.40715 -1.54450 -1.64587
|
|
366 9PX -1.27334 0.35336 -0.57153 -0.53888 -0.86099
|
|
367 9PY -1.66186 0.10032 -1.22003 0.84902 0.02555
|
|
368 9PZ 2.03497 -0.30338 0.11135 -0.94528 -0.50054
|
|
369 10D 0 0.03621 0.04564 -0.02301 0.05383 0.00006
|
|
370 10D+1 0.02439 -0.06556 0.07981 -0.03314 -0.00541
|
|
371 10D-1 0.02745 -0.04442 0.08344 -0.08044 0.01269
|
|
372 10D+2 0.03190 -0.00727 0.03818 -0.04502 -0.00851
|
|
373 10D-2 0.00981 0.03135 -0.06355 0.01988 0.02960
|
|
374 11D 0 -0.14232 -0.18698 -0.69661 -0.42960 -0.91079
|
|
375 11D+1 -0.12844 0.46300 -0.07866 -0.47989 -0.65095
|
|
376 11D-1 -0.44118 -0.03867 -1.00290 0.84494 0.18548
|
|
377 11D+2 -0.08095 -0.22740 -0.34385 0.64929 0.48718
|
|
378 11D-2 0.26930 -0.07318 0.72447 -0.08664 0.43328
|
|
379 12D 0 -0.48874 -0.46366 -1.01061 -0.76809 -1.28763
|
|
380 12D+1 0.00024 0.92538 -0.15388 -0.63203 -0.99182
|
|
381 12D-1 -0.40156 0.25059 -1.35240 1.26379 0.26318
|
|
382 12D+2 -0.20011 -0.27947 -0.46880 0.96021 0.72337
|
|
383 12D-2 0.21904 -0.30834 1.03965 -0.10170 0.67503
|
|
384 13F 0 0.11584 0.03102 0.05606 0.07143 0.08207
|
|
385 13F+1 -0.20877 -0.16236 0.13197 -0.08255 0.02371
|
|
386 13F-1 -0.17892 -0.11174 0.10130 -0.08460 0.00721
|
|
387 13F+2 0.05588 0.04714 0.00617 -0.08269 -0.03503
|
|
388 13F-2 0.20347 0.17575 -0.06411 0.06096 -0.00452
|
|
389 13F+3 0.01442 0.00367 -0.06267 0.05200 0.05240
|
|
390 13F-3 -0.04383 0.03084 0.05676 -0.01841 0.01629
|
|
391 14F 0 -0.29957 -0.05923 -0.67990 -0.29057 -0.79070
|
|
392 14F+1 0.40394 0.53295 0.18235 -0.10117 -0.10322
|
|
393 14F-1 0.13784 0.19361 -0.38605 0.62672 0.37918
|
|
394 14F+2 -0.15772 -0.27824 -0.34809 0.66825 0.50987
|
|
395 14F-2 -0.08963 -0.32538 0.66648 -0.18691 0.37753
|
|
396 14F+3 0.02338 0.01877 0.31531 -0.24399 -0.04655
|
|
397 14F-3 0.06129 0.11886 -0.17754 -0.14122 -0.33273
|
|
398 15G 0 -0.03390 -0.00715 -0.02544 0.00427 -0.05103
|
|
399 15G+1 -0.03541 -0.01903 0.12890 -0.06760 0.05337
|
|
400 15G-1 -0.05918 -0.02030 0.02152 0.07122 0.10743
|
|
401 15G+2 -0.00889 -0.00575 -0.08912 0.07386 0.08674
|
|
402 15G-2 0.09917 0.06346 0.07330 -0.00733 0.00405
|
|
403 15G+3 0.06219 0.01622 0.06816 -0.03767 0.02842
|
|
404 15G-3 -0.09338 0.00138 -0.01810 -0.03258 -0.12861
|
|
405 15G+4 -0.01465 0.01112 0.00412 -0.02188 -0.02319
|
|
406 15G-4 0.01869 -0.02583 0.01214 0.03419 -0.03991
|
|
296 297 298 299 300
|
|
V V V V V
|
|
Eigenvalues -- 11.87976 12.56911 12.57632 12.61406 12.62927
|
|
1 1 C 1S 0.00100 0.00000 0.00172 0.00000 0.00438
|
|
2 2S -0.32145 0.00000 -0.02105 0.00000 -0.01630
|
|
3 3S -2.35402 0.00000 -0.13132 0.00000 -0.09677
|
|
4 4S 9.59964 0.00000 0.56414 0.00000 0.25863
|
|
5 5S -7.75892 0.00000 -0.66367 0.00000 0.56838
|
|
6 6S -2.19086 0.00000 -0.22924 0.00000 0.30558
|
|
7 7PX 0.01752 0.00000 0.24204 0.00000 -0.06852
|
|
8 7PY 0.74916 0.00000 -0.00268 0.00000 -0.06457
|
|
9 7PZ 0.00000 0.24597 0.00000 -0.00274 0.00000
|
|
10 8PX -0.03894 0.00000 -0.85329 0.00000 0.26673
|
|
11 8PY -2.26228 0.00000 0.07392 0.00000 0.30867
|
|
12 8PZ 0.00000 -0.83500 0.00000 0.02035 0.00000
|
|
13 9PX -0.16594 0.00000 0.87183 0.00000 -0.09549
|
|
14 9PY 4.59208 0.00000 -0.49743 0.00000 -0.89830
|
|
15 9PZ 0.00000 0.60806 0.00000 0.20949 0.00000
|
|
16 10PX -0.23974 0.00000 0.99130 0.00000 -0.84487
|
|
17 10PY 6.30479 0.00000 0.40031 0.00000 0.19925
|
|
18 10PZ 0.00000 1.08007 0.00000 -0.27299 0.00000
|
|
19 11PX 0.04219 0.00000 0.02504 0.00000 0.03927
|
|
20 11PY 0.29716 0.00000 0.04057 0.00000 -0.01938
|
|
21 11PZ 0.00000 0.03940 0.00000 -0.03388 0.00000
|
|
22 12D 0 -0.10330 0.00000 0.61231 0.00000 -0.12205
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282 14F+1 0.18204 0.00000 0.07347 0.00000 -0.04841
|
|
283 14F-1 -0.19720 0.00000 -0.16051 0.00000 -0.02444
|
|
284 14F+2 0.00000 -0.33085 0.00000 0.02302 0.00000
|
|
285 14F-2 0.00000 0.07360 0.00000 -0.00620 0.00000
|
|
286 14F+3 0.23426 0.00000 0.31731 0.00000 0.06012
|
|
287 14F-3 0.42891 0.00000 0.42130 0.00000 0.03084
|
|
288 15G 0 -0.04080 0.00000 -0.18539 0.00000 0.01942
|
|
289 15G+1 0.00000 -0.05078 0.00000 -0.06019 0.00000
|
|
290 15G-1 0.00000 0.08806 0.00000 -0.03566 0.00000
|
|
291 15G+2 0.00527 0.00000 -0.14086 0.00000 -0.00694
|
|
292 15G-2 -0.00268 0.00000 0.15976 0.00000 -0.01686
|
|
293 15G+3 0.00000 0.10616 0.00000 -0.05244 0.00000
|
|
294 15G-3 0.00000 0.01227 0.00000 0.03541 0.00000
|
|
295 15G+4 0.04614 0.00000 -0.04752 0.00000 0.02206
|
|
296 15G-4 0.03464 0.00000 0.04103 0.00000 0.00269
|
|
297 5 H 1S -0.02464 0.03516 0.02250 0.01252 -0.00116
|
|
298 2S 0.48592 -0.26346 -0.13589 0.03117 0.10706
|
|
299 3S -1.43793 0.18021 0.23886 0.09121 0.03153
|
|
300 4S -1.85179 0.03869 -0.05413 0.08494 -0.14216
|
|
301 5S 0.01957 0.04514 0.04043 -0.00368 -0.03294
|
|
302 6PX 0.00613 0.00453 0.00063 -0.00477 0.00113
|
|
303 6PY 0.00124 -0.00329 0.00033 0.01204 0.00526
|
|
304 6PZ 0.00933 0.00624 0.00886 0.00254 0.00340
|
|
305 7PX -0.06901 -0.02754 0.06701 -0.03224 -0.03608
|
|
306 7PY -0.13876 0.12433 0.06812 -0.01460 -0.02342
|
|
307 7PZ -0.14679 0.06178 -0.01590 -0.04573 -0.03608
|
|
308 8PX 0.42439 0.34533 -0.43278 -0.01174 0.13871
|
|
309 8PY 1.38659 -0.96805 -0.50122 0.07245 0.05485
|
|
310 8PZ 0.84438 -0.12166 0.24256 0.03817 0.00902
|
|
311 9PX 0.30954 -0.02040 -0.08073 0.12383 0.10869
|
|
312 9PY 0.66487 -0.26059 -0.13410 -0.06541 -0.01745
|
|
313 9PZ 0.87317 -0.20241 -0.05192 0.07622 0.07773
|
|
314 10D 0 0.02122 -0.03596 0.02609 0.01629 0.00845
|
|
315 10D+1 0.02296 -0.00998 -0.04578 -0.00722 0.00931
|
|
316 10D-1 0.05882 -0.03284 -0.01416 0.00645 -0.00158
|
|
317 10D+2 0.00191 0.02242 -0.01255 0.00963 0.00659
|
|
318 10D-2 0.02956 -0.00626 -0.01857 -0.00705 0.02345
|
|
319 11D 0 0.01769 -0.00055 -0.17362 0.00487 0.01535
|
|
320 11D+1 -0.09051 -0.08257 0.09517 0.04811 -0.04881
|
|
321 11D-1 -0.38729 0.26949 0.09321 -0.03340 -0.00966
|
|
322 11D+2 0.13889 -0.18691 0.01141 0.03122 -0.01158
|
|
323 11D-2 -0.20804 0.09763 0.12239 0.00952 -0.02359
|
|
324 12D 0 -0.11480 0.03084 -0.31120 -0.05563 0.00953
|
|
325 12D+1 -0.25744 -0.16297 0.14271 -0.03798 -0.11425
|
|
326 12D-1 -0.76018 0.55754 0.21550 -0.06339 -0.02680
|
|
327 12D+2 0.29900 -0.29578 0.02469 -0.01026 -0.03529
|
|
328 12D-2 -0.41354 0.21215 0.21722 -0.04509 -0.06832
|
|
329 13F 0 0.01854 0.05668 -0.32533 0.01559 0.06203
|
|
330 13F+1 -0.00637 -0.06274 0.00388 -0.02793 -0.04873
|
|
331 13F-1 -0.07539 0.07789 0.04650 0.01093 0.01043
|
|
332 13F+2 0.01537 -0.26175 0.10135 0.05853 0.04245
|
|
333 13F-2 -0.06813 0.12550 0.07886 0.00188 -0.01745
|
|
334 13F+3 -0.00397 -0.07586 -0.01176 -0.08637 -0.06381
|
|
335 13F-3 -0.03717 -0.06769 -0.01513 0.00256 -0.02978
|
|
336 14F 0 -0.12550 0.00960 0.37527 -0.00553 -0.06808
|
|
337 14F+1 0.05192 0.12366 0.02306 0.00102 0.06468
|
|
338 14F-1 0.21920 -0.24852 -0.03505 0.02871 -0.00198
|
|
339 14F+2 -0.18657 0.37211 -0.05243 -0.05684 0.00213
|
|
340 14F-2 0.26372 -0.19303 -0.17731 0.01255 0.04353
|
|
341 14F+3 -0.14139 0.16149 0.03417 0.02643 0.02427
|
|
342 14F-3 -0.00079 0.04268 -0.05860 -0.00398 0.02688
|
|
343 15G 0 0.02028 -0.05388 0.07170 -0.00750 -0.00391
|
|
344 15G+1 -0.02674 -0.00538 0.02593 0.04151 -0.00194
|
|
345 15G-1 -0.00186 0.05289 0.04601 -0.00194 -0.00519
|
|
346 15G+2 0.00438 0.08478 0.02022 -0.03890 0.00746
|
|
347 15G-2 -0.00428 -0.09923 -0.05090 -0.02182 0.00209
|
|
348 15G+3 0.02699 -0.09979 -0.10924 -0.02281 -0.02673
|
|
349 15G-3 -0.00051 0.06363 -0.01110 0.06700 0.01740
|
|
350 15G+4 0.00831 0.10642 0.04922 0.05797 0.03223
|
|
351 15G-4 -0.00382 0.09515 0.09197 0.01146 -0.00285
|
|
352 6 H 1S -0.02464 -0.03516 0.02250 -0.01252 -0.00116
|
|
353 2S 0.48592 0.26346 -0.13589 -0.03117 0.10706
|
|
354 3S -1.43793 -0.18021 0.23886 -0.09121 0.03153
|
|
355 4S -1.85179 -0.03869 -0.05413 -0.08494 -0.14216
|
|
356 5S 0.01957 -0.04514 0.04043 0.00368 -0.03294
|
|
357 6PX 0.00613 -0.00453 0.00063 0.00477 0.00113
|
|
358 6PY 0.00124 0.00329 0.00033 -0.01204 0.00526
|
|
359 6PZ -0.00933 0.00624 -0.00886 0.00254 -0.00340
|
|
360 7PX -0.06901 0.02754 0.06701 0.03224 -0.03608
|
|
361 7PY -0.13876 -0.12433 0.06812 0.01460 -0.02342
|
|
362 7PZ 0.14679 0.06178 0.01590 -0.04573 0.03608
|
|
363 8PX 0.42439 -0.34533 -0.43278 0.01174 0.13871
|
|
364 8PY 1.38659 0.96805 -0.50122 -0.07245 0.05485
|
|
365 8PZ -0.84438 -0.12166 -0.24256 0.03817 -0.00902
|
|
366 9PX 0.30954 0.02040 -0.08073 -0.12383 0.10869
|
|
367 9PY 0.66487 0.26059 -0.13410 0.06541 -0.01745
|
|
368 9PZ -0.87317 -0.20241 0.05192 0.07622 -0.07773
|
|
369 10D 0 0.02122 0.03596 0.02609 -0.01629 0.00845
|
|
370 10D+1 -0.02296 -0.00998 0.04578 -0.00722 -0.00931
|
|
371 10D-1 -0.05882 -0.03284 0.01416 0.00645 0.00158
|
|
372 10D+2 0.00191 -0.02242 -0.01255 -0.00963 0.00659
|
|
373 10D-2 0.02956 0.00626 -0.01857 0.00705 0.02345
|
|
374 11D 0 0.01769 0.00055 -0.17362 -0.00487 0.01535
|
|
375 11D+1 0.09051 -0.08257 -0.09517 0.04811 0.04881
|
|
376 11D-1 0.38729 0.26949 -0.09321 -0.03340 0.00966
|
|
377 11D+2 0.13889 0.18691 0.01141 -0.03122 -0.01158
|
|
378 11D-2 -0.20804 -0.09763 0.12239 -0.00952 -0.02359
|
|
379 12D 0 -0.11480 -0.03084 -0.31120 0.05563 0.00953
|
|
380 12D+1 0.25744 -0.16297 -0.14271 -0.03798 0.11425
|
|
381 12D-1 0.76018 0.55754 -0.21550 -0.06339 0.02680
|
|
382 12D+2 0.29900 0.29578 0.02469 0.01026 -0.03529
|
|
383 12D-2 -0.41354 -0.21215 0.21722 0.04509 -0.06832
|
|
384 13F 0 -0.01854 0.05668 0.32533 0.01559 -0.06203
|
|
385 13F+1 -0.00637 0.06274 0.00388 0.02793 -0.04873
|
|
386 13F-1 -0.07539 -0.07789 0.04650 -0.01093 0.01043
|
|
387 13F+2 -0.01537 -0.26175 -0.10135 0.05853 -0.04245
|
|
388 13F-2 0.06813 0.12550 -0.07886 0.00188 0.01745
|
|
389 13F+3 -0.00397 0.07586 -0.01176 0.08637 -0.06381
|
|
390 13F-3 -0.03717 0.06769 -0.01513 -0.00256 -0.02978
|
|
391 14F 0 0.12550 0.00960 -0.37527 -0.00553 0.06808
|
|
392 14F+1 0.05192 -0.12366 0.02306 -0.00102 0.06468
|
|
393 14F-1 0.21920 0.24852 -0.03505 -0.02871 -0.00198
|
|
394 14F+2 0.18657 0.37211 0.05243 -0.05684 -0.00213
|
|
395 14F-2 -0.26372 -0.19303 0.17731 0.01255 -0.04353
|
|
396 14F+3 -0.14139 -0.16149 0.03417 -0.02643 0.02427
|
|
397 14F-3 -0.00079 -0.04268 -0.05860 0.00398 0.02688
|
|
398 15G 0 0.02028 0.05388 0.07170 0.00750 -0.00391
|
|
399 15G+1 0.02674 -0.00538 -0.02593 0.04151 0.00194
|
|
400 15G-1 0.00186 0.05289 -0.04601 -0.00194 0.00519
|
|
401 15G+2 0.00438 -0.08478 0.02022 0.03890 0.00746
|
|
402 15G-2 -0.00428 0.09923 -0.05090 0.02182 0.00209
|
|
403 15G+3 -0.02699 -0.09979 0.10924 -0.02281 0.02673
|
|
404 15G-3 0.00051 0.06363 0.01110 0.06700 -0.01740
|
|
405 15G+4 0.00831 -0.10642 0.04922 -0.05797 0.03223
|
|
406 15G-4 -0.00382 -0.09515 0.09197 -0.01146 -0.00285
|
|
301 302 303 304 305
|
|
V V V V V
|
|
Eigenvalues -- 12.65285 12.67813 12.67989 12.72878 12.73546
|
|
1 1 C 1S 0.00000 0.00000 -0.00291 0.00000 -0.00036
|
|
2 2S 0.00000 0.00000 0.00214 0.00000 0.01610
|
|
3 3S 0.00000 0.00000 -0.00831 0.00000 0.12386
|
|
4 4S 0.00000 0.00000 0.12465 0.00000 -0.56144
|
|
5 5S 0.00000 0.00000 -0.47212 0.00000 0.40904
|
|
6 6S 0.00000 0.00000 -0.21809 0.00000 -0.09510
|
|
7 7PX 0.00000 0.00000 0.01540 0.00000 -0.09940
|
|
8 7PY 0.00000 0.00000 0.06686 0.00000 0.00283
|
|
9 7PZ -0.01159 -0.02818 0.00000 0.16618 0.00000
|
|
10 8PX 0.00000 0.00000 -0.08959 0.00000 0.38526
|
|
11 8PY 0.00000 0.00000 -0.31210 0.00000 -0.02432
|
|
12 8PZ 0.05148 0.11841 0.00000 -0.61900 0.00000
|
|
13 9PX 0.00000 0.00000 0.25264 0.00000 -0.04980
|
|
14 9PY 0.00000 0.00000 0.99386 0.00000 0.05377
|
|
15 9PZ -0.11545 -0.55351 0.00000 -0.06135 0.00000
|
|
16 10PX 0.00000 0.00000 0.49346 0.00000 0.80861
|
|
17 10PY 0.00000 0.00000 0.14060 0.00000 0.01453
|
|
18 10PZ -0.24549 -0.27113 0.00000 -0.31692 0.00000
|
|
19 11PX 0.00000 0.00000 -0.00882 0.00000 -0.03021
|
|
20 11PY 0.00000 0.00000 0.02916 0.00000 0.00705
|
|
21 11PZ -0.00470 0.01522 0.00000 -0.01868 0.00000
|
|
22 12D 0 0.00000 0.00000 0.03387 0.00000 -0.33914
|
|
23 12D+1 -0.01697 -0.00712 0.00000 0.46752 0.00000
|
|
24 12D-1 0.04592 -0.00699 0.00000 -0.04755 0.00000
|
|
25 12D+2 0.00000 0.00000 -0.01360 0.00000 0.24146
|
|
26 12D-2 0.00000 0.00000 -0.00034 0.00000 0.13788
|
|
27 13D 0 0.00000 0.00000 -0.07768 0.00000 0.43777
|
|
28 13D+1 0.02830 0.02734 0.00000 -0.65475 0.00000
|
|
29 13D-1 -0.05196 -0.01151 0.00000 -0.01406 0.00000
|
|
30 13D+2 0.00000 0.00000 -0.01334 0.00000 -0.33558
|
|
31 13D-2 0.00000 0.00000 -0.01955 0.00000 -0.10436
|
|
32 14D 0 0.00000 0.00000 0.17551 0.00000 1.18034
|
|
33 14D+1 -0.06961 -0.32162 0.00000 -1.07107 0.00000
|
|
34 14D-1 -0.15440 -0.03397 0.00000 -0.34584 0.00000
|
|
35 14D+2 0.00000 0.00000 0.31300 0.00000 -0.51075
|
|
36 14D-2 0.00000 0.00000 -0.13062 0.00000 -0.21034
|
|
37 15D 0 0.00000 0.00000 -0.02575 0.00000 0.41581
|
|
38 15D+1 -0.16175 0.03568 0.00000 -0.38017 0.00000
|
|
39 15D-1 0.04575 -0.00958 0.00000 -0.03542 0.00000
|
|
40 15D+2 0.00000 0.00000 0.02106 0.00000 -0.19107
|
|
41 15D-2 0.00000 0.00000 -0.06708 0.00000 -0.27357
|
|
42 16F 0 -0.01964 -0.02586 0.00000 0.02852 0.00000
|
|
43 16F+1 0.00000 0.00000 -0.04774 0.00000 -0.01976
|
|
44 16F-1 0.00000 0.00000 0.05351 0.00000 -0.09890
|
|
45 16F+2 -0.02249 -0.00900 0.00000 0.06138 0.00000
|
|
46 16F-2 0.00989 -0.02716 0.00000 0.11889 0.00000
|
|
47 16F+3 0.00000 0.00000 -0.06617 0.00000 -0.08702
|
|
48 16F-3 0.00000 0.00000 -0.01292 0.00000 0.02575
|
|
49 17F 0 -0.04495 0.05887 0.00000 -0.03514 0.00000
|
|
50 17F+1 0.00000 0.00000 0.12794 0.00000 0.03869
|
|
51 17F-1 0.00000 0.00000 -0.15290 0.00000 0.26960
|
|
52 17F+2 0.12396 -0.05756 0.00000 -0.13018 0.00000
|
|
53 17F-2 -0.04930 0.02964 0.00000 -0.40756 0.00000
|
|
54 17F+3 0.00000 0.00000 0.19116 0.00000 0.25985
|
|
55 17F-3 0.00000 0.00000 0.08936 0.00000 -0.11842
|
|
56 18F 0 0.22269 -0.02654 0.00000 0.18480 0.00000
|
|
57 18F+1 0.00000 0.00000 0.00898 0.00000 0.04639
|
|
58 18F-1 0.00000 0.00000 0.00166 0.00000 0.09160
|
|
59 18F+2 -0.05070 0.20032 0.00000 0.01130 0.00000
|
|
60 18F-2 -0.04310 -0.09104 0.00000 -0.04636 0.00000
|
|
61 18F+3 0.00000 0.00000 0.00209 0.00000 -0.18169
|
|
62 18F-3 0.00000 0.00000 -0.02921 0.00000 -0.07011
|
|
63 19G 0 0.00000 0.00000 -0.00127 0.00000 -0.06371
|
|
64 19G+1 -0.00249 -0.00799 0.00000 0.02965 0.00000
|
|
65 19G-1 0.06004 -0.00052 0.00000 -0.08315 0.00000
|
|
66 19G+2 0.00000 0.00000 0.03262 0.00000 -0.04768
|
|
67 19G-2 0.00000 0.00000 0.00179 0.00000 0.03911
|
|
68 19G+3 0.01621 0.00932 0.00000 0.07907 0.00000
|
|
69 19G-3 -0.04805 0.02604 0.00000 -0.05870 0.00000
|
|
70 19G+4 0.00000 0.00000 -0.00834 0.00000 0.03116
|
|
71 19G-4 0.00000 0.00000 -0.05393 0.00000 0.11995
|
|
72 20G 0 0.00000 0.00000 -0.03431 0.00000 0.30708
|
|
73 20G+1 0.01832 0.00866 0.00000 0.08241 0.00000
|
|
74 20G-1 -0.12738 -0.01464 0.00000 0.16097 0.00000
|
|
75 20G+2 0.00000 0.00000 -0.00588 0.00000 0.03252
|
|
76 20G-2 0.00000 0.00000 0.04880 0.00000 -0.03509
|
|
77 20G+3 0.01159 -0.03791 0.00000 -0.16959 0.00000
|
|
78 20G-3 0.07879 -0.09098 0.00000 0.04572 0.00000
|
|
79 20G+4 0.00000 0.00000 -0.11559 0.00000 -0.12153
|
|
80 20G-4 0.00000 0.00000 0.03682 0.00000 -0.13741
|
|
81 21H 0 0.05789 -0.02133 0.00000 0.08226 0.00000
|
|
82 21H+1 0.00000 0.00000 -0.01812 0.00000 0.11034
|
|
83 21H-1 0.00000 0.00000 0.02235 0.00000 0.05194
|
|
84 21H+2 0.03606 -0.03348 0.00000 -0.02520 0.00000
|
|
85 21H-2 -0.01428 -0.00765 0.00000 -0.02236 0.00000
|
|
86 21H+3 0.00000 0.00000 -0.00983 0.00000 -0.05423
|
|
87 21H-3 0.00000 0.00000 0.01377 0.00000 0.00667
|
|
88 21H+4 -0.06745 0.01850 0.00000 0.04521 0.00000
|
|
89 21H-4 -0.01768 -0.00825 0.00000 -0.02220 0.00000
|
|
90 21H+5 0.00000 0.00000 0.03537 0.00000 0.01400
|
|
91 21H-5 0.00000 0.00000 0.01907 0.00000 -0.02072
|
|
92 2 S 1S 0.00000 0.00000 0.00024 0.00000 0.00059
|
|
93 2S 0.00000 0.00000 0.00125 0.00000 -0.00102
|
|
94 3S 0.00000 0.00000 0.00710 0.00000 0.01455
|
|
95 4S 0.00000 0.00000 0.06488 0.00000 0.04998
|
|
96 5S 0.00000 0.00000 -0.35285 0.00000 -0.01430
|
|
97 6S 0.00000 0.00000 0.43704 0.00000 -0.09214
|
|
98 7S 0.00000 0.00000 0.42530 0.00000 -0.03623
|
|
99 8PX 0.00000 0.00000 0.00195 0.00000 0.00509
|
|
100 8PY 0.00000 0.00000 0.00963 0.00000 0.00442
|
|
101 8PZ 0.00071 0.00371 0.00000 -0.00578 0.00000
|
|
102 9PX 0.00000 0.00000 0.00295 0.00000 0.00146
|
|
103 9PY 0.00000 0.00000 -0.00184 0.00000 0.00138
|
|
104 9PZ -0.00001 0.00111 0.00000 -0.00076 0.00000
|
|
105 10PX 0.00000 0.00000 0.02212 0.00000 -0.01332
|
|
106 10PY 0.00000 0.00000 -0.08557 0.00000 -0.01725
|
|
107 10PZ -0.00324 -0.01430 0.00000 0.02817 0.00000
|
|
108 11PX 0.00000 0.00000 -0.03140 0.00000 0.04691
|
|
109 11PY 0.00000 0.00000 0.04161 0.00000 0.03779
|
|
110 11PZ -0.01042 0.00282 0.00000 -0.02689 0.00000
|
|
111 12PX 0.00000 0.00000 -0.15850 0.00000 -0.42506
|
|
112 12PY 0.00000 0.00000 0.64869 0.00000 -0.04261
|
|
113 12PZ 0.09114 0.11431 0.00000 0.01786 0.00000
|
|
114 13PX 0.00000 0.00000 -0.00760 0.00000 -0.03253
|
|
115 13PY 0.00000 0.00000 0.08788 0.00000 -0.01744
|
|
116 13PZ 0.00738 0.00143 0.00000 0.01132 0.00000
|
|
117 14D 0 0.00000 0.00000 -0.14874 0.00000 -0.00266
|
|
118 14D+1 0.02027 -0.03570 0.00000 0.11524 0.00000
|
|
119 14D-1 0.08909 0.11748 0.00000 -0.00414 0.00000
|
|
120 14D+2 0.00000 0.00000 -0.42842 0.00000 -0.01441
|
|
121 14D-2 0.00000 0.00000 -0.13741 0.00000 -0.40435
|
|
122 15D 0 0.00000 0.00000 -0.09480 0.00000 0.09102
|
|
123 15D+1 -0.02107 -0.01352 0.00000 -0.00653 0.00000
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376 11D-1 0.00369 0.01268 0.01573 0.13180 0.05072
|
|
377 11D+2 -0.02948 0.01099 0.01151 0.03215 -0.05106
|
|
378 11D-2 0.04283 -0.01546 0.00723 -0.02158 -0.10383
|
|
379 12D 0 -0.00555 -0.05172 -0.02565 -0.28508 0.29183
|
|
380 12D+1 0.01960 0.03485 -0.05189 0.02336 0.18120
|
|
381 12D-1 -0.01052 0.02291 0.05909 0.16429 -0.05254
|
|
382 12D+2 -0.03149 0.00015 0.04764 0.10697 -0.07680
|
|
383 12D-2 0.08615 -0.03213 0.01815 0.08946 -0.23529
|
|
384 13F 0 -0.00399 -0.01179 0.01867 0.06413 -0.07606
|
|
385 13F+1 -0.07680 0.01297 0.03589 -0.08627 -0.09811
|
|
386 13F-1 0.01780 -0.01560 -0.02170 -0.10519 0.08330
|
|
387 13F+2 -0.19427 0.09495 0.04941 -0.01644 -0.06419
|
|
388 13F-2 -0.01563 -0.00730 -0.00079 0.00858 0.10328
|
|
389 13F+3 -0.29786 0.07903 0.05632 0.09300 -0.08028
|
|
390 13F-3 -0.07957 0.06538 0.02982 0.07920 -0.11205
|
|
391 14F 0 0.02740 -0.00508 -0.02092 -0.11737 0.15803
|
|
392 14F+1 0.05227 -0.01633 -0.04387 0.10981 0.05900
|
|
393 14F-1 0.00216 0.01995 0.02934 0.16654 -0.11344
|
|
394 14F+2 0.06277 -0.03000 0.00344 0.05984 -0.02173
|
|
395 14F-2 0.03285 -0.00399 0.00859 -0.01555 -0.15654
|
|
396 14F+3 0.17776 -0.04991 -0.02940 -0.06260 0.01714
|
|
397 14F-3 0.02654 -0.02964 -0.02548 -0.07003 0.13389
|
|
398 15G 0 -0.02801 -0.00974 -0.00096 -0.05613 0.01004
|
|
399 15G+1 -0.13574 0.04812 0.00382 0.03144 -0.00369
|
|
400 15G-1 0.10356 -0.08393 0.00247 -0.08123 0.02940
|
|
401 15G+2 -0.21682 0.13569 -0.01017 0.11523 0.07589
|
|
402 15G-2 -0.05532 -0.04475 0.00765 -0.17175 -0.03870
|
|
403 15G+3 -0.04419 0.14462 -0.04048 0.25284 0.16748
|
|
404 15G-3 -0.18273 0.05318 0.00950 0.01657 0.11666
|
|
405 15G+4 0.21812 0.01149 -0.02926 0.18843 0.02598
|
|
406 15G-4 0.05691 0.06822 -0.02442 0.16368 0.31531
|
|
306 307 308 309 310
|
|
V V V V V
|
|
Eigenvalues -- 12.74827 12.75445 12.76334 12.77778 12.80132
|
|
1 1 C 1S 0.00000 0.00000 0.00104 0.00000 -0.00749
|
|
2 2S 0.00000 0.00000 -0.00282 0.00000 -0.03545
|
|
3 3S 0.00000 0.00000 -0.01663 0.00000 -0.31744
|
|
4 4S 0.00000 0.00000 -0.18153 0.00000 0.44950
|
|
5 5S 0.00000 0.00000 1.06781 0.00000 3.81627
|
|
6 6S 0.00000 0.00000 0.30569 0.00000 0.26120
|
|
7 7PX 0.00000 0.00000 0.03188 0.00000 0.05036
|
|
8 7PY 0.00000 0.00000 -0.00907 0.00000 -0.01068
|
|
9 7PZ -0.05816 -0.03648 0.00000 -0.00346 0.00000
|
|
10 8PX 0.00000 0.00000 -0.21753 0.00000 -0.16732
|
|
11 8PY 0.00000 0.00000 0.02758 0.00000 -0.21599
|
|
12 8PZ 0.29568 0.14791 0.00000 0.08142 0.00000
|
|
13 9PX 0.00000 0.00000 0.38804 0.00000 -0.15976
|
|
14 9PY 0.00000 0.00000 0.06173 0.00000 2.14448
|
|
15 9PZ -0.31289 -0.17116 0.00000 -0.12721 0.00000
|
|
16 10PX 0.00000 0.00000 0.09903 0.00000 0.30320
|
|
17 10PY 0.00000 0.00000 -0.06361 0.00000 0.32855
|
|
18 10PZ 0.19175 0.06221 0.00000 0.04209 0.00000
|
|
19 11PX 0.00000 0.00000 0.04600 0.00000 -0.04640
|
|
20 11PY 0.00000 0.00000 -0.00150 0.00000 0.07970
|
|
21 11PZ -0.02494 -0.00351 0.00000 -0.01208 0.00000
|
|
22 12D 0 0.00000 0.00000 0.05751 0.00000 -0.04117
|
|
23 12D+1 -0.24398 -0.10783 0.00000 0.08942 0.00000
|
|
24 12D-1 -0.03682 0.00471 0.00000 -0.25763 0.00000
|
|
25 12D+2 0.00000 0.00000 -0.04254 0.00000 -0.20375
|
|
26 12D-2 0.00000 0.00000 0.21216 0.00000 -0.05493
|
|
27 13D 0 0.00000 0.00000 -0.09854 0.00000 0.06310
|
|
28 13D+1 0.34178 0.14891 0.00000 -0.06719 0.00000
|
|
29 13D-1 0.08930 0.01174 0.00000 0.31843 0.00000
|
|
30 13D+2 0.00000 0.00000 0.08085 0.00000 0.32742
|
|
31 13D-2 0.00000 0.00000 -0.25413 0.00000 0.07300
|
|
32 14D 0 0.00000 0.00000 -0.50532 0.00000 -0.23860
|
|
33 14D+1 0.86553 0.19578 0.00000 0.08091 0.00000
|
|
34 14D-1 -0.08112 -0.03101 0.00000 0.49158 0.00000
|
|
35 14D+2 0.00000 0.00000 0.46027 0.00000 -0.20531
|
|
36 14D-2 0.00000 0.00000 -0.28415 0.00000 -0.12383
|
|
37 15D 0 0.00000 0.00000 0.03190 0.00000 0.10344
|
|
38 15D+1 -0.01371 0.06461 0.00000 -0.07690 0.00000
|
|
39 15D-1 -0.11261 -0.00047 0.00000 -0.01464 0.00000
|
|
40 15D+2 0.00000 0.00000 0.02105 0.00000 0.05406
|
|
41 15D-2 0.00000 0.00000 -0.00404 0.00000 -0.14081
|
|
42 16F 0 0.00610 -0.15895 0.00000 0.09266 0.00000
|
|
43 16F+1 0.00000 0.00000 -0.03194 0.00000 0.01502
|
|
44 16F-1 0.00000 0.00000 0.10659 0.00000 0.04945
|
|
45 16F+2 -0.02291 0.11237 0.00000 0.11465 0.00000
|
|
46 16F-2 -0.12944 -0.01145 0.00000 -0.08640 0.00000
|
|
47 16F+3 0.00000 0.00000 -0.05445 0.00000 0.02103
|
|
48 16F-3 0.00000 0.00000 -0.12300 0.00000 0.05864
|
|
49 17F 0 -0.06614 0.55809 0.00000 -0.30273 0.00000
|
|
50 17F+1 0.00000 0.00000 0.14591 0.00000 0.02181
|
|
51 17F-1 0.00000 0.00000 -0.38953 0.00000 0.04237
|
|
52 17F+2 0.02982 -0.40265 0.00000 -0.35750 0.00000
|
|
53 17F-2 0.37989 0.02380 0.00000 0.35678 0.00000
|
|
54 17F+3 0.00000 0.00000 0.20294 0.00000 -0.09332
|
|
55 17F-3 0.00000 0.00000 0.40967 0.00000 0.07001
|
|
56 18F 0 -0.04704 0.42069 0.00000 -0.16958 0.00000
|
|
57 18F+1 0.00000 0.00000 0.17486 0.00000 0.41384
|
|
58 18F-1 0.00000 0.00000 -0.02964 0.00000 0.17430
|
|
59 18F+2 -0.06409 -0.35626 0.00000 -0.18000 0.00000
|
|
60 18F-2 0.01422 -0.05328 0.00000 0.10784 0.00000
|
|
61 18F+3 0.00000 0.00000 0.07559 0.00000 -0.21115
|
|
62 18F-3 0.00000 0.00000 0.06457 0.00000 0.05034
|
|
63 19G 0 0.00000 0.00000 -0.01241 0.00000 0.02063
|
|
64 19G+1 -0.01293 -0.01338 0.00000 -0.01734 0.00000
|
|
65 19G-1 0.07440 0.04278 0.00000 0.02730 0.00000
|
|
66 19G+2 0.00000 0.00000 0.01683 0.00000 0.02786
|
|
67 19G-2 0.00000 0.00000 -0.01545 0.00000 0.02421
|
|
68 19G+3 -0.06142 -0.02543 0.00000 0.03551 0.00000
|
|
69 19G-3 0.06863 -0.00609 0.00000 0.02162 0.00000
|
|
70 19G+4 0.00000 0.00000 0.01615 0.00000 0.03644
|
|
71 19G-4 0.00000 0.00000 -0.07576 0.00000 -0.00443
|
|
72 20G 0 0.00000 0.00000 0.03625 0.00000 -0.16863
|
|
73 20G+1 -0.14508 -0.04071 0.00000 -0.15351 0.00000
|
|
74 20G-1 -0.14858 0.19379 0.00000 -0.05804 0.00000
|
|
75 20G+2 0.00000 0.00000 0.24687 0.00000 -0.22062
|
|
76 20G-2 0.00000 0.00000 0.06478 0.00000 0.24042
|
|
77 20G+3 0.13923 0.12476 0.00000 -0.32395 0.00000
|
|
78 20G-3 -0.04123 -0.26568 0.00000 -0.05802 0.00000
|
|
79 20G+4 0.00000 0.00000 -0.17974 0.00000 -0.22722
|
|
80 20G-4 0.00000 0.00000 0.07610 0.00000 -0.10058
|
|
81 21H 0 -0.09040 -0.00083 0.00000 -0.03319 0.00000
|
|
82 21H+1 0.00000 0.00000 -0.08195 0.00000 -0.02133
|
|
83 21H-1 0.00000 0.00000 -0.09966 0.00000 -0.04455
|
|
84 21H+2 0.07441 0.02880 0.00000 0.02712 0.00000
|
|
85 21H-2 -0.00157 0.00365 0.00000 0.00483 0.00000
|
|
86 21H+3 0.00000 0.00000 0.05560 0.00000 -0.05349
|
|
87 21H-3 0.00000 0.00000 0.02479 0.00000 -0.05591
|
|
88 21H+4 -0.04103 -0.03760 0.00000 -0.03367 0.00000
|
|
89 21H-4 0.06715 0.00466 0.00000 0.05597 0.00000
|
|
90 21H+5 0.00000 0.00000 -0.00228 0.00000 0.07432
|
|
91 21H-5 0.00000 0.00000 0.04621 0.00000 -0.05155
|
|
92 2 S 1S 0.00000 0.00000 -0.00024 0.00000 -0.00122
|
|
93 2S 0.00000 0.00000 -0.00073 0.00000 0.00139
|
|
94 3S 0.00000 0.00000 -0.00351 0.00000 -0.02611
|
|
95 4S 0.00000 0.00000 -0.00607 0.00000 -0.07328
|
|
96 5S 0.00000 0.00000 -0.07350 0.00000 -0.03953
|
|
97 6S 0.00000 0.00000 0.25293 0.00000 0.25470
|
|
98 7S 0.00000 0.00000 -0.02588 0.00000 0.17249
|
|
99 8PX 0.00000 0.00000 0.00055 0.00000 -0.00147
|
|
100 8PY 0.00000 0.00000 0.00152 0.00000 0.00493
|
|
101 8PZ 0.00544 0.00153 0.00000 0.00168 0.00000
|
|
102 9PX 0.00000 0.00000 -0.00205 0.00000 -0.00395
|
|
103 9PY 0.00000 0.00000 0.00354 0.00000 0.00016
|
|
104 9PZ 0.00082 0.00068 0.00000 0.00038 0.00000
|
|
105 10PX 0.00000 0.00000 -0.02996 0.00000 -0.03209
|
|
106 10PY 0.00000 0.00000 0.01438 0.00000 -0.04568
|
|
107 10PZ -0.03386 -0.00533 0.00000 -0.01320 0.00000
|
|
108 11PX 0.00000 0.00000 0.05119 0.00000 0.11149
|
|
109 11PY 0.00000 0.00000 0.00793 0.00000 0.08984
|
|
110 11PZ 0.09279 0.01150 0.00000 0.05332 0.00000
|
|
111 12PX 0.00000 0.00000 0.37097 0.00000 -0.00365
|
|
112 12PY 0.00000 0.00000 -0.22643 0.00000 -0.15303
|
|
113 12PZ -0.17186 -0.01900 0.00000 -0.13450 0.00000
|
|
114 13PX 0.00000 0.00000 -0.00639 0.00000 -0.03027
|
|
115 13PY 0.00000 0.00000 -0.02780 0.00000 0.01602
|
|
116 13PZ 0.00643 -0.00037 0.00000 -0.01102 0.00000
|
|
117 14D 0 0.00000 0.00000 -0.02129 0.00000 -0.04700
|
|
118 14D+1 0.02826 -0.01780 0.00000 0.00831 0.00000
|
|
119 14D-1 -0.12945 -0.01864 0.00000 -0.17383 0.00000
|
|
120 14D+2 0.00000 0.00000 0.19366 0.00000 0.08328
|
|
121 14D-2 0.00000 0.00000 -0.01679 0.00000 -0.42164
|
|
122 15D 0 0.00000 0.00000 0.02012 0.00000 -0.05982
|
|
123 15D+1 -0.03562 0.00656 0.00000 -0.03400 0.00000
|
|
124 15D-1 0.12407 0.01202 0.00000 -0.03711 0.00000
|
|
125 15D+2 0.00000 0.00000 0.13067 0.00000 -0.06939
|
|
126 15D-2 0.00000 0.00000 -0.03226 0.00000 -0.03284
|
|
127 16D 0 0.00000 0.00000 -0.03814 0.00000 0.01056
|
|
128 16D+1 0.01875 -0.00819 0.00000 0.03145 0.00000
|
|
129 16D-1 -0.05785 -0.00574 0.00000 0.03837 0.00000
|
|
130 16D+2 0.00000 0.00000 -0.03683 0.00000 0.04695
|
|
131 16D-2 0.00000 0.00000 0.00794 0.00000 0.02445
|
|
132 17D 0 0.00000 0.00000 0.02209 0.00000 0.00364
|
|
133 17D+1 -0.00680 0.00547 0.00000 -0.01497 0.00000
|
|
134 17D-1 0.02589 0.00094 0.00000 -0.02182 0.00000
|
|
135 17D+2 0.00000 0.00000 0.01017 0.00000 -0.02299
|
|
136 17D-2 0.00000 0.00000 0.00487 0.00000 -0.00873
|
|
137 18F 0 0.05963 0.00113 0.00000 0.05584 0.00000
|
|
138 18F+1 0.00000 0.00000 -0.03663 0.00000 0.00540
|
|
139 18F-1 0.00000 0.00000 0.00911 0.00000 0.02050
|
|
140 18F+2 0.10386 0.00568 0.00000 0.08165 0.00000
|
|
141 18F-2 0.06789 -0.02177 0.00000 -0.02921 0.00000
|
|
142 18F+3 0.00000 0.00000 0.05115 0.00000 0.22163
|
|
143 18F-3 0.00000 0.00000 -0.03391 0.00000 -0.14337
|
|
144 19F 0 -0.01813 -0.01326 0.00000 -0.00981 0.00000
|
|
145 19F+1 0.00000 0.00000 -0.00444 0.00000 0.04790
|
|
146 19F-1 0.00000 0.00000 0.07468 0.00000 -0.10116
|
|
147 19F+2 -0.04487 -0.02296 0.00000 -0.00733 0.00000
|
|
148 19F-2 0.04929 0.01325 0.00000 -0.12379 0.00000
|
|
149 19F+3 0.00000 0.00000 0.10902 0.00000 0.02822
|
|
150 19F-3 0.00000 0.00000 -0.04125 0.00000 -0.11812
|
|
151 20F 0 -0.00119 0.00476 0.00000 0.00097 0.00000
|
|
152 20F+1 0.00000 0.00000 -0.01195 0.00000 -0.03109
|
|
153 20F-1 0.00000 0.00000 -0.02349 0.00000 0.03081
|
|
154 20F+2 -0.00345 0.00607 0.00000 -0.00043 0.00000
|
|
155 20F-2 -0.02569 -0.00330 0.00000 0.05480 0.00000
|
|
156 20F+3 0.00000 0.00000 -0.02858 0.00000 -0.00868
|
|
157 20F-3 0.00000 0.00000 0.01512 0.00000 0.02323
|
|
158 21G 0 0.00000 0.00000 -0.04490 0.00000 0.00177
|
|
159 21G+1 -0.00193 -0.00885 0.00000 0.00814 0.00000
|
|
160 21G-1 -0.02328 0.00212 0.00000 0.06771 0.00000
|
|
161 21G+2 0.00000 0.00000 -0.03113 0.00000 0.07912
|
|
162 21G-2 0.00000 0.00000 -0.01589 0.00000 0.01469
|
|
163 21G+3 0.02194 -0.02009 0.00000 0.03928 0.00000
|
|
164 21G-3 0.13023 -0.01711 0.00000 -0.03722 0.00000
|
|
165 21G+4 0.00000 0.00000 0.12576 0.00000 0.14337
|
|
166 21G-4 0.00000 0.00000 0.00376 0.00000 0.02138
|
|
167 22G 0 0.00000 0.00000 0.01489 0.00000 0.03149
|
|
168 22G+1 0.01554 0.00219 0.00000 0.00199 0.00000
|
|
169 22G-1 0.00462 -0.00707 0.00000 -0.02949 0.00000
|
|
170 22G+2 0.00000 0.00000 -0.02729 0.00000 -0.01828
|
|
171 22G-2 0.00000 0.00000 0.01846 0.00000 0.00428
|
|
172 22G+3 -0.02417 -0.00339 0.00000 0.01464 0.00000
|
|
173 22G-3 -0.10424 0.00914 0.00000 0.04370 0.00000
|
|
174 22G+4 0.00000 0.00000 -0.04172 0.00000 -0.03328
|
|
175 22G-4 0.00000 0.00000 -0.01400 0.00000 0.00242
|
|
176 23H 0 -0.00587 0.00180 0.00000 0.00383 0.00000
|
|
177 23H+1 0.00000 0.00000 0.02054 0.00000 0.00689
|
|
178 23H-1 0.00000 0.00000 -0.03623 0.00000 0.03544
|
|
179 23H+2 0.02482 -0.00203 0.00000 -0.02182 0.00000
|
|
180 23H-2 0.02244 -0.00691 0.00000 0.01736 0.00000
|
|
181 23H+3 0.00000 0.00000 -0.01921 0.00000 -0.03208
|
|
182 23H-3 0.00000 0.00000 -0.01357 0.00000 0.02637
|
|
183 23H+4 -0.02217 0.00339 0.00000 -0.00266 0.00000
|
|
184 23H-4 -0.05493 -0.00048 0.00000 0.08971 0.00000
|
|
185 23H+5 0.00000 0.00000 -0.02532 0.00000 -0.03297
|
|
186 23H-5 0.00000 0.00000 0.02260 0.00000 0.03687
|
|
187 3 H 1S 0.00000 0.00000 -0.01234 0.00000 -0.03857
|
|
188 2S 0.00000 0.00000 0.04149 0.00000 0.07219
|
|
189 3S 0.00000 0.00000 -0.35950 0.00000 -0.24437
|
|
190 4S 0.00000 0.00000 -0.25305 0.00000 -0.25178
|
|
191 5S 0.00000 0.00000 -0.00024 0.00000 0.03582
|
|
192 6PX 0.00000 0.00000 0.00421 0.00000 0.00259
|
|
193 6PY 0.00000 0.00000 0.00440 0.00000 -0.01039
|
|
194 6PZ 0.00348 -0.00149 0.00000 -0.00050 0.00000
|
|
195 7PX 0.00000 0.00000 -0.00537 0.00000 -0.01183
|
|
196 7PY 0.00000 0.00000 -0.00553 0.00000 -0.01957
|
|
197 7PZ -0.00300 -0.00333 0.00000 0.00061 0.00000
|
|
198 8PX 0.00000 0.00000 0.13172 0.00000 0.05891
|
|
199 8PY 0.00000 0.00000 -0.02243 0.00000 0.05065
|
|
200 8PZ 0.02291 0.00947 0.00000 -0.01460 0.00000
|
|
201 9PX 0.00000 0.00000 0.11607 0.00000 0.14632
|
|
202 9PY 0.00000 0.00000 -0.02676 0.00000 0.13837
|
|
203 9PZ -0.00460 0.00419 0.00000 -0.02208 0.00000
|
|
204 10D 0 0.00000 0.00000 0.05650 0.00000 0.06293
|
|
205 10D+1 0.00439 -0.01656 0.00000 -0.02207 0.00000
|
|
206 10D-1 0.16786 -0.01452 0.00000 -0.09873 0.00000
|
|
207 10D+2 0.00000 0.00000 -0.00509 0.00000 0.00440
|
|
208 10D-2 0.00000 0.00000 -0.05812 0.00000 -0.00003
|
|
209 11D 0 0.00000 0.00000 -0.02096 0.00000 -0.03037
|
|
210 11D+1 -0.01018 0.01084 0.00000 0.01221 0.00000
|
|
211 11D-1 -0.08756 0.00510 0.00000 0.04831 0.00000
|
|
212 11D+2 0.00000 0.00000 -0.00998 0.00000 0.00467
|
|
213 11D-2 0.00000 0.00000 0.03995 0.00000 0.01150
|
|
214 12D 0 0.00000 0.00000 -0.02174 0.00000 -0.04451
|
|
215 12D+1 -0.02404 -0.00717 0.00000 0.01841 0.00000
|
|
216 12D-1 -0.06874 0.01974 0.00000 0.04645 0.00000
|
|
217 12D+2 0.00000 0.00000 -0.04562 0.00000 -0.09003
|
|
218 12D-2 0.00000 0.00000 0.01612 0.00000 -0.05383
|
|
219 13F 0 0.04159 -0.08049 0.00000 -0.04701 0.00000
|
|
220 13F+1 0.00000 0.00000 -0.25561 0.00000 -0.29667
|
|
221 13F-1 0.00000 0.00000 -0.11527 0.00000 -0.11757
|
|
222 13F+2 -0.12295 -0.01527 0.00000 0.09382 0.00000
|
|
223 13F-2 -0.72433 0.07192 0.00000 0.45978 0.00000
|
|
224 13F+3 0.00000 0.00000 -0.11917 0.00000 -0.14727
|
|
225 13F-3 0.00000 0.00000 0.14412 0.00000 -0.00301
|
|
226 14F 0 -0.02692 0.03810 0.00000 0.02232 0.00000
|
|
227 14F+1 0.00000 0.00000 0.12627 0.00000 0.15115
|
|
228 14F-1 0.00000 0.00000 0.05464 0.00000 0.05543
|
|
229 14F+2 0.06900 0.00844 0.00000 -0.04723 0.00000
|
|
230 14F-2 0.35999 -0.03936 0.00000 -0.22956 0.00000
|
|
231 14F+3 0.00000 0.00000 0.07238 0.00000 0.09400
|
|
232 14F-3 0.00000 0.00000 -0.07353 0.00000 0.00125
|
|
233 15G 0 0.00000 0.00000 -0.09043 0.00000 -0.10183
|
|
234 15G+1 0.04335 -0.04873 0.00000 -0.09337 0.00000
|
|
235 15G-1 -0.11152 0.01344 0.00000 -0.01486 0.00000
|
|
236 15G+2 0.00000 0.00000 0.06852 0.00000 0.05539
|
|
237 15G-2 0.00000 0.00000 -0.03250 0.00000 -0.07393
|
|
238 15G+3 0.17440 -0.09052 0.00000 -0.19398 0.00000
|
|
239 15G-3 0.30898 -0.01625 0.00000 -0.18237 0.00000
|
|
240 15G+4 0.00000 0.00000 0.04536 0.00000 0.07636
|
|
241 15G-4 0.00000 0.00000 -0.09710 0.00000 -0.07236
|
|
242 4 H 1S 0.00000 0.00000 -0.02183 0.00000 -0.11355
|
|
243 2S 0.00000 0.00000 0.10601 0.00000 0.37990
|
|
244 3S 0.00000 0.00000 -0.89099 0.00000 -1.80781
|
|
245 4S 0.00000 0.00000 0.03906 0.00000 -0.40094
|
|
246 5S 0.00000 0.00000 -0.02976 0.00000 -0.11159
|
|
247 6PX 0.00000 0.00000 0.03605 0.00000 0.00062
|
|
248 6PY 0.00000 0.00000 -0.02166 0.00000 -0.00899
|
|
249 6PZ -0.00209 -0.00242 0.00000 -0.00521 0.00000
|
|
250 7PX 0.00000 0.00000 -0.04737 0.00000 0.09106
|
|
251 7PY 0.00000 0.00000 0.04700 0.00000 -0.04166
|
|
252 7PZ -0.01213 -0.05492 0.00000 0.02075 0.00000
|
|
253 8PX 0.00000 0.00000 -0.52758 0.00000 -0.93627
|
|
254 8PY 0.00000 0.00000 -0.27398 0.00000 -0.07048
|
|
255 8PZ 0.52035 0.79467 0.00000 0.09484 0.00000
|
|
256 9PX 0.00000 0.00000 -0.10318 0.00000 -0.42944
|
|
257 9PY 0.00000 0.00000 -0.12151 0.00000 0.03139
|
|
258 9PZ 0.07470 0.30828 0.00000 -0.01124 0.00000
|
|
259 10D 0 0.00000 0.00000 0.02326 0.00000 -0.01696
|
|
260 10D+1 -0.01894 0.02836 0.00000 -0.03824 0.00000
|
|
261 10D-1 -0.00523 0.04998 0.00000 0.09616 0.00000
|
|
262 10D+2 0.00000 0.00000 0.03779 0.00000 -0.02918
|
|
263 10D-2 0.00000 0.00000 -0.11959 0.00000 -0.03048
|
|
264 11D 0 0.00000 0.00000 0.05270 0.00000 0.08887
|
|
265 11D+1 0.19621 0.19789 0.00000 0.09681 0.00000
|
|
266 11D-1 -0.05610 -0.08722 0.00000 -0.05272 0.00000
|
|
267 11D+2 0.00000 0.00000 -0.17752 0.00000 -0.13885
|
|
268 11D-2 0.00000 0.00000 0.01183 0.00000 -0.03033
|
|
269 12D 0 0.00000 0.00000 0.09292 0.00000 0.25846
|
|
270 12D+1 0.24571 0.41440 0.00000 0.03394 0.00000
|
|
271 12D-1 -0.11591 -0.16535 0.00000 0.06019 0.00000
|
|
272 12D+2 0.00000 0.00000 -0.16927 0.00000 -0.26469
|
|
273 12D-2 0.00000 0.00000 -0.24889 0.00000 -0.04921
|
|
274 13F 0 0.05987 0.29036 0.00000 0.04829 0.00000
|
|
275 13F+1 0.00000 0.00000 -0.14380 0.00000 -0.08057
|
|
276 13F-1 0.00000 0.00000 -0.07758 0.00000 0.15662
|
|
277 13F+2 -0.08945 0.06467 0.00000 0.02239 0.00000
|
|
278 13F-2 0.07513 0.04485 0.00000 0.01413 0.00000
|
|
279 13F+3 0.00000 0.00000 0.00838 0.00000 -0.06053
|
|
280 13F-3 0.00000 0.00000 -0.03253 0.00000 0.07788
|
|
281 14F 0 -0.11552 -0.25012 0.00000 -0.04221 0.00000
|
|
282 14F+1 0.00000 0.00000 0.13212 0.00000 0.15432
|
|
283 14F-1 0.00000 0.00000 0.06386 0.00000 -0.09976
|
|
284 14F+2 0.13882 0.09644 0.00000 0.03095 0.00000
|
|
285 14F-2 -0.11651 -0.11614 0.00000 0.02715 0.00000
|
|
286 14F+3 0.00000 0.00000 -0.11950 0.00000 -0.05561
|
|
287 14F-3 0.00000 0.00000 -0.07880 0.00000 -0.05075
|
|
288 15G 0 0.00000 0.00000 -0.20613 0.00000 0.43098
|
|
289 15G+1 0.06393 -0.08259 0.00000 0.14663 0.00000
|
|
290 15G-1 0.44253 -0.36463 0.00000 0.44877 0.00000
|
|
291 15G+2 0.00000 0.00000 -0.21689 0.00000 0.35576
|
|
292 15G-2 0.00000 0.00000 -0.01405 0.00000 -0.06791
|
|
293 15G+3 0.12666 0.00870 0.00000 0.19393 0.00000
|
|
294 15G-3 0.15874 -0.16512 0.00000 0.08227 0.00000
|
|
295 15G+4 0.00000 0.00000 -0.08666 0.00000 0.01352
|
|
296 15G-4 0.00000 0.00000 0.04151 0.00000 -0.01202
|
|
297 5 H 1S -0.02103 -0.01892 0.02060 -0.01487 -0.09854
|
|
298 2S 0.10688 0.05184 -0.02549 0.04784 0.25208
|
|
299 3S -0.51251 -0.14925 -0.02141 -0.31636 -1.60881
|
|
300 4S -0.02069 -0.06848 -0.22578 0.10723 -0.29113
|
|
301 5S -0.01376 0.00059 -0.00439 -0.01224 -0.03453
|
|
302 6PX -0.01646 -0.00555 0.00989 -0.00537 -0.00023
|
|
303 6PY -0.01408 -0.00163 0.01293 -0.01178 -0.00838
|
|
304 6PZ -0.02743 -0.00765 0.01355 -0.01307 -0.00047
|
|
305 7PX 0.02547 -0.02960 -0.02289 -0.00844 -0.01254
|
|
306 7PY 0.02351 0.00517 -0.03613 0.05454 -0.01219
|
|
307 7PZ 0.03799 0.03290 -0.02601 0.00675 -0.04171
|
|
308 8PX -0.16284 0.51812 -0.42590 0.10556 0.32184
|
|
309 8PY 0.09503 0.08487 0.23807 -0.48688 -0.16228
|
|
310 8PZ 0.40916 -0.21922 0.08373 0.36848 0.67709
|
|
311 9PX -0.02606 0.19908 -0.07755 0.04011 0.12396
|
|
312 9PY 0.05321 0.02599 0.10796 -0.20289 0.00882
|
|
313 9PZ 0.08998 -0.06913 0.06162 0.06792 0.22154
|
|
314 10D 0 0.03779 0.04752 0.01624 -0.00519 -0.03272
|
|
315 10D+1 0.03349 -0.00005 -0.00661 -0.05734 -0.02209
|
|
316 10D-1 0.05929 -0.01890 -0.02718 0.12273 0.03297
|
|
317 10D+2 -0.01122 -0.02612 -0.00794 0.03252 -0.02755
|
|
318 10D-2 0.00897 0.04341 -0.09668 0.01739 0.02598
|
|
319 11D 0 -0.17395 0.05878 -0.07708 -0.12877 -0.09022
|
|
320 11D+1 -0.02543 -0.09422 0.14645 -0.02067 -0.08577
|
|
321 11D-1 -0.11300 -0.00321 -0.03470 0.00808 0.02024
|
|
322 11D+2 0.05110 -0.03640 0.10628 -0.05737 -0.02753
|
|
323 11D-2 0.01193 -0.08007 0.08490 0.03487 0.01063
|
|
324 12D 0 -0.14785 0.19446 -0.07286 -0.20491 -0.18859
|
|
325 12D+1 0.04819 -0.16050 0.16527 -0.14485 -0.22062
|
|
326 12D-1 -0.05391 0.02486 -0.13836 0.26612 0.09960
|
|
327 12D+2 0.08608 -0.09446 0.13764 -0.09923 0.00244
|
|
328 12D-2 0.06340 -0.10585 -0.00999 0.11411 0.09702
|
|
329 13F 0 -0.02784 0.04196 -0.03633 -0.01850 0.00833
|
|
330 13F+1 -0.11257 0.03394 0.03003 -0.06201 -0.03691
|
|
331 13F-1 -0.07263 -0.01995 0.00069 -0.02368 0.07658
|
|
332 13F+2 0.08319 -0.19753 0.08425 0.00178 0.05530
|
|
333 13F-2 0.01569 -0.03234 0.01530 0.03726 -0.03076
|
|
334 13F+3 0.01540 0.23564 -0.09869 -0.01381 0.01546
|
|
335 13F-3 -0.01264 0.07489 0.01343 -0.03233 0.15534
|
|
336 14F 0 0.09306 -0.10411 0.07770 0.10951 0.04140
|
|
337 14F+1 0.08584 0.00798 -0.07770 0.12970 0.13141
|
|
338 14F-1 0.09429 -0.01063 0.04864 -0.05793 -0.05206
|
|
339 14F+2 -0.08304 0.14209 -0.13774 0.07270 0.00031
|
|
340 14F-2 -0.02848 0.06090 -0.00777 -0.06920 0.00107
|
|
341 14F+3 -0.02012 -0.10822 0.01338 0.02896 -0.00294
|
|
342 14F-3 -0.02452 -0.00526 -0.02529 0.00810 -0.11290
|
|
343 15G 0 -0.07373 0.00201 -0.05116 -0.05096 -0.01756
|
|
344 15G+1 0.04903 0.05808 0.05754 0.05633 -0.04042
|
|
345 15G-1 0.00410 0.10463 0.00814 -0.06888 0.02596
|
|
346 15G+2 -0.06127 -0.05170 -0.07446 -0.17514 0.12369
|
|
347 15G-2 -0.16306 -0.20432 -0.13029 -0.00773 -0.04562
|
|
348 15G+3 -0.03616 -0.08774 -0.02462 0.23662 -0.31192
|
|
349 15G-3 0.14306 0.27114 0.35380 0.13590 -0.07071
|
|
350 15G+4 0.08673 0.21359 0.35770 -0.17183 0.28374
|
|
351 15G-4 -0.08055 -0.33055 -0.26225 -0.26222 0.16908
|
|
352 6 H 1S 0.02103 0.01892 0.02060 0.01487 -0.09854
|
|
353 2S -0.10688 -0.05184 -0.02549 -0.04784 0.25208
|
|
354 3S 0.51251 0.14925 -0.02141 0.31636 -1.60881
|
|
355 4S 0.02069 0.06848 -0.22578 -0.10723 -0.29113
|
|
356 5S 0.01376 -0.00059 -0.00439 0.01224 -0.03453
|
|
357 6PX 0.01646 0.00555 0.00989 0.00537 -0.00023
|
|
358 6PY 0.01408 0.00163 0.01293 0.01178 -0.00838
|
|
359 6PZ -0.02743 -0.00765 -0.01355 -0.01307 0.00047
|
|
360 7PX -0.02547 0.02960 -0.02289 0.00844 -0.01254
|
|
361 7PY -0.02351 -0.00517 -0.03613 -0.05454 -0.01219
|
|
362 7PZ 0.03799 0.03290 0.02601 0.00675 0.04171
|
|
363 8PX 0.16284 -0.51812 -0.42590 -0.10556 0.32184
|
|
364 8PY -0.09503 -0.08487 0.23807 0.48688 -0.16228
|
|
365 8PZ 0.40916 -0.21922 -0.08373 0.36848 -0.67709
|
|
366 9PX 0.02606 -0.19908 -0.07755 -0.04011 0.12396
|
|
367 9PY -0.05321 -0.02599 0.10796 0.20289 0.00882
|
|
368 9PZ 0.08998 -0.06913 -0.06162 0.06792 -0.22154
|
|
369 10D 0 -0.03779 -0.04752 0.01624 0.00519 -0.03272
|
|
370 10D+1 0.03349 -0.00005 0.00661 -0.05734 0.02209
|
|
371 10D-1 0.05929 -0.01890 0.02718 0.12273 -0.03297
|
|
372 10D+2 0.01122 0.02612 -0.00794 -0.03252 -0.02755
|
|
373 10D-2 -0.00897 -0.04341 -0.09668 -0.01739 0.02598
|
|
374 11D 0 0.17395 -0.05878 -0.07708 0.12877 -0.09022
|
|
375 11D+1 -0.02543 -0.09422 -0.14645 -0.02067 0.08577
|
|
376 11D-1 -0.11300 -0.00321 0.03470 0.00808 -0.02024
|
|
377 11D+2 -0.05110 0.03640 0.10628 0.05737 -0.02753
|
|
378 11D-2 -0.01193 0.08007 0.08490 -0.03487 0.01063
|
|
379 12D 0 0.14785 -0.19446 -0.07286 0.20491 -0.18859
|
|
380 12D+1 0.04819 -0.16050 -0.16527 -0.14485 0.22062
|
|
381 12D-1 -0.05391 0.02486 0.13836 0.26612 -0.09960
|
|
382 12D+2 -0.08608 0.09446 0.13764 0.09923 0.00244
|
|
383 12D-2 -0.06340 0.10585 -0.00999 -0.11411 0.09702
|
|
384 13F 0 -0.02784 0.04196 0.03633 -0.01850 -0.00833
|
|
385 13F+1 0.11257 -0.03394 0.03003 0.06201 -0.03691
|
|
386 13F-1 0.07263 0.01995 0.00069 0.02368 0.07658
|
|
387 13F+2 0.08319 -0.19753 -0.08425 0.00178 -0.05530
|
|
388 13F-2 0.01569 -0.03234 -0.01530 0.03726 0.03076
|
|
389 13F+3 -0.01540 -0.23564 -0.09869 0.01381 0.01546
|
|
390 13F-3 0.01264 -0.07489 0.01343 0.03233 0.15534
|
|
391 14F 0 0.09306 -0.10411 -0.07770 0.10951 -0.04140
|
|
392 14F+1 -0.08584 -0.00798 -0.07770 -0.12970 0.13141
|
|
393 14F-1 -0.09429 0.01063 0.04864 0.05793 -0.05206
|
|
394 14F+2 -0.08304 0.14209 0.13774 0.07270 -0.00031
|
|
395 14F-2 -0.02848 0.06090 0.00777 -0.06920 -0.00107
|
|
396 14F+3 0.02012 0.10822 0.01338 -0.02896 -0.00294
|
|
397 14F-3 0.02452 0.00526 -0.02529 -0.00810 -0.11290
|
|
398 15G 0 0.07373 -0.00201 -0.05116 0.05096 -0.01756
|
|
399 15G+1 0.04903 0.05808 -0.05754 0.05633 0.04042
|
|
400 15G-1 0.00410 0.10463 -0.00814 -0.06888 -0.02596
|
|
401 15G+2 0.06127 0.05170 -0.07446 0.17514 0.12369
|
|
402 15G-2 0.16306 0.20432 -0.13029 0.00773 -0.04562
|
|
403 15G+3 -0.03616 -0.08774 0.02462 0.23662 0.31192
|
|
404 15G-3 0.14306 0.27114 -0.35380 0.13590 0.07071
|
|
405 15G+4 -0.08673 -0.21359 0.35770 0.17183 0.28374
|
|
406 15G-4 0.08055 0.33055 -0.26225 0.26222 0.16908
|
|
311 312 313 314 315
|
|
V V V V V
|
|
Eigenvalues -- 12.81806 12.89839 12.91241 12.93428 12.93653
|
|
1 1 C 1S 0.00312 0.00000 0.00283 -0.00365 0.00000
|
|
2 2S 0.00590 0.00000 -0.00229 -0.01896 0.00000
|
|
3 3S 0.06366 0.00000 0.01221 -0.20870 0.00000
|
|
4 4S -0.03781 0.00000 0.03244 -0.05180 0.00000
|
|
5 5S -1.31701 0.00000 -0.82672 4.21011 0.00000
|
|
6 6S -0.19533 0.00000 -0.34463 0.91081 0.00000
|
|
7 7PX 0.18334 0.00000 -0.11703 -0.09719 0.00000
|
|
8 7PY 0.05268 0.00000 -0.02773 -0.07167 0.00000
|
|
9 7PZ 0.00000 0.20121 0.00000 0.00000 0.08832
|
|
10 8PX -0.66161 0.00000 0.48865 0.41140 0.00000
|
|
11 8PY -0.11485 0.00000 0.15217 0.20826 0.00000
|
|
12 8PZ 0.00000 -0.76999 0.00000 0.00000 -0.30437
|
|
13 9PX -0.11254 0.00000 0.34996 0.28910 0.00000
|
|
14 9PY -0.35551 0.00000 -0.51742 0.66252 0.00000
|
|
15 9PZ 0.00000 -0.87673 0.00000 0.00000 -0.78381
|
|
16 10PX 0.31643 0.00000 1.12591 -1.16019 0.00000
|
|
17 10PY 0.31235 0.00000 0.25195 -0.55394 0.00000
|
|
18 10PZ 0.00000 -1.79945 0.00000 0.00000 -1.61334
|
|
19 11PX -0.00185 0.00000 -0.04163 0.07203 0.00000
|
|
20 11PY 0.03202 0.00000 0.03063 -0.02982 0.00000
|
|
21 11PZ 0.00000 0.00105 0.00000 0.00000 -0.05542
|
|
22 12D 0 0.33502 0.00000 -0.11461 -0.30334 0.00000
|
|
23 12D+1 0.00000 0.23212 0.00000 0.00000 0.11769
|
|
24 12D-1 0.00000 0.31049 0.00000 0.00000 0.05882
|
|
25 12D+2 -0.05775 0.00000 0.15219 -0.09309 0.00000
|
|
26 12D-2 -0.13465 0.00000 -0.29973 -0.11607 0.00000
|
|
27 13D 0 -0.54702 0.00000 0.28875 0.54698 0.00000
|
|
28 13D+1 0.00000 -0.50463 0.00000 0.00000 -0.23207
|
|
29 13D-1 0.00000 -0.61497 0.00000 0.00000 -0.14044
|
|
30 13D+2 0.08348 0.00000 -0.27766 0.11066 0.00000
|
|
31 13D-2 0.13391 0.00000 0.53648 0.21929 0.00000
|
|
32 14D 0 0.10356 0.00000 0.28826 -0.85320 0.00000
|
|
33 14D+1 0.00000 -0.99189 0.00000 0.00000 -1.21998
|
|
34 14D-1 0.00000 -0.39943 0.00000 0.00000 -0.49851
|
|
35 14D+2 0.69293 0.00000 -0.38749 0.64495 0.00000
|
|
36 14D-2 -0.05160 0.00000 0.02756 -0.09955 0.00000
|
|
37 15D 0 0.10733 0.00000 0.38566 -0.79587 0.00000
|
|
38 15D+1 0.00000 -0.57037 0.00000 0.00000 -0.65542
|
|
39 15D-1 0.00000 0.23730 0.00000 0.00000 -0.35234
|
|
40 15D+2 0.18852 0.00000 -0.07376 0.24687 0.00000
|
|
41 15D-2 -0.24971 0.00000 -0.61621 -0.00211 0.00000
|
|
42 16F 0 0.00000 -0.07580 0.00000 0.00000 -0.06025
|
|
43 16F+1 0.02689 0.00000 0.05162 -0.04519 0.00000
|
|
44 16F-1 -0.00216 0.00000 -0.06753 0.01429 0.00000
|
|
45 16F+2 0.00000 -0.08601 0.00000 0.00000 -0.05883
|
|
46 16F-2 0.00000 0.06878 0.00000 0.00000 0.06997
|
|
47 16F+3 0.17391 0.00000 0.08298 -0.07686 0.00000
|
|
48 16F-3 0.02843 0.00000 0.03610 -0.05632 0.00000
|
|
49 17F 0 0.00000 0.12854 0.00000 0.00000 0.21079
|
|
50 17F+1 -0.03851 0.00000 -0.12536 0.28907 0.00000
|
|
51 17F-1 -0.04847 0.00000 0.26865 -0.09545 0.00000
|
|
52 17F+2 0.00000 0.16036 0.00000 0.00000 0.18416
|
|
53 17F-2 0.00000 -0.42101 0.00000 0.00000 -0.41132
|
|
54 17F+3 -0.38758 0.00000 -0.08408 0.15573 0.00000
|
|
55 17F-3 -0.15249 0.00000 -0.18265 0.25560 0.00000
|
|
56 18F 0 0.00000 0.57109 0.00000 0.00000 -0.10195
|
|
57 18F+1 -0.03535 0.00000 -0.35004 0.25358 0.00000
|
|
58 18F-1 -0.04695 0.00000 0.21711 -0.00508 0.00000
|
|
59 18F+2 0.00000 0.83608 0.00000 0.00000 -0.38757
|
|
60 18F-2 0.00000 -0.53245 0.00000 0.00000 -0.49180
|
|
61 18F+3 -0.16057 0.00000 -1.04413 -0.36935 0.00000
|
|
62 18F-3 -0.17784 0.00000 -0.46519 0.64255 0.00000
|
|
63 19G 0 0.00459 0.00000 0.05061 0.02700 0.00000
|
|
64 19G+1 0.00000 0.00651 0.00000 0.00000 -0.04015
|
|
65 19G-1 0.00000 -0.03667 0.00000 0.00000 -0.05075
|
|
66 19G+2 -0.00797 0.00000 -0.01085 -0.02890 0.00000
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324 12D 0 0.04467 0.50505 0.01788 -0.27515 0.31540
|
|
325 12D+1 0.22482 0.37775 -0.30840 -0.06025 -0.02265
|
|
326 12D-1 0.04628 -0.00738 0.13108 -0.24802 0.13556
|
|
327 12D+2 0.06397 -0.01566 -0.09821 0.08961 0.02932
|
|
328 12D-2 0.10469 -0.07108 0.00352 -0.04249 0.00886
|
|
329 13F 0 -0.06623 0.08361 -0.00577 -0.12987 -0.00039
|
|
330 13F+1 0.04478 0.11916 -0.22971 0.07077 0.17348
|
|
331 13F-1 -0.04918 0.16608 0.22012 0.09509 0.03308
|
|
332 13F+2 -0.01179 0.25579 0.33128 -0.02957 -0.23797
|
|
333 13F-2 0.11246 -0.22155 -0.10312 -0.39150 -0.24255
|
|
334 13F+3 0.07489 -0.34707 -0.46108 -0.16123 -0.03582
|
|
335 13F-3 -0.08629 -0.00364 -0.29349 0.33053 0.41130
|
|
336 14F 0 0.06563 -0.15463 -0.03785 0.10420 -0.11937
|
|
337 14F+1 -0.09622 -0.24910 0.22151 0.01622 -0.13499
|
|
338 14F-1 0.00544 -0.16006 -0.11514 0.06786 -0.08460
|
|
339 14F+2 -0.02121 -0.15360 -0.13094 -0.03094 0.09811
|
|
340 14F-2 -0.12660 0.07115 0.07785 0.25698 0.13393
|
|
341 14F+3 -0.02731 0.20353 0.26529 0.07557 -0.00908
|
|
342 14F-3 0.01730 0.01901 0.15510 -0.19451 -0.24150
|
|
343 15G 0 0.03176 0.03095 0.01275 -0.01615 0.02547
|
|
344 15G+1 0.00614 0.03655 0.03080 -0.05667 0.06790
|
|
345 15G-1 0.01597 0.08549 -0.06276 -0.07148 -0.01309
|
|
346 15G+2 -0.02286 0.05670 -0.06985 -0.01681 -0.06046
|
|
347 15G-2 0.06729 -0.04779 -0.00422 0.04080 0.00831
|
|
348 15G+3 0.16425 -0.09137 0.04590 0.10568 0.04921
|
|
349 15G-3 -0.07528 0.10782 0.01340 -0.03879 0.02170
|
|
350 15G+4 -0.23233 0.13453 -0.06962 -0.07287 -0.02168
|
|
351 15G-4 -0.05524 0.04316 -0.08188 -0.02096 -0.06613
|
|
352 6 H 1S 0.06479 -0.09537 -0.01604 -0.08104 -0.05432
|
|
353 2S -0.25102 0.59428 0.15366 0.28874 0.37733
|
|
354 3S 0.61389 -2.21970 -0.33649 -1.06756 -2.05327
|
|
355 4S 0.22927 -1.42821 -0.23278 -0.22239 -1.29491
|
|
356 5S 0.01394 0.05737 0.05698 -0.12713 0.02754
|
|
357 6PX 0.00126 0.00267 -0.01515 -0.00674 0.00909
|
|
358 6PY -0.00402 0.03040 0.01803 -0.00125 -0.01346
|
|
359 6PZ -0.00311 0.00647 -0.00636 0.01705 -0.00225
|
|
360 7PX 0.05996 -0.07141 -0.07416 -0.04365 -0.01315
|
|
361 7PY 0.03678 0.02770 0.03882 -0.02763 -0.05121
|
|
362 7PZ -0.04111 0.18281 0.03302 0.05856 0.06753
|
|
363 8PX -0.31929 0.42270 0.42300 -0.14825 0.00235
|
|
364 8PY -0.04235 -0.15727 -0.20489 0.30101 0.21694
|
|
365 8PZ 0.31937 -1.37697 -0.18668 -0.77389 -0.99215
|
|
366 9PX -0.20569 0.22250 0.36928 -0.04473 0.05686
|
|
367 9PY -0.02429 0.08135 -0.07409 0.16335 0.21339
|
|
368 9PZ 0.20830 -0.79138 0.00906 -0.47452 -0.48389
|
|
369 10D 0 -0.01113 0.02178 0.00644 0.03164 0.00085
|
|
370 10D+1 0.02058 -0.02198 -0.00910 -0.00414 -0.04387
|
|
371 10D-1 0.00955 -0.04211 -0.00141 0.02053 0.01310
|
|
372 10D+2 0.01793 -0.01531 0.00036 -0.02358 -0.03150
|
|
373 10D-2 0.01380 0.01456 0.06018 0.03451 0.01333
|
|
374 11D 0 0.05098 -0.21786 -0.02101 -0.16956 -0.20932
|
|
375 11D+1 -0.08938 0.15258 0.08267 -0.00948 0.08272
|
|
376 11D-1 -0.02343 0.11801 0.03936 0.10648 0.02512
|
|
377 11D+2 0.00632 0.00377 -0.02064 0.08188 -0.00254
|
|
378 11D-2 0.00886 -0.03602 -0.04798 -0.00091 0.01858
|
|
379 12D 0 0.04467 -0.50505 0.01788 -0.27515 -0.31540
|
|
380 12D+1 -0.22482 0.37775 0.30840 0.06025 -0.02265
|
|
381 12D-1 -0.04628 -0.00738 -0.13108 0.24802 0.13556
|
|
382 12D+2 0.06397 0.01566 -0.09821 0.08961 -0.02932
|
|
383 12D-2 0.10469 0.07108 0.00352 -0.04249 -0.00886
|
|
384 13F 0 0.06623 0.08361 0.00577 0.12987 -0.00039
|
|
385 13F+1 0.04478 -0.11916 -0.22971 0.07077 -0.17348
|
|
386 13F-1 -0.04918 -0.16608 0.22012 0.09509 -0.03308
|
|
387 13F+2 0.01179 0.25579 -0.33128 0.02957 -0.23797
|
|
388 13F-2 -0.11246 -0.22155 0.10312 0.39150 -0.24255
|
|
389 13F+3 0.07489 0.34707 -0.46108 -0.16123 0.03582
|
|
390 13F-3 -0.08629 0.00364 -0.29349 0.33053 -0.41130
|
|
391 14F 0 -0.06563 -0.15463 0.03785 -0.10420 -0.11937
|
|
392 14F+1 -0.09622 0.24910 0.22151 0.01622 0.13499
|
|
393 14F-1 0.00544 0.16006 -0.11514 0.06786 0.08460
|
|
394 14F+2 0.02121 -0.15360 0.13094 0.03094 0.09811
|
|
395 14F-2 0.12660 0.07115 -0.07785 -0.25698 0.13393
|
|
396 14F+3 -0.02731 -0.20353 0.26529 0.07557 0.00908
|
|
397 14F-3 0.01730 -0.01901 0.15510 -0.19451 0.24150
|
|
398 15G 0 0.03176 -0.03095 0.01275 -0.01615 -0.02547
|
|
399 15G+1 -0.00614 0.03655 -0.03080 0.05667 0.06790
|
|
400 15G-1 -0.01597 0.08549 0.06276 0.07148 -0.01309
|
|
401 15G+2 -0.02286 -0.05670 -0.06985 -0.01681 0.06046
|
|
402 15G-2 0.06729 0.04779 -0.00422 0.04080 -0.00831
|
|
403 15G+3 -0.16425 -0.09137 -0.04590 -0.10568 0.04921
|
|
404 15G-3 0.07528 0.10782 -0.01340 0.03879 0.02170
|
|
405 15G+4 -0.23233 -0.13453 -0.06962 -0.07287 0.02168
|
|
406 15G-4 -0.05524 -0.04316 -0.08188 -0.02096 0.06613
|
|
316 317 318 319 320
|
|
V V V V V
|
|
Eigenvalues -- 12.95494 12.96737 12.99348 13.00170 13.05757
|
|
1 1 C 1S -0.00247 0.00000 -0.02047 0.00000 0.00000
|
|
2 2S -0.00776 0.00000 0.07739 0.00000 0.00000
|
|
3 3S -0.10652 0.00000 0.46578 0.00000 0.00000
|
|
4 4S 0.20957 0.00000 -3.38129 0.00000 0.00000
|
|
5 5S 1.02288 0.00000 9.06146 0.00000 0.00000
|
|
6 6S -0.05730 0.00000 0.29532 0.00000 0.00000
|
|
7 7PX -0.27169 0.00000 0.09692 0.00000 0.00000
|
|
8 7PY -0.03969 0.00000 0.05769 0.00000 0.00000
|
|
9 7PZ 0.00000 0.03400 0.00000 -0.05902 0.08197
|
|
10 8PX 0.94127 0.00000 -0.35609 0.00000 0.00000
|
|
11 8PY 0.11302 0.00000 -0.51662 0.00000 0.00000
|
|
12 8PZ 0.00000 -0.02860 0.00000 0.18489 -0.31329
|
|
13 9PX 2.09093 0.00000 -0.76025 0.00000 0.00000
|
|
14 9PY 0.40075 0.00000 2.62516 0.00000 0.00000
|
|
15 9PZ 0.00000 -1.40036 0.00000 0.98637 -0.68731
|
|
16 10PX 3.22870 0.00000 0.24576 0.00000 0.00000
|
|
17 10PY -0.00001 0.00000 -0.36484 0.00000 0.00000
|
|
18 10PZ 0.00000 -1.71332 0.00000 0.80681 -0.59858
|
|
19 11PX 0.02930 0.00000 -0.05750 0.00000 0.00000
|
|
20 11PY 0.01021 0.00000 0.04693 0.00000 0.00000
|
|
21 11PZ 0.00000 -0.02405 0.00000 0.09753 -0.06142
|
|
22 12D 0 -0.36823 0.00000 0.05480 0.00000 0.00000
|
|
23 12D+1 0.00000 -0.04324 0.00000 -0.09681 0.10381
|
|
24 12D-1 0.00000 -0.00291 0.00000 -0.08355 0.16471
|
|
25 12D+2 0.09475 0.00000 -0.25875 0.00000 0.00000
|
|
26 12D-2 -0.29872 0.00000 0.09698 0.00000 0.00000
|
|
27 13D 0 0.72463 0.00000 -0.18879 0.00000 0.00000
|
|
28 13D+1 0.00000 0.04111 0.00000 0.20640 -0.24113
|
|
29 13D-1 0.00000 0.01385 0.00000 0.15531 -0.30078
|
|
30 13D+2 -0.25816 0.00000 0.38074 0.00000 0.00000
|
|
31 13D-2 0.55182 0.00000 -0.17318 0.00000 0.00000
|
|
32 14D 0 1.80553 0.00000 0.42108 0.00000 0.00000
|
|
33 14D+1 0.00000 -1.55870 0.00000 0.19316 -0.07948
|
|
34 14D-1 0.00000 -1.05107 0.00000 0.27045 -0.11985
|
|
35 14D+2 -1.07045 0.00000 0.27431 0.00000 0.00000
|
|
36 14D-2 0.80719 0.00000 -0.16112 0.00000 0.00000
|
|
37 15D 0 0.94381 0.00000 0.12258 0.00000 0.00000
|
|
38 15D+1 0.00000 -0.62705 0.00000 0.04810 -0.08887
|
|
39 15D-1 0.00000 -0.51036 0.00000 0.11598 0.01147
|
|
40 15D+2 -0.65066 0.00000 -0.36854 0.00000 0.00000
|
|
41 15D-2 0.18573 0.00000 -0.24753 0.00000 0.00000
|
|
42 16F 0 0.00000 -0.02467 0.00000 0.02074 0.04840
|
|
43 16F+1 0.00717 0.00000 -0.05388 0.00000 0.00000
|
|
44 16F-1 -0.07867 0.00000 -0.02847 0.00000 0.00000
|
|
45 16F+2 0.00000 -0.05047 0.00000 -0.02413 -0.08320
|
|
46 16F-2 0.00000 0.03799 0.00000 -0.01430 0.01676
|
|
47 16F+3 0.06071 0.00000 0.05255 0.00000 0.00000
|
|
48 16F-3 0.08647 0.00000 -0.03709 0.00000 0.00000
|
|
49 17F 0 0.00000 0.07497 0.00000 -0.05145 -0.23507
|
|
50 17F+1 0.01639 0.00000 0.23035 0.00000 0.00000
|
|
51 17F-1 0.57356 0.00000 0.10186 0.00000 0.00000
|
|
52 17F+2 0.00000 0.25158 0.00000 0.05997 0.26214
|
|
53 17F-2 0.00000 -0.40141 0.00000 0.10637 -0.10714
|
|
54 17F+3 -0.08965 0.00000 -0.17984 0.00000 0.00000
|
|
55 17F-3 -0.45854 0.00000 0.14618 0.00000 0.00000
|
|
56 18F 0 0.00000 -0.32456 0.00000 0.17062 0.04222
|
|
57 18F+1 0.00781 0.00000 0.80701 0.00000 0.00000
|
|
58 18F-1 0.67171 0.00000 1.02917 0.00000 0.00000
|
|
59 18F+2 0.00000 -0.06146 0.00000 0.10335 0.01997
|
|
60 18F-2 0.00000 -0.55151 0.00000 0.01089 0.02602
|
|
61 18F+3 -0.06795 0.00000 -0.45299 0.00000 0.00000
|
|
62 18F-3 -0.31391 0.00000 0.92440 0.00000 0.00000
|
|
63 19G 0 -0.05693 0.00000 -0.00724 0.00000 0.00000
|
|
64 19G+1 0.00000 -0.07677 0.00000 0.02149 -0.00253
|
|
65 19G-1 0.00000 -0.01871 0.00000 -0.02533 0.01781
|
|
66 19G+2 0.02858 0.00000 -0.01294 0.00000 0.00000
|
|
67 19G-2 0.02764 0.00000 0.05752 0.00000 0.00000
|
|
68 19G+3 0.00000 0.00474 0.00000 -0.01257 -0.01113
|
|
69 19G-3 0.00000 -0.03873 0.00000 -0.00048 0.00873
|
|
70 19G+4 -0.02055 0.00000 -0.00459 0.00000 0.00000
|
|
71 19G-4 0.00869 0.00000 0.03185 0.00000 0.00000
|
|
72 20G 0 0.20544 0.00000 0.04765 0.00000 0.00000
|
|
73 20G+1 0.00000 0.39336 0.00000 -0.02397 0.03044
|
|
74 20G-1 0.00000 0.04943 0.00000 -0.00837 -0.24230
|
|
75 20G+2 -0.28718 0.00000 -0.10171 0.00000 0.00000
|
|
76 20G-2 -0.04688 0.00000 0.22693 0.00000 0.00000
|
|
77 20G+3 0.00000 0.02402 0.00000 -0.01801 0.03522
|
|
78 20G-3 0.00000 0.14681 0.00000 0.05895 0.20888
|
|
79 20G+4 0.16969 0.00000 -0.05705 0.00000 0.00000
|
|
80 20G-4 0.04564 0.00000 -0.17553 0.00000 0.00000
|
|
81 21H 0 0.00000 0.09306 0.00000 -0.00465 -0.02389
|
|
82 21H+1 -0.00053 0.00000 -0.01636 0.00000 0.00000
|
|
83 21H-1 0.09626 0.00000 0.01900 0.00000 0.00000
|
|
84 21H+2 0.00000 0.04292 0.00000 -0.03669 0.01715
|
|
85 21H-2 0.00000 0.07982 0.00000 -0.00337 0.01944
|
|
86 21H+3 -0.03245 0.00000 -0.13477 0.00000 0.00000
|
|
87 21H-3 -0.13243 0.00000 -0.03158 0.00000 0.00000
|
|
88 21H+4 0.00000 0.10240 0.00000 0.00023 0.00056
|
|
89 21H-4 0.00000 -0.08812 0.00000 0.02109 -0.00603
|
|
90 21H+5 -0.07520 0.00000 0.04714 0.00000 0.00000
|
|
91 21H-5 -0.01012 0.00000 0.04872 0.00000 0.00000
|
|
92 2 S 1S 0.00320 0.00000 -0.00033 0.00000 0.00000
|
|
93 2S -0.00631 0.00000 -0.01088 0.00000 0.00000
|
|
94 3S 0.07590 0.00000 0.01806 0.00000 0.00000
|
|
95 4S 0.24338 0.00000 0.11670 0.00000 0.00000
|
|
96 5S -0.00021 0.00000 -0.17990 0.00000 0.00000
|
|
97 6S -0.94925 0.00000 -0.55347 0.00000 0.00000
|
|
98 7S -0.13281 0.00000 0.09994 0.00000 0.00000
|
|
99 8PX 0.00679 0.00000 0.00442 0.00000 0.00000
|
|
100 8PY -0.00442 0.00000 -0.01246 0.00000 0.00000
|
|
101 8PZ 0.00000 -0.01856 0.00000 -0.00468 0.00493
|
|
102 9PX 0.00843 0.00000 -0.01275 0.00000 0.00000
|
|
103 9PY -0.00060 0.00000 0.00346 0.00000 0.00000
|
|
104 9PZ 0.00000 -0.00565 0.00000 -0.01291 0.00625
|
|
105 10PX 0.05355 0.00000 -0.19244 0.00000 0.00000
|
|
106 10PY 0.05433 0.00000 0.18687 0.00000 0.00000
|
|
107 10PZ 0.00000 0.08830 0.00000 -0.03428 0.00213
|
|
108 11PX -0.08168 0.00000 0.58819 0.00000 0.00000
|
|
109 11PY -0.25200 0.00000 -0.81820 0.00000 0.00000
|
|
110 11PZ 0.00000 -0.18587 0.00000 -0.04155 0.02365
|
|
111 12PX -1.06723 0.00000 0.04963 0.00000 0.00000
|
|
112 12PY 0.21528 0.00000 -0.52677 0.00000 0.00000
|
|
113 12PZ 0.00000 0.01148 0.00000 0.12488 0.04276
|
|
114 13PX -0.08089 0.00000 -0.03733 0.00000 0.00000
|
|
115 13PY 0.01620 0.00000 0.02184 0.00000 0.00000
|
|
116 13PZ 0.00000 0.02922 0.00000 -0.03097 0.01840
|
|
117 14D 0 0.04566 0.00000 -0.06381 0.00000 0.00000
|
|
118 14D+1 0.00000 0.10968 0.00000 0.16573 -0.06685
|
|
119 14D-1 0.00000 0.05286 0.00000 -0.03650 0.11241
|
|
120 14D+2 -0.32198 0.00000 0.26943 0.00000 0.00000
|
|
121 14D-2 -0.36707 0.00000 -0.41621 0.00000 0.00000
|
|
122 15D 0 0.22092 0.00000 0.03077 0.00000 0.00000
|
|
123 15D+1 0.00000 0.01679 0.00000 -0.12589 0.03333
|
|
124 15D-1 0.00000 -0.31978 0.00000 0.11872 0.02036
|
|
125 15D+2 -0.19363 0.00000 0.50876 0.00000 0.00000
|
|
126 15D-2 0.16490 0.00000 0.01925 0.00000 0.00000
|
|
127 16D 0 -0.03778 0.00000 -0.00573 0.00000 0.00000
|
|
128 16D+1 0.00000 -0.00454 0.00000 0.08940 -0.02971
|
|
129 16D-1 0.00000 0.16210 0.00000 -0.07457 -0.01235
|
|
130 16D+2 0.08247 0.00000 0.01899 0.00000 0.00000
|
|
131 16D-2 -0.04031 0.00000 0.00359 0.00000 0.00000
|
|
132 17D 0 0.00155 0.00000 0.01133 0.00000 0.00000
|
|
133 17D+1 0.00000 -0.00478 0.00000 -0.08989 0.03490
|
|
134 17D-1 0.00000 -0.06233 0.00000 0.04030 0.00133
|
|
135 17D+2 -0.03255 0.00000 -0.05050 0.00000 0.00000
|
|
136 17D-2 -0.00222 0.00000 -0.00933 0.00000 0.00000
|
|
137 18F 0 0.00000 -0.07543 0.00000 -0.05981 0.02302
|
|
138 18F+1 0.11461 0.00000 -0.00818 0.00000 0.00000
|
|
139 18F-1 -0.07286 0.00000 -0.01842 0.00000 0.00000
|
|
140 18F+2 0.00000 -0.02928 0.00000 0.11194 -0.11044
|
|
141 18F-2 0.00000 0.06078 0.00000 0.01818 0.03213
|
|
142 18F+3 0.14309 0.00000 0.29927 0.00000 0.00000
|
|
143 18F-3 -0.02402 0.00000 -0.00213 0.00000 0.00000
|
|
144 19F 0 0.00000 0.08032 0.00000 -0.01413 -0.06982
|
|
145 19F+1 0.04703 0.00000 -0.06030 0.00000 0.00000
|
|
146 19F-1 0.00077 0.00000 -0.00986 0.00000 0.00000
|
|
147 19F+2 0.00000 0.18876 0.00000 -0.10296 0.01811
|
|
148 19F-2 0.00000 -0.01748 0.00000 -0.02090 0.00408
|
|
149 19F+3 -0.16535 0.00000 0.16047 0.00000 0.00000
|
|
150 19F-3 0.02606 0.00000 -0.04979 0.00000 0.00000
|
|
151 20F 0 0.00000 -0.01379 0.00000 -0.02848 0.04265
|
|
152 20F+1 0.01742 0.00000 -0.03117 0.00000 0.00000
|
|
153 20F-1 0.00839 0.00000 0.03601 0.00000 0.00000
|
|
154 20F+2 0.00000 -0.02860 0.00000 0.07561 -0.03290
|
|
155 20F-2 0.00000 -0.00451 0.00000 -0.00238 0.00007
|
|
156 20F+3 0.00892 0.00000 -0.01636 0.00000 0.00000
|
|
157 20F-3 0.03623 0.00000 0.05133 0.00000 0.00000
|
|
158 21G 0 -0.00048 0.00000 0.02681 0.00000 0.00000
|
|
159 21G+1 0.00000 -0.09765 0.00000 -0.02060 -0.00291
|
|
160 21G-1 0.00000 0.01602 0.00000 -0.00804 -0.04160
|
|
161 21G+2 0.02077 0.00000 0.05264 0.00000 0.00000
|
|
162 21G-2 -0.04217 0.00000 0.01141 0.00000 0.00000
|
|
163 21G+3 0.00000 -0.06847 0.00000 -0.00105 -0.04338
|
|
164 21G-3 0.00000 0.05745 0.00000 -0.00594 0.00956
|
|
165 21G+4 -0.04991 0.00000 0.16829 0.00000 0.00000
|
|
166 21G-4 0.03375 0.00000 0.16585 0.00000 0.00000
|
|
167 22G 0 -0.03167 0.00000 0.02568 0.00000 0.00000
|
|
168 22G+1 0.00000 -0.00831 0.00000 -0.11766 0.05314
|
|
169 22G-1 0.00000 0.05588 0.00000 0.00584 -0.00635
|
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170 22G+2 0.01466 0.00000 -0.04053 0.00000 0.00000
|
|
171 22G-2 -0.03535 0.00000 0.00125 0.00000 0.00000
|
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172 22G+3 0.00000 0.02327 0.00000 0.11172 -0.03571
|
|
173 22G-3 0.00000 0.01265 0.00000 -0.04474 0.01453
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174 22G+4 0.00422 0.00000 0.03137 0.00000 0.00000
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175 22G-4 0.02546 0.00000 -0.03817 0.00000 0.00000
|
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176 23H 0 0.00000 0.05840 0.00000 0.10396 -0.00705
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177 23H+1 -0.01304 0.00000 0.01514 0.00000 0.00000
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178 23H-1 0.04934 0.00000 0.00734 0.00000 0.00000
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|
179 23H+2 0.00000 -0.07842 0.00000 -0.11468 0.06291
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|
180 23H-2 0.00000 -0.00522 0.00000 0.03093 -0.01670
|
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181 23H+3 -0.00057 0.00000 0.00059 0.00000 0.00000
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|
182 23H-3 -0.08779 0.00000 0.06222 0.00000 0.00000
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183 23H+4 0.00000 -0.09067 0.00000 0.09610 -0.08400
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|
184 23H-4 0.00000 -0.00294 0.00000 -0.04878 0.03165
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185 23H+5 0.00926 0.00000 0.02394 0.00000 0.00000
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186 23H-5 0.00202 0.00000 0.10550 0.00000 0.00000
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187 3 H 1S -0.01785 0.00000 -0.02939 0.00000 0.00000
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188 2S -0.06543 0.00000 0.16655 0.00000 0.00000
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189 3S 0.64718 0.00000 -0.72505 0.00000 0.00000
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190 4S 0.64270 0.00000 -0.43568 0.00000 0.00000
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191 5S -0.00149 0.00000 0.04427 0.00000 0.00000
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192 6PX -0.01138 0.00000 0.01393 0.00000 0.00000
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193 6PY -0.00850 0.00000 -0.00736 0.00000 0.00000
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194 6PZ 0.00000 0.00314 0.00000 -0.05235 0.01928
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195 7PX 0.02950 0.00000 -0.05881 0.00000 0.00000
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196 7PY -0.00274 0.00000 0.02352 0.00000 0.00000
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197 7PZ 0.00000 0.01549 0.00000 0.02463 -0.01345
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|
198 8PX -0.33899 0.00000 0.37840 0.00000 0.00000
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|
199 8PY 0.03290 0.00000 -0.19241 0.00000 0.00000
|
|
200 8PZ 0.00000 -0.08019 0.00000 -0.13119 0.08309
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201 9PX -0.29191 0.00000 0.27542 0.00000 0.00000
|
|
202 9PY 0.07970 0.00000 -0.00811 0.00000 0.00000
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|
203 9PZ 0.00000 -0.07066 0.00000 -0.03814 0.03617
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|
204 10D 0 -0.09059 0.00000 0.10418 0.00000 0.00000
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205 10D+1 0.00000 0.04492 0.00000 0.43917 -0.18626
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|
206 10D-1 0.00000 0.07678 0.00000 -0.05598 0.03197
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|
207 10D+2 -0.00170 0.00000 -0.02771 0.00000 0.00000
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|
208 10D-2 0.08082 0.00000 0.07556 0.00000 0.00000
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|
209 11D 0 0.02822 0.00000 -0.03540 0.00000 0.00000
|
|
210 11D+1 0.00000 -0.01477 0.00000 -0.19534 0.08001
|
|
211 11D-1 0.00000 -0.04283 0.00000 0.02503 -0.01442
|
|
212 11D+2 0.04973 0.00000 -0.01538 0.00000 0.00000
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|
213 11D-2 -0.04392 0.00000 -0.00191 0.00000 0.00000
|
|
214 12D 0 -0.04779 0.00000 0.05610 0.00000 0.00000
|
|
215 12D+1 0.00000 0.07255 0.00000 0.02706 -0.02786
|
|
216 12D-1 0.00000 -0.03525 0.00000 -0.00594 -0.00642
|
|
217 12D+2 0.08556 0.00000 -0.15618 0.00000 0.00000
|
|
218 12D-2 -0.00684 0.00000 0.11675 0.00000 0.00000
|
|
219 13F 0 0.00000 -0.28489 0.00000 0.57837 -0.28782
|
|
220 13F+1 0.09148 0.00000 -0.11419 0.00000 0.00000
|
|
221 13F-1 -0.35968 0.00000 0.23971 0.00000 0.00000
|
|
222 13F+2 0.00000 -0.37533 0.00000 -0.69409 0.25470
|
|
223 13F-2 0.00000 -0.03274 0.00000 0.18135 -0.05880
|
|
224 13F+3 -0.08599 0.00000 0.02283 0.00000 0.00000
|
|
225 13F-3 -0.31315 0.00000 -0.07388 0.00000 0.00000
|
|
226 14F 0 0.00000 0.19428 0.00000 -0.26174 0.14331
|
|
227 14F+1 -0.02380 0.00000 0.02867 0.00000 0.00000
|
|
228 14F-1 0.21587 0.00000 -0.13249 0.00000 0.00000
|
|
229 14F+2 0.00000 0.19618 0.00000 0.31372 -0.10233
|
|
230 14F-2 0.00000 0.01636 0.00000 -0.08204 0.02448
|
|
231 14F+3 0.01695 0.00000 0.01964 0.00000 0.00000
|
|
232 14F-3 0.15875 0.00000 -0.01502 0.00000 0.00000
|
|
233 15G 0 0.02283 0.00000 -0.03727 0.00000 0.00000
|
|
234 15G+1 0.00000 -0.39652 0.00000 -0.31174 0.02505
|
|
235 15G-1 0.00000 0.06663 0.00000 0.03081 -0.00931
|
|
236 15G+2 -0.19698 0.00000 0.11502 0.00000 0.00000
|
|
237 15G-2 -0.40480 0.00000 0.24665 0.00000 0.00000
|
|
238 15G+3 0.00000 -0.34270 0.00000 0.22259 -0.21191
|
|
239 15G-3 0.00000 0.24125 0.00000 -0.09543 0.09241
|
|
240 15G+4 -0.07117 0.00000 0.08395 0.00000 0.00000
|
|
241 15G-4 -0.05020 0.00000 0.12526 0.00000 0.00000
|
|
242 4 H 1S 0.12699 0.00000 -0.18903 0.00000 0.00000
|
|
243 2S -0.87894 0.00000 0.44898 0.00000 0.00000
|
|
244 3S 4.20451 0.00000 -3.62764 0.00000 0.00000
|
|
245 4S 3.32230 0.00000 -0.43816 0.00000 0.00000
|
|
246 5S -0.14219 0.00000 -0.15329 0.00000 0.00000
|
|
247 6PX 0.00692 0.00000 0.04712 0.00000 0.00000
|
|
248 6PY -0.00591 0.00000 -0.01241 0.00000 0.00000
|
|
249 6PZ 0.00000 0.00686 0.00000 -0.00186 -0.01780
|
|
250 7PX -0.23362 0.00000 0.01779 0.00000 0.00000
|
|
251 7PY 0.03973 0.00000 -0.01616 0.00000 0.00000
|
|
252 7PZ 0.00000 -0.00011 0.00000 -0.00195 -0.01285
|
|
253 8PX 2.22595 0.00000 -1.42195 0.00000 0.00000
|
|
254 8PY -0.08767 0.00000 0.08227 0.00000 0.00000
|
|
255 8PZ 0.00000 -0.75628 0.00000 -0.04256 -0.18601
|
|
256 9PX 1.51201 0.00000 -0.62344 0.00000 0.00000
|
|
257 9PY -0.27114 0.00000 0.02906 0.00000 0.00000
|
|
258 9PZ 0.00000 -0.20335 0.00000 -0.11523 0.00385
|
|
259 10D 0 0.03576 0.00000 -0.00370 0.00000 0.00000
|
|
260 10D+1 0.00000 0.00507 0.00000 0.01690 -0.01451
|
|
261 10D-1 0.00000 0.00836 0.00000 -0.04573 -0.13887
|
|
262 10D+2 -0.05077 0.00000 0.04157 0.00000 0.00000
|
|
263 10D-2 0.03539 0.00000 0.02067 0.00000 0.00000
|
|
264 11D 0 -0.18587 0.00000 0.09125 0.00000 0.00000
|
|
265 11D+1 0.00000 -0.22388 0.00000 -0.02865 -0.10292
|
|
266 11D-1 0.00000 0.05022 0.00000 0.03848 0.09464
|
|
267 11D+2 0.39612 0.00000 -0.23511 0.00000 0.00000
|
|
268 11D-2 -0.07436 0.00000 -0.02593 0.00000 0.00000
|
|
269 12D 0 -0.35042 0.00000 0.06432 0.00000 0.00000
|
|
270 12D+1 0.00000 -0.31173 0.00000 -0.04985 -0.11044
|
|
271 12D-1 0.00000 0.03392 0.00000 0.01838 -0.06699
|
|
272 12D+2 0.75225 0.00000 -0.29679 0.00000 0.00000
|
|
273 12D-2 -0.08543 0.00000 0.02303 0.00000 0.00000
|
|
274 13F 0 0.00000 -0.25484 0.00000 0.28408 0.25000
|
|
275 13F+1 0.27272 0.00000 0.21945 0.00000 0.00000
|
|
276 13F-1 0.65734 0.00000 0.66303 0.00000 0.00000
|
|
277 13F+2 0.00000 -0.04950 0.00000 0.17206 0.16377
|
|
278 13F-2 0.00000 0.10380 0.00000 -0.11836 -0.27074
|
|
279 13F+3 -0.00994 0.00000 0.22313 0.00000 0.00000
|
|
280 13F-3 0.13719 0.00000 0.07928 0.00000 0.00000
|
|
281 14F 0 0.00000 0.21598 0.00000 -0.15246 -0.10202
|
|
282 14F+1 -0.29000 0.00000 -0.09422 0.00000 0.00000
|
|
283 14F-1 -0.35780 0.00000 -0.37466 0.00000 0.00000
|
|
284 14F+2 0.00000 -0.05577 0.00000 -0.10706 -0.18407
|
|
285 14F-2 0.00000 -0.02448 0.00000 0.08050 0.13302
|
|
286 14F+3 0.27395 0.00000 -0.23041 0.00000 0.00000
|
|
287 14F-3 -0.16907 0.00000 -0.02359 0.00000 0.00000
|
|
288 15G 0 0.01270 0.00000 -0.13309 0.00000 0.00000
|
|
289 15G+1 0.00000 0.06031 0.00000 -0.10370 -0.18935
|
|
290 15G-1 0.00000 0.03707 0.00000 0.03934 0.13625
|
|
291 15G+2 -0.02563 0.00000 0.01672 0.00000 0.00000
|
|
292 15G-2 0.01204 0.00000 0.12644 0.00000 0.00000
|
|
293 15G+3 0.00000 -0.05733 0.00000 -0.07573 -0.15905
|
|
294 15G-3 0.00000 0.04713 0.00000 0.08824 0.24740
|
|
295 15G+4 0.04589 0.00000 -0.02035 0.00000 0.00000
|
|
296 15G-4 -0.02509 0.00000 0.06446 0.00000 0.00000
|
|
297 5 H 1S -0.12506 0.03735 -0.13564 -0.03293 0.04183
|
|
298 2S 0.61459 -0.34618 0.16390 0.19166 -0.22525
|
|
299 3S -2.92109 2.48401 -3.09912 -0.92419 0.74637
|
|
300 4S -1.65158 1.45541 0.19243 -0.79629 0.66588
|
|
301 5S 0.05178 -0.04956 -0.04647 -0.03851 0.01881
|
|
302 6PX -0.00763 0.00247 -0.01714 -0.00584 -0.01603
|
|
303 6PY -0.00299 0.00384 -0.00669 -0.00767 0.00143
|
|
304 6PZ -0.00414 -0.00462 -0.03086 0.00370 0.00827
|
|
305 7PX -0.08218 0.04893 0.04343 -0.03034 0.01326
|
|
306 7PY -0.04519 0.04944 0.02511 -0.03224 0.02152
|
|
307 7PZ -0.09793 0.06339 0.06425 -0.03308 0.06554
|
|
308 8PX 1.33594 -0.36930 0.49096 0.23071 -0.41950
|
|
309 8PY 0.35530 -0.12025 -0.01243 0.21722 -0.11089
|
|
310 8PZ 0.89477 -1.03876 0.60214 0.42428 -0.33605
|
|
311 9PX 0.65241 -0.27000 0.09291 0.24172 -0.19360
|
|
312 9PY 0.33192 -0.12625 -0.07747 0.21617 -0.15059
|
|
313 9PZ 0.57219 -0.53545 -0.10013 0.30621 -0.32577
|
|
314 10D 0 0.00127 -0.02398 -0.00350 0.00331 -0.02332
|
|
315 10D+1 0.04468 0.03176 0.00678 0.00726 -0.00192
|
|
316 10D-1 0.02882 -0.00894 -0.03941 0.02142 0.03891
|
|
317 10D+2 -0.00160 -0.02172 0.01997 0.00155 0.01615
|
|
318 10D-2 -0.01760 -0.03531 -0.04192 -0.02561 -0.09360
|
|
319 11D 0 -0.00439 0.18183 -0.03877 -0.07786 0.00198
|
|
320 11D+1 -0.31868 0.03982 -0.08674 -0.04795 0.12456
|
|
321 11D-1 -0.07936 0.00284 0.07904 -0.04907 -0.00819
|
|
322 11D+2 -0.13729 0.05021 -0.06785 -0.01107 0.05487
|
|
323 11D-2 -0.10705 -0.01582 0.02584 0.00753 0.10686
|
|
324 12D 0 -0.00362 0.24819 0.08785 -0.10549 0.07874
|
|
325 12D+1 -0.52633 0.13004 0.09206 -0.10907 0.22125
|
|
326 12D-1 -0.16601 0.02578 0.19204 -0.12750 0.10735
|
|
327 12D+2 -0.23055 0.10145 -0.09019 -0.03744 0.08192
|
|
328 12D-2 -0.18591 0.03809 0.06232 -0.10810 0.03389
|
|
329 13F 0 0.13809 -0.04929 -0.09285 -0.00384 0.04737
|
|
330 13F+1 -0.13855 0.09102 0.13403 0.00734 0.13610
|
|
331 13F-1 -0.02671 0.06723 0.11739 -0.09627 -0.17470
|
|
332 13F+2 -0.04785 -0.08065 -0.04535 -0.06098 -0.22799
|
|
333 13F-2 0.05767 -0.32235 -0.22817 0.02731 0.13391
|
|
334 13F+3 0.03327 -0.18256 -0.23877 0.05326 0.24808
|
|
335 13F-3 -0.18147 0.41261 0.32234 0.01057 0.18691
|
|
336 14F 0 -0.15451 -0.04931 0.06361 0.04203 -0.00309
|
|
337 14F+1 0.21676 -0.08439 -0.12318 0.03146 -0.15748
|
|
338 14F-1 0.06069 -0.04936 -0.14712 0.09855 0.06534
|
|
339 14F+2 0.15627 0.00421 0.04576 0.04742 0.07552
|
|
340 14F-2 0.08665 0.19768 0.07840 0.01953 -0.12418
|
|
341 14F+3 0.00593 0.06575 0.15079 -0.02917 -0.17056
|
|
342 14F-3 0.16318 -0.23890 -0.18637 0.01388 -0.13290
|
|
343 15G 0 0.04197 0.01374 0.04348 0.01148 0.00439
|
|
344 15G+1 0.00652 0.00806 -0.04749 0.04067 0.12412
|
|
345 15G-1 -0.01075 0.00466 -0.04206 -0.08564 -0.16496
|
|
346 15G+2 -0.08957 0.02430 -0.05473 -0.08850 -0.15740
|
|
347 15G-2 -0.06054 -0.02347 0.08186 0.00813 0.07424
|
|
348 15G+3 0.00586 0.01083 0.06508 0.03175 0.04178
|
|
349 15G-3 0.05690 -0.03730 -0.02655 0.01269 0.03739
|
|
350 15G+4 0.02583 -0.02372 -0.00514 0.04844 0.06945
|
|
351 15G-4 -0.12297 -0.02730 -0.07447 0.10517 0.24435
|
|
352 6 H 1S -0.12506 -0.03735 -0.13564 0.03293 -0.04183
|
|
353 2S 0.61459 0.34618 0.16390 -0.19166 0.22525
|
|
354 3S -2.92109 -2.48401 -3.09912 0.92419 -0.74637
|
|
355 4S -1.65158 -1.45541 0.19243 0.79629 -0.66588
|
|
356 5S 0.05178 0.04956 -0.04647 0.03851 -0.01881
|
|
357 6PX -0.00763 -0.00247 -0.01714 0.00584 0.01603
|
|
358 6PY -0.00299 -0.00384 -0.00669 0.00767 -0.00143
|
|
359 6PZ 0.00414 -0.00462 0.03086 0.00370 0.00827
|
|
360 7PX -0.08218 -0.04893 0.04343 0.03034 -0.01326
|
|
361 7PY -0.04519 -0.04944 0.02511 0.03224 -0.02152
|
|
362 7PZ 0.09793 0.06339 -0.06425 -0.03308 0.06554
|
|
363 8PX 1.33594 0.36930 0.49096 -0.23071 0.41950
|
|
364 8PY 0.35530 0.12025 -0.01243 -0.21722 0.11089
|
|
365 8PZ -0.89477 -1.03876 -0.60214 0.42428 -0.33605
|
|
366 9PX 0.65241 0.27000 0.09291 -0.24172 0.19360
|
|
367 9PY 0.33192 0.12625 -0.07747 -0.21617 0.15059
|
|
368 9PZ -0.57219 -0.53545 0.10013 0.30621 -0.32577
|
|
369 10D 0 0.00127 0.02398 -0.00350 -0.00331 0.02332
|
|
370 10D+1 -0.04468 0.03176 -0.00678 0.00726 -0.00192
|
|
371 10D-1 -0.02882 -0.00894 0.03941 0.02142 0.03891
|
|
372 10D+2 -0.00160 0.02172 0.01997 -0.00155 -0.01615
|
|
373 10D-2 -0.01760 0.03531 -0.04192 0.02561 0.09360
|
|
374 11D 0 -0.00439 -0.18183 -0.03877 0.07786 -0.00198
|
|
375 11D+1 0.31868 0.03982 0.08674 -0.04795 0.12456
|
|
376 11D-1 0.07936 0.00284 -0.07904 -0.04907 -0.00819
|
|
377 11D+2 -0.13729 -0.05021 -0.06785 0.01107 -0.05487
|
|
378 11D-2 -0.10705 0.01582 0.02584 -0.00753 -0.10686
|
|
379 12D 0 -0.00362 -0.24819 0.08785 0.10549 -0.07874
|
|
380 12D+1 0.52633 0.13004 -0.09206 -0.10907 0.22125
|
|
381 12D-1 0.16601 0.02578 -0.19204 -0.12750 0.10735
|
|
382 12D+2 -0.23055 -0.10145 -0.09019 0.03744 -0.08192
|
|
383 12D-2 -0.18591 -0.03809 0.06232 0.10810 -0.03389
|
|
384 13F 0 -0.13809 -0.04929 0.09285 -0.00384 0.04737
|
|
385 13F+1 -0.13855 -0.09102 0.13403 -0.00734 -0.13610
|
|
386 13F-1 -0.02671 -0.06723 0.11739 0.09627 0.17470
|
|
387 13F+2 0.04785 -0.08065 0.04535 -0.06098 -0.22799
|
|
388 13F-2 -0.05767 -0.32235 0.22817 0.02731 0.13391
|
|
389 13F+3 0.03327 0.18256 -0.23877 -0.05326 -0.24808
|
|
390 13F-3 -0.18147 -0.41261 0.32234 -0.01057 -0.18691
|
|
391 14F 0 0.15451 -0.04931 -0.06361 0.04203 -0.00309
|
|
392 14F+1 0.21676 0.08439 -0.12318 -0.03146 0.15748
|
|
393 14F-1 0.06069 0.04936 -0.14712 -0.09855 -0.06534
|
|
394 14F+2 -0.15627 0.00421 -0.04576 0.04742 0.07552
|
|
395 14F-2 -0.08665 0.19768 -0.07840 0.01953 -0.12418
|
|
396 14F+3 0.00593 -0.06575 0.15079 0.02917 0.17056
|
|
397 14F-3 0.16318 0.23890 -0.18637 -0.01388 0.13290
|
|
398 15G 0 0.04197 -0.01374 0.04348 -0.01148 -0.00439
|
|
399 15G+1 -0.00652 0.00806 0.04749 0.04067 0.12412
|
|
400 15G-1 0.01075 0.00466 0.04206 -0.08564 -0.16496
|
|
401 15G+2 -0.08957 -0.02430 -0.05473 0.08850 0.15740
|
|
402 15G-2 -0.06054 0.02347 0.08186 -0.00813 -0.07424
|
|
403 15G+3 -0.00586 0.01083 -0.06508 0.03175 0.04178
|
|
404 15G-3 -0.05690 -0.03730 0.02655 0.01269 0.03739
|
|
405 15G+4 0.02583 0.02372 -0.00514 -0.04844 -0.06945
|
|
406 15G-4 -0.12297 0.02730 -0.07447 -0.10517 -0.24435
|
|
321 322 323 324 325
|
|
V V V V V
|
|
Eigenvalues -- 13.09812 13.12101 13.14460 13.19906 13.31042
|
|
1 1 C 1S 0.00361 0.00000 -0.00240 0.00324 0.00220
|
|
2 2S -0.03135 0.00000 -0.00696 -0.03906 -0.02293
|
|
3 3S -0.33524 0.00000 0.00741 -0.81150 -0.09690
|
|
4 4S 1.42328 0.00000 0.60099 5.37287 0.50968
|
|
5 5S 0.55848 0.00000 -3.57733 -3.83172 -1.92493
|
|
6 6S 0.74820 0.00000 -1.14489 2.44441 -0.36836
|
|
7 7PX -0.25878 0.00000 -0.18399 0.08561 0.01043
|
|
8 7PY -0.23573 0.00000 0.27009 -0.61095 0.11748
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266 11D-1 0.00000 0.00254 0.00000 0.00000 0.00000
|
|
267 11D+2 0.46421 0.00000 0.15700 -0.12275 -0.14313
|
|
268 11D-2 -0.00780 0.00000 -0.13136 0.34059 -0.07386
|
|
269 12D 0 -0.30759 0.00000 -0.37614 0.46138 0.10023
|
|
270 12D+1 0.00000 0.12701 0.00000 0.00000 0.00000
|
|
271 12D-1 0.00000 0.01747 0.00000 0.00000 0.00000
|
|
272 12D+2 0.81493 0.00000 0.65007 -0.34920 -0.44217
|
|
273 12D-2 -0.17288 0.00000 -0.38017 0.97956 0.00215
|
|
274 13F 0 0.00000 0.38466 0.00000 0.00000 0.00000
|
|
275 13F+1 0.14334 0.00000 0.15160 -0.24119 -0.14949
|
|
276 13F-1 -0.00322 0.00000 -0.39624 -0.05457 0.00824
|
|
277 13F+2 0.00000 0.15194 0.00000 0.00000 0.00000
|
|
278 13F-2 0.00000 -0.02983 0.00000 0.00000 0.00000
|
|
279 13F+3 -0.23848 0.00000 -0.08417 -0.07459 0.18869
|
|
280 13F-3 0.06349 0.00000 -0.02347 -0.26210 0.11567
|
|
281 14F 0 0.00000 -0.29926 0.00000 0.00000 0.00000
|
|
282 14F+1 -0.20744 0.00000 -0.26416 0.39039 0.10952
|
|
283 14F-1 -0.00924 0.00000 0.28413 -0.08697 -0.01361
|
|
284 14F+2 0.00000 0.00948 0.00000 0.00000 0.00000
|
|
285 14F-2 0.00000 0.05634 0.00000 0.00000 0.00000
|
|
286 14F+3 0.49668 0.00000 0.26882 0.01517 -0.30384
|
|
287 14F-3 -0.12939 0.00000 -0.19267 0.56366 -0.04407
|
|
288 15G 0 0.04403 0.00000 0.10370 -0.11030 -0.06072
|
|
289 15G+1 0.00000 -0.08862 0.00000 0.00000 0.00000
|
|
290 15G-1 0.00000 -0.17779 0.00000 0.00000 0.00000
|
|
291 15G+2 -0.08884 0.00000 0.00396 -0.00525 -0.08526
|
|
292 15G-2 0.02877 0.00000 0.04628 -0.09359 -0.17660
|
|
293 15G+3 0.00000 -0.04712 0.00000 0.00000 0.00000
|
|
294 15G-3 0.00000 0.02468 0.00000 0.00000 0.00000
|
|
295 15G+4 0.02447 0.00000 0.04831 -0.06480 -0.13990
|
|
296 15G-4 -0.08852 0.00000 -0.06233 0.01413 -0.01265
|
|
297 5 H 1S -0.10700 -0.18918 -0.00346 -0.06712 0.04679
|
|
298 2S 0.68905 1.14057 0.07839 0.45402 -0.24913
|
|
299 3S -1.61671 -3.43456 0.05997 2.11443 0.96823
|
|
300 4S -1.38113 -2.68554 -0.53557 -0.18677 0.59176
|
|
301 5S -0.12193 -0.12808 -0.03067 -0.14511 -0.02770
|
|
302 6PX 0.00100 -0.00715 0.01119 0.00352 0.00194
|
|
303 6PY -0.00702 -0.01687 -0.00032 0.00322 0.00934
|
|
304 6PZ -0.00143 0.00282 0.00312 0.00124 0.00444
|
|
305 7PX -0.11173 -0.16585 -0.02859 -0.07503 0.00721
|
|
306 7PY -0.09412 -0.13056 -0.01352 -0.10347 0.03467
|
|
307 7PZ -0.16999 -0.32785 -0.05959 -0.15397 0.06751
|
|
308 8PX 0.77204 1.21082 -0.14550 -0.40720 -0.32642
|
|
309 8PY 0.60146 0.69572 -0.06630 0.76068 -0.19893
|
|
310 8PZ 0.92776 2.18312 0.44747 -0.23945 -0.40752
|
|
311 9PX 0.50013 0.96016 -0.06603 -0.11056 -0.13256
|
|
312 9PY 0.44236 0.57266 -0.01010 0.63384 -0.20339
|
|
313 9PZ 0.69532 1.60827 0.53002 0.19043 -0.34106
|
|
314 10D 0 0.04956 0.03788 0.00322 0.01021 0.00547
|
|
315 10D+1 0.03784 0.09852 0.00658 0.06002 -0.11038
|
|
316 10D-1 0.01147 0.04952 -0.00421 0.02891 0.09548
|
|
317 10D+2 -0.01912 -0.01699 -0.01128 -0.05333 0.04746
|
|
318 10D-2 0.03811 -0.01764 0.00827 -0.02050 -0.05838
|
|
319 11D 0 -0.10906 -0.35675 -0.09562 0.01264 0.00004
|
|
320 11D+1 -0.24209 -0.37401 -0.00377 0.00070 0.18164
|
|
321 11D-1 -0.15534 -0.20737 -0.00105 -0.24105 -0.03195
|
|
322 11D+2 -0.04890 -0.10120 -0.00682 0.18931 0.04641
|
|
323 11D-2 -0.11835 -0.10575 0.03700 -0.07415 0.07646
|
|
324 12D 0 -0.21316 -0.87195 -0.33902 -0.07190 0.10048
|
|
325 12D+1 -0.52487 -0.86283 -0.06904 -0.07886 0.18591
|
|
326 12D-1 -0.44545 -0.57385 -0.07144 -0.74567 0.11111
|
|
327 12D+2 -0.15482 -0.27591 -0.05198 0.38817 -0.02112
|
|
328 12D-2 -0.27166 -0.35722 -0.00687 -0.34166 0.09784
|
|
329 13F 0 0.06469 -0.14209 -0.10334 0.13050 0.03807
|
|
330 13F+1 -0.07348 -0.29476 -0.00685 -0.08568 0.11962
|
|
331 13F-1 -0.14857 -0.10588 0.03271 -0.11882 -0.10696
|
|
332 13F+2 -0.21140 -0.03087 -0.13720 0.25154 0.04243
|
|
333 13F-2 -0.07082 -0.20941 -0.08732 -0.06324 0.10167
|
|
334 13F+3 0.23367 -0.16834 -0.01642 0.07541 -0.24947
|
|
335 13F-3 0.04730 0.10703 0.04977 -0.02816 -0.13651
|
|
336 14F 0 -0.08285 0.32260 0.13088 -0.13941 -0.00405
|
|
337 14F+1 0.23634 0.51914 0.05230 0.13975 -0.13921
|
|
338 14F-1 0.25927 0.32506 0.03373 0.29089 0.01480
|
|
339 14F+2 0.22342 0.17405 0.13400 -0.35348 -0.09241
|
|
340 14F-2 0.21398 0.36851 0.05579 0.23908 -0.12104
|
|
341 14F+3 -0.12792 0.12567 0.04485 -0.18687 0.14656
|
|
342 14F-3 0.03945 0.06018 -0.02181 0.01364 0.07094
|
|
343 15G 0 0.03931 0.03403 -0.01564 -0.01694 -0.00328
|
|
344 15G+1 -0.04046 -0.09926 0.00332 -0.03129 -0.06248
|
|
345 15G-1 -0.00904 -0.07156 -0.04240 0.01556 0.08089
|
|
346 15G+2 -0.04345 -0.04446 -0.03211 -0.02477 0.13714
|
|
347 15G-2 -0.09042 -0.08963 -0.04235 -0.03081 0.07034
|
|
348 15G+3 -0.00121 0.06575 0.00731 0.03828 -0.05664
|
|
349 15G-3 0.04942 -0.10224 0.07404 0.01465 -0.09440
|
|
350 15G+4 -0.00063 -0.05279 0.07120 -0.05410 0.01688
|
|
351 15G-4 -0.04307 0.06930 -0.05200 0.02996 -0.00595
|
|
352 6 H 1S -0.10700 0.18918 -0.00346 -0.06712 0.04679
|
|
353 2S 0.68905 -1.14057 0.07839 0.45402 -0.24913
|
|
354 3S -1.61671 3.43456 0.05997 2.11443 0.96823
|
|
355 4S -1.38113 2.68554 -0.53557 -0.18677 0.59176
|
|
356 5S -0.12193 0.12808 -0.03067 -0.14511 -0.02770
|
|
357 6PX 0.00100 0.00715 0.01119 0.00352 0.00194
|
|
358 6PY -0.00702 0.01687 -0.00032 0.00322 0.00934
|
|
359 6PZ 0.00143 0.00282 -0.00312 -0.00124 -0.00444
|
|
360 7PX -0.11173 0.16585 -0.02859 -0.07503 0.00721
|
|
361 7PY -0.09412 0.13056 -0.01352 -0.10347 0.03467
|
|
362 7PZ 0.16999 -0.32785 0.05959 0.15397 -0.06751
|
|
363 8PX 0.77204 -1.21082 -0.14550 -0.40720 -0.32642
|
|
364 8PY 0.60146 -0.69572 -0.06630 0.76068 -0.19893
|
|
365 8PZ -0.92776 2.18312 -0.44747 0.23945 0.40752
|
|
366 9PX 0.50013 -0.96016 -0.06603 -0.11056 -0.13256
|
|
367 9PY 0.44236 -0.57266 -0.01010 0.63384 -0.20339
|
|
368 9PZ -0.69532 1.60827 -0.53002 -0.19043 0.34106
|
|
369 10D 0 0.04956 -0.03788 0.00322 0.01021 0.00547
|
|
370 10D+1 -0.03784 0.09852 -0.00658 -0.06002 0.11038
|
|
371 10D-1 -0.01147 0.04952 0.00421 -0.02891 -0.09548
|
|
372 10D+2 -0.01912 0.01699 -0.01128 -0.05333 0.04746
|
|
373 10D-2 0.03811 0.01764 0.00827 -0.02050 -0.05838
|
|
374 11D 0 -0.10906 0.35675 -0.09562 0.01264 0.00004
|
|
375 11D+1 0.24209 -0.37401 0.00377 -0.00070 -0.18164
|
|
376 11D-1 0.15534 -0.20737 0.00105 0.24105 0.03195
|
|
377 11D+2 -0.04890 0.10120 -0.00682 0.18931 0.04641
|
|
378 11D-2 -0.11835 0.10575 0.03700 -0.07415 0.07646
|
|
379 12D 0 -0.21316 0.87195 -0.33902 -0.07190 0.10048
|
|
380 12D+1 0.52487 -0.86283 0.06904 0.07886 -0.18591
|
|
381 12D-1 0.44545 -0.57385 0.07144 0.74567 -0.11111
|
|
382 12D+2 -0.15482 0.27591 -0.05198 0.38817 -0.02112
|
|
383 12D-2 -0.27166 0.35722 -0.00687 -0.34166 0.09784
|
|
384 13F 0 -0.06469 -0.14209 0.10334 -0.13050 -0.03807
|
|
385 13F+1 -0.07348 0.29476 -0.00685 -0.08568 0.11962
|
|
386 13F-1 -0.14857 0.10588 0.03271 -0.11882 -0.10696
|
|
387 13F+2 0.21140 -0.03087 0.13720 -0.25154 -0.04243
|
|
388 13F-2 0.07082 -0.20941 0.08732 0.06324 -0.10167
|
|
389 13F+3 0.23367 0.16834 -0.01642 0.07541 -0.24947
|
|
390 13F-3 0.04730 -0.10703 0.04977 -0.02816 -0.13651
|
|
391 14F 0 0.08285 0.32260 -0.13088 0.13941 0.00405
|
|
392 14F+1 0.23634 -0.51914 0.05230 0.13975 -0.13921
|
|
393 14F-1 0.25927 -0.32506 0.03373 0.29089 0.01480
|
|
394 14F+2 -0.22342 0.17405 -0.13400 0.35348 0.09241
|
|
395 14F-2 -0.21398 0.36851 -0.05579 -0.23908 0.12104
|
|
396 14F+3 -0.12792 -0.12567 0.04485 -0.18687 0.14656
|
|
397 14F-3 0.03945 -0.06018 -0.02181 0.01364 0.07094
|
|
398 15G 0 0.03931 -0.03403 -0.01564 -0.01694 -0.00328
|
|
399 15G+1 0.04046 -0.09926 -0.00332 0.03129 0.06248
|
|
400 15G-1 0.00904 -0.07156 0.04240 -0.01556 -0.08089
|
|
401 15G+2 -0.04345 0.04446 -0.03211 -0.02477 0.13714
|
|
402 15G-2 -0.09042 0.08963 -0.04235 -0.03081 0.07034
|
|
403 15G+3 0.00121 0.06575 -0.00731 -0.03828 0.05664
|
|
404 15G-3 -0.04942 -0.10224 -0.07404 -0.01465 0.09440
|
|
405 15G+4 -0.00063 0.05279 0.07120 -0.05410 0.01688
|
|
406 15G-4 -0.04307 -0.06930 -0.05200 0.02996 -0.00595
|
|
326 327 328 329 330
|
|
V V V V V
|
|
Eigenvalues -- 13.35541 13.36683 13.42170 13.43473 13.45302
|
|
1 1 C 1S 0.00000 -0.00381 -0.00087 0.00000 0.00205
|
|
2 2S 0.00000 0.02431 -0.00851 0.00000 0.00261
|
|
3 3S 0.00000 0.07370 0.23115 0.00000 -0.07712
|
|
4 4S 0.00000 -0.38190 -1.71359 0.00000 0.80970
|
|
5 5S 0.00000 2.39405 -0.49086 0.00000 -0.85444
|
|
6 6S 0.00000 0.51257 -1.91690 0.00000 0.87141
|
|
7 7PX 0.00000 -0.09017 -0.01836 0.00000 0.08129
|
|
8 7PY 0.00000 -0.08938 0.20059 0.00000 -0.07740
|
|
9 7PZ -0.07269 0.00000 0.00000 0.05074 0.00000
|
|
10 8PX 0.00000 0.33966 0.08372 0.00000 -0.25021
|
|
11 8PY 0.00000 0.30182 -0.96591 0.00000 0.40687
|
|
12 8PZ 0.22900 0.00000 0.00000 -0.08584 0.00000
|
|
13 9PX 0.00000 1.85796 -0.01863 0.00000 -0.52450
|
|
14 9PY 0.00000 0.06783 1.21410 0.00000 -0.96819
|
|
15 9PZ 1.32530 0.00000 0.00000 -0.00254 0.00000
|
|
16 10PX 0.00000 1.51940 0.25631 0.00000 0.15493
|
|
17 10PY 0.00000 -0.28139 1.61630 0.00000 -0.97784
|
|
18 10PZ 0.97941 0.00000 0.00000 0.19882 0.00000
|
|
19 11PX 0.00000 0.01735 -0.00756 0.00000 -0.05202
|
|
20 11PY 0.00000 -0.04267 0.21532 0.00000 -0.10535
|
|
21 11PZ 0.07060 0.00000 0.00000 -0.08715 0.00000
|
|
22 12D 0 0.00000 -0.34028 0.09184 0.00000 -0.07858
|
|
23 12D+1 -0.25232 0.00000 0.00000 -0.10380 0.00000
|
|
24 12D-1 -0.20132 0.00000 0.00000 0.35881 0.00000
|
|
25 12D+2 0.00000 0.07758 0.29796 0.00000 -0.13633
|
|
26 12D-2 0.00000 -0.31180 0.11751 0.00000 0.40619
|
|
27 13D 0 0.00000 0.65087 -0.24681 0.00000 0.02023
|
|
28 13D+1 0.42417 0.00000 0.00000 0.07677 0.00000
|
|
29 13D-1 0.33116 0.00000 0.00000 -0.51851 0.00000
|
|
30 13D+2 0.00000 -0.14420 -0.57354 0.00000 0.32460
|
|
31 13D-2 0.00000 0.58717 -0.19355 0.00000 -0.64626
|
|
32 14D 0 0.00000 -0.00252 0.18593 0.00000 0.58370
|
|
33 14D+1 -0.02966 0.00000 0.00000 0.73181 0.00000
|
|
34 14D-1 -0.16944 0.00000 0.00000 1.24459 0.00000
|
|
35 14D+2 0.00000 0.00278 0.05841 0.00000 -0.66514
|
|
36 14D-2 0.00000 -0.53193 0.24302 0.00000 1.08577
|
|
37 15D 0 0.00000 0.25241 0.65316 0.00000 -0.41381
|
|
38 15D+1 0.27205 0.00000 0.00000 -0.29996 0.00000
|
|
39 15D-1 0.69684 0.00000 0.00000 0.54156 0.00000
|
|
40 15D+2 0.00000 -0.48340 0.87760 0.00000 -0.31682
|
|
41 15D-2 0.00000 0.38018 0.37408 0.00000 0.47912
|
|
42 16F 0 -0.00657 0.00000 0.00000 0.02036 0.00000
|
|
43 16F+1 0.00000 0.02911 -0.06783 0.00000 0.00005
|
|
44 16F-1 0.00000 -0.01532 0.00849 0.00000 -0.04471
|
|
45 16F+2 -0.00812 0.00000 0.00000 0.03762 0.00000
|
|
46 16F-2 0.02146 0.00000 0.00000 -0.05033 0.00000
|
|
47 16F+3 0.00000 0.06726 0.00815 0.00000 -0.02637
|
|
48 16F-3 0.00000 -0.03330 0.02869 0.00000 0.02688
|
|
49 17F 0 0.11743 0.00000 0.00000 -0.09406 0.00000
|
|
50 17F+1 0.00000 0.06722 -0.03544 0.00000 -0.00682
|
|
51 17F-1 0.00000 0.01789 0.06071 0.00000 0.09572
|
|
52 17F+2 0.11704 0.00000 0.00000 -0.16462 0.00000
|
|
53 17F-2 -0.04749 0.00000 0.00000 0.19199 0.00000
|
|
54 17F+3 0.00000 0.03273 -0.00690 0.00000 -0.03563
|
|
55 17F-3 0.00000 0.06088 0.04529 0.00000 -0.15221
|
|
56 18F 0 0.23109 0.00000 0.00000 0.00476 0.00000
|
|
57 18F+1 0.00000 0.14909 0.98279 0.00000 -0.41674
|
|
58 18F-1 0.00000 0.37888 -0.49076 0.00000 -0.29944
|
|
59 18F+2 0.34924 0.00000 0.00000 0.06672 0.00000
|
|
60 18F-2 0.18427 0.00000 0.00000 -0.48618 0.00000
|
|
61 18F+3 0.00000 0.23959 0.01806 0.00000 0.08464
|
|
62 18F-3 0.00000 0.27084 -0.65227 0.00000 0.35298
|
|
63 19G 0 0.00000 -0.11027 -0.04403 0.00000 -0.23340
|
|
64 19G+1 0.01748 0.00000 0.00000 0.09112 0.00000
|
|
65 19G-1 -0.13999 0.00000 0.00000 0.00934 0.00000
|
|
66 19G+2 0.00000 -0.03525 0.04870 0.00000 -0.00765
|
|
67 19G-2 0.00000 -0.07355 0.00477 0.00000 -0.00176
|
|
68 19G+3 -0.12049 0.00000 0.00000 -0.23905 0.00000
|
|
69 19G-3 -0.15175 0.00000 0.00000 -0.04661 0.00000
|
|
70 19G+4 0.00000 0.09410 0.12792 0.00000 0.07335
|
|
71 19G-4 0.00000 -0.16981 0.00536 0.00000 0.04725
|
|
72 20G 0 0.00000 0.24363 0.03691 0.00000 0.77404
|
|
73 20G+1 0.20146 0.00000 0.00000 -0.50914 0.00000
|
|
74 20G-1 0.22547 0.00000 0.00000 0.01612 0.00000
|
|
75 20G+2 0.00000 0.37171 -0.33461 0.00000 -0.09903
|
|
76 20G-2 0.00000 0.16897 0.30012 0.00000 -0.15783
|
|
77 20G+3 0.40824 0.00000 0.00000 0.59136 0.00000
|
|
78 20G-3 0.24202 0.00000 0.00000 0.15345 0.00000
|
|
79 20G+4 0.00000 -0.27157 -0.47055 0.00000 -0.07689
|
|
80 20G-4 0.00000 0.26825 -0.20037 0.00000 0.01116
|
|
81 21H 0 0.03834 0.00000 0.00000 -0.14666 0.00000
|
|
82 21H+1 0.00000 0.00993 -0.05737 0.00000 0.10851
|
|
83 21H-1 0.00000 -0.01881 0.20005 0.00000 0.16504
|
|
84 21H+2 0.04215 0.00000 0.00000 -0.00464 0.00000
|
|
85 21H-2 0.17486 0.00000 0.00000 -0.25217 0.00000
|
|
86 21H+3 0.00000 0.05157 -0.19283 0.00000 -0.01695
|
|
87 21H-3 0.00000 0.08604 0.10907 0.00000 -0.25865
|
|
88 21H+4 0.03004 0.00000 0.00000 -0.15291 0.00000
|
|
89 21H-4 0.05812 0.00000 0.00000 0.16826 0.00000
|
|
90 21H+5 0.00000 0.16425 -0.01273 0.00000 -0.15138
|
|
91 21H-5 0.00000 -0.10526 0.21650 0.00000 -0.10179
|
|
92 2 S 1S 0.00000 0.00804 -0.00732 0.00000 0.00065
|
|
93 2S 0.00000 -0.00392 0.01550 0.00000 -0.00477
|
|
94 3S 0.00000 0.16270 -0.17046 0.00000 0.02887
|
|
95 4S 0.00000 0.46195 -0.50638 0.00000 0.13608
|
|
96 5S 0.00000 0.08636 -0.13438 0.00000 -0.10480
|
|
97 6S 0.00000 -2.02527 2.36572 0.00000 -0.38882
|
|
98 7S 0.00000 -0.69606 1.18380 0.00000 -0.25729
|
|
99 8PX 0.00000 0.00940 0.01284 0.00000 0.00770
|
|
100 8PY 0.00000 -0.00845 0.01036 0.00000 -0.00497
|
|
101 8PZ -0.00082 0.00000 0.00000 0.01440 0.00000
|
|
102 9PX 0.00000 0.03068 -0.00277 0.00000 -0.00737
|
|
103 9PY 0.00000 0.00273 -0.02294 0.00000 0.00948
|
|
104 9PZ 0.00157 0.00000 0.00000 0.00609 0.00000
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358 6PY 0.00932 0.00665 -0.04572 -0.00881 0.01623
|
|
359 6PZ -0.02543 0.01488 0.02347 0.01577 -0.00848
|
|
360 7PX -0.01989 -0.03889 0.13135 0.09371 0.06725
|
|
361 7PY -0.03754 -0.00834 0.05723 0.02578 -0.00054
|
|
362 7PZ 0.03044 0.04471 -0.18540 -0.04670 0.10156
|
|
363 8PX -0.16718 0.14520 -0.07366 -0.02232 0.29392
|
|
364 8PY -0.51310 0.50723 -0.28345 -0.02407 0.09862
|
|
365 8PZ 0.22993 -0.58171 0.26246 0.43443 0.24090
|
|
366 9PX -0.27997 0.28190 -0.22449 -0.18500 -0.21980
|
|
367 9PY -0.12553 0.16206 -0.10047 0.19774 -0.05372
|
|
368 9PZ 0.46137 -0.51793 0.29656 0.01540 -0.11802
|
|
369 10D 0 -0.01823 0.04466 -0.05836 -0.08043 -0.09642
|
|
370 10D+1 -0.13697 0.08402 -0.10311 0.04282 -0.08672
|
|
371 10D-1 0.09408 -0.10360 -0.01987 -0.07560 0.01758
|
|
372 10D+2 -0.14830 0.15849 -0.15404 0.06806 0.09273
|
|
373 10D-2 -0.19899 -0.04239 -0.06186 0.08819 0.00868
|
|
374 11D 0 -0.00377 -0.10451 0.02587 0.18729 0.28996
|
|
375 11D+1 0.04457 -0.04075 0.09698 0.04457 0.16986
|
|
376 11D-1 -0.21737 0.19741 -0.09764 0.05768 -0.03194
|
|
377 11D+2 0.08100 -0.04712 -0.01104 -0.04948 -0.14088
|
|
378 11D-2 0.21123 -0.04121 0.05965 -0.12328 -0.10843
|
|
379 12D 0 0.10004 -0.18354 0.12437 0.01368 -0.08442
|
|
380 12D+1 -0.06071 0.10862 -0.06934 0.08344 -0.19347
|
|
381 12D-1 -0.27044 0.28420 -0.41003 -0.10949 -0.15425
|
|
382 12D+2 0.14879 -0.08520 0.18218 0.30270 -0.03062
|
|
383 12D-2 0.13190 -0.15366 0.11898 -0.21695 -0.47297
|
|
384 13F 0 -0.12496 0.05443 -0.11362 0.08199 0.35480
|
|
385 13F+1 -0.36254 0.17535 -0.17760 -0.11330 0.22437
|
|
386 13F-1 0.26253 -0.24477 0.23778 0.29781 0.16134
|
|
387 13F+2 -0.13968 0.08506 -0.25785 -0.12722 0.06233
|
|
388 13F-2 -0.19754 0.09830 -0.06515 0.12176 0.26378
|
|
389 13F+3 0.08211 -0.18154 0.22163 0.27234 0.17571
|
|
390 13F-3 0.28172 -0.14373 0.17381 0.09074 -0.37949
|
|
391 14F 0 0.07235 -0.07064 0.03554 0.00020 -0.22346
|
|
392 14F+1 0.19419 -0.05110 0.09377 0.18559 -0.23768
|
|
393 14F-1 -0.30296 0.24858 -0.28570 -0.25186 -0.22396
|
|
394 14F+2 0.12032 -0.02795 0.10777 0.12906 -0.07470
|
|
395 14F-2 0.20099 -0.16517 0.11075 -0.14625 -0.29348
|
|
396 14F+3 -0.05215 0.10739 -0.12625 -0.29780 -0.16864
|
|
397 14F-3 -0.22760 0.15271 -0.09186 -0.03130 0.33801
|
|
398 15G 0 -0.06168 0.02722 -0.03784 0.12990 -0.13441
|
|
399 15G+1 0.07630 0.18762 -0.06119 0.15102 -0.06201
|
|
400 15G-1 -0.14370 -0.11681 0.00989 0.00502 -0.06349
|
|
401 15G+2 0.05067 0.26293 0.06178 0.05267 -0.02294
|
|
402 15G-2 -0.04232 -0.02067 0.07321 0.19388 -0.18341
|
|
403 15G+3 0.02114 0.05192 -0.05428 -0.05243 0.03959
|
|
404 15G-3 -0.00732 0.09088 0.05080 -0.02920 -0.05363
|
|
405 15G+4 -0.19637 0.00414 -0.05061 0.24744 -0.09102
|
|
406 15G-4 -0.08774 -0.18209 -0.13483 -0.05213 -0.02218
|
|
331 332 333 334 335
|
|
V V V V V
|
|
Eigenvalues -- 13.55963 13.56094 13.59440 13.67460 13.74052
|
|
1 1 C 1S 0.00000 -0.00011 -0.00025 0.00000 0.00000
|
|
2 2S 0.00000 -0.00352 0.02161 0.00000 0.00000
|
|
3 3S 0.00000 -0.01299 0.03882 0.00000 0.00000
|
|
4 4S 0.00000 0.25440 -0.48118 0.00000 0.00000
|
|
5 5S 0.00000 -0.57204 1.38648 0.00000 0.00000
|
|
6 6S 0.00000 0.31065 -1.08484 0.00000 0.00000
|
|
7 7PX 0.00000 -0.06654 -0.01544 0.00000 0.00000
|
|
8 7PY 0.00000 -0.06863 0.15929 0.00000 0.00000
|
|
9 7PZ -0.04879 0.00000 0.00000 -0.00130 -0.04874
|
|
10 8PX 0.00000 0.25906 0.03857 0.00000 0.00000
|
|
11 8PY 0.00000 0.26099 -0.59921 0.00000 0.00000
|
|
12 8PZ 0.15235 0.00000 0.00000 0.01476 0.19995
|
|
13 9PX 0.00000 2.44308 0.75068 0.00000 0.00000
|
|
14 9PY 0.00000 -0.41581 1.42239 0.00000 0.00000
|
|
15 9PZ 2.82846 0.00000 0.00000 0.16052 0.69718
|
|
16 10PX 0.00000 0.64947 0.48694 0.00000 0.00000
|
|
17 10PY 0.00000 -0.26410 1.12923 0.00000 0.00000
|
|
18 10PZ 0.57230 0.00000 0.00000 -0.14925 -0.25877
|
|
19 11PX 0.00000 0.12785 0.04794 0.00000 0.00000
|
|
20 11PY 0.00000 -0.00826 0.00795 0.00000 0.00000
|
|
21 11PZ 0.17766 0.00000 0.00000 0.00648 0.02306
|
|
22 12D 0 0.00000 -0.14488 0.08725 0.00000 0.00000
|
|
23 12D+1 -0.11186 0.00000 0.00000 -0.01762 -0.08030
|
|
24 12D-1 0.11816 0.00000 0.00000 0.00998 0.01520
|
|
25 12D+2 0.00000 -0.03203 0.21647 0.00000 0.00000
|
|
26 12D-2 0.00000 0.11811 0.00707 0.00000 0.00000
|
|
27 13D 0 0.00000 0.37380 -0.12243 0.00000 0.00000
|
|
28 13D+1 0.30111 0.00000 0.00000 0.02765 0.15849
|
|
29 13D-1 -0.02170 0.00000 0.00000 0.00357 0.06278
|
|
30 13D+2 0.00000 -0.02855 -0.41277 0.00000 0.00000
|
|
31 13D-2 0.00000 -0.01217 0.03234 0.00000 0.00000
|
|
32 14D 0 0.00000 0.66704 0.67728 0.00000 0.00000
|
|
33 14D+1 0.81733 0.00000 0.00000 0.13738 0.26633
|
|
34 14D-1 0.72045 0.00000 0.00000 0.03426 0.02098
|
|
35 14D+2 0.00000 -0.83271 0.73472 0.00000 0.00000
|
|
36 14D-2 0.00000 0.49969 0.01044 0.00000 0.00000
|
|
37 15D 0 0.00000 0.12555 0.29684 0.00000 0.00000
|
|
38 15D+1 0.14353 0.00000 0.00000 -0.05197 -0.20963
|
|
39 15D-1 0.05086 0.00000 0.00000 0.00248 0.16929
|
|
40 15D+2 0.00000 -0.19861 0.22621 0.00000 0.00000
|
|
41 15D-2 0.00000 -0.04164 0.01832 0.00000 0.00000
|
|
42 16F 0 -0.05495 0.00000 0.00000 0.00807 -0.01119
|
|
43 16F+1 0.00000 0.00230 -0.08739 0.00000 0.00000
|
|
44 16F-1 0.00000 0.07766 0.03186 0.00000 0.00000
|
|
45 16F+2 -0.05446 0.00000 0.00000 -0.02602 -0.05246
|
|
46 16F-2 0.10014 0.00000 0.00000 0.00229 0.03308
|
|
47 16F+3 0.00000 -0.03384 0.02544 0.00000 0.00000
|
|
48 16F-3 0.00000 -0.06985 -0.00716 0.00000 0.00000
|
|
49 17F 0 0.24173 0.00000 0.00000 -0.03929 0.09308
|
|
50 17F+1 0.00000 -0.00299 0.29420 0.00000 0.00000
|
|
51 17F-1 0.00000 -0.08517 0.04702 0.00000 0.00000
|
|
52 17F+2 0.20879 0.00000 0.00000 0.07326 0.12786
|
|
53 17F-2 -0.10326 0.00000 0.00000 0.02378 -0.06612
|
|
54 17F+3 0.00000 0.24574 -0.04248 0.00000 0.00000
|
|
55 17F-3 0.00000 0.05857 0.14378 0.00000 0.00000
|
|
56 18F 0 -0.05626 0.00000 0.00000 0.00783 -0.01280
|
|
57 18F+1 0.00000 -0.20213 0.47828 0.00000 0.00000
|
|
58 18F-1 0.00000 -0.11565 0.05246 0.00000 0.00000
|
|
59 18F+2 -0.03021 0.00000 0.00000 -0.02309 -0.02527
|
|
60 18F-2 -0.13771 0.00000 0.00000 -0.01887 -0.11187
|
|
61 18F+3 0.00000 -0.06738 -0.14480 0.00000 0.00000
|
|
62 18F-3 0.00000 0.06562 -0.09476 0.00000 0.00000
|
|
63 19G 0 0.00000 -0.04352 -0.00748 0.00000 0.00000
|
|
64 19G+1 -0.03108 0.00000 0.00000 0.01384 0.02142
|
|
65 19G-1 0.01773 0.00000 0.00000 -0.08276 -0.01062
|
|
66 19G+2 0.00000 -0.02100 -0.02544 0.00000 0.00000
|
|
67 19G-2 0.00000 -0.01261 0.04907 0.00000 0.00000
|
|
68 19G+3 -0.06086 0.00000 0.00000 -0.01658 -0.01545
|
|
69 19G-3 0.00438 0.00000 0.00000 0.07529 -0.05688
|
|
70 19G+4 0.00000 0.02814 0.00993 0.00000 0.00000
|
|
71 19G-4 0.00000 0.03515 -0.02484 0.00000 0.00000
|
|
72 20G 0 0.00000 0.31887 -0.11061 0.00000 0.00000
|
|
73 20G+1 -0.00581 0.00000 0.00000 -0.01941 -0.03586
|
|
74 20G-1 0.01512 0.00000 0.00000 -0.08340 0.09508
|
|
75 20G+2 0.00000 0.03333 -0.14843 0.00000 0.00000
|
|
76 20G-2 0.00000 0.02999 -0.11494 0.00000 0.00000
|
|
77 20G+3 0.26081 0.00000 0.00000 0.01856 0.19712
|
|
78 20G-3 0.02401 0.00000 0.00000 0.10203 -0.06606
|
|
79 20G+4 0.00000 -0.02219 -0.37624 0.00000 0.00000
|
|
80 20G-4 0.00000 -0.02255 0.00565 0.00000 0.00000
|
|
81 21H 0 0.15970 0.00000 0.00000 -0.13702 0.12568
|
|
82 21H+1 0.00000 -0.01186 0.05314 0.00000 0.00000
|
|
83 21H-1 0.00000 -0.10193 0.01810 0.00000 0.00000
|
|
84 21H+2 0.14411 0.00000 0.00000 -0.07144 0.08778
|
|
85 21H-2 0.05539 0.00000 0.00000 -0.00702 -0.02189
|
|
86 21H+3 0.00000 0.10099 0.13030 0.00000 0.00000
|
|
87 21H-3 0.00000 0.00431 0.11421 0.00000 0.00000
|
|
88 21H+4 0.19057 0.00000 0.00000 0.23621 -0.07112
|
|
89 21H-4 -0.07381 0.00000 0.00000 0.07018 -0.00373
|
|
90 21H+5 0.00000 0.21976 0.01717 0.00000 0.00000
|
|
91 21H-5 0.00000 0.11022 0.07703 0.00000 0.00000
|
|
92 2 S 1S 0.00000 0.00179 -0.00269 0.00000 0.00000
|
|
93 2S 0.00000 -0.00264 0.01484 0.00000 0.00000
|
|
94 3S 0.00000 0.04364 -0.08059 0.00000 0.00000
|
|
95 4S 0.00000 0.14305 -0.24772 0.00000 0.00000
|
|
96 5S 0.00000 0.06282 -0.09900 0.00000 0.00000
|
|
97 6S 0.00000 -0.70912 0.83200 0.00000 0.00000
|
|
98 7S 0.00000 -0.20183 0.41236 0.00000 0.00000
|
|
99 8PX 0.00000 0.00596 0.01226 0.00000 0.00000
|
|
100 8PY 0.00000 -0.00823 0.01068 0.00000 0.00000
|
|
101 8PZ 0.00617 0.00000 0.00000 -0.00027 -0.00262
|
|
102 9PX 0.00000 0.00622 0.00932 0.00000 0.00000
|
|
103 9PY 0.00000 0.00205 -0.01438 0.00000 0.00000
|
|
104 9PZ 0.00419 0.00000 0.00000 -0.00004 -0.00119
|
|
105 10PX 0.00000 0.03373 0.01492 0.00000 0.00000
|
|
106 10PY 0.00000 0.10116 -0.27513 0.00000 0.00000
|
|
107 10PZ -0.01511 0.00000 0.00000 -0.00303 0.00668
|
|
108 11PX 0.00000 -0.11967 -0.10298 0.00000 0.00000
|
|
109 11PY 0.00000 -0.22768 0.66445 0.00000 0.00000
|
|
110 11PZ 0.05143 0.00000 0.00000 0.01524 -0.02658
|
|
111 12PX 0.00000 -0.45805 -0.19272 0.00000 0.00000
|
|
112 12PY 0.00000 -0.16510 0.64638 0.00000 0.00000
|
|
113 12PZ -0.07766 0.00000 0.00000 0.02480 0.17961
|
|
114 13PX 0.00000 -0.03775 -0.00069 0.00000 0.00000
|
|
115 13PY 0.00000 -0.02758 0.05154 0.00000 0.00000
|
|
116 13PZ -0.04333 0.00000 0.00000 -0.00100 0.00123
|
|
117 14D 0 0.00000 0.05520 -0.10528 0.00000 0.00000
|
|
118 14D+1 -0.04932 0.00000 0.00000 -0.00734 -0.00060
|
|
119 14D-1 -0.07906 0.00000 0.00000 -0.01611 0.02384
|
|
120 14D+2 0.00000 -0.06641 -0.14645 0.00000 0.00000
|
|
121 14D-2 0.00000 -0.18261 -0.17567 0.00000 0.00000
|
|
122 15D 0 0.00000 0.16678 -0.20033 0.00000 0.00000
|
|
123 15D+1 0.02479 0.00000 0.00000 0.00323 0.03520
|
|
124 15D-1 0.06475 0.00000 0.00000 -0.11567 -0.25825
|
|
125 15D+2 0.00000 0.02245 -0.52303 0.00000 0.00000
|
|
126 15D-2 0.00000 -0.00156 0.07472 0.00000 0.00000
|
|
127 16D 0 0.00000 -0.02097 0.04170 0.00000 0.00000
|
|
128 16D+1 0.00209 0.00000 0.00000 0.01327 0.00403
|
|
129 16D-1 -0.04722 0.00000 0.00000 0.04626 0.09763
|
|
130 16D+2 0.00000 -0.03135 0.03619 0.00000 0.00000
|
|
131 16D-2 0.00000 -0.00524 -0.02601 0.00000 0.00000
|
|
132 17D 0 0.00000 -0.00374 0.00041 0.00000 0.00000
|
|
133 17D+1 -0.00252 0.00000 0.00000 -0.00506 -0.00394
|
|
134 17D-1 0.02469 0.00000 0.00000 -0.01186 -0.02374
|
|
135 17D+2 0.00000 0.01128 0.03451 0.00000 0.00000
|
|
136 17D-2 0.00000 0.00833 0.00855 0.00000 0.00000
|
|
137 18F 0 0.05668 0.00000 0.00000 0.00525 -0.02631
|
|
138 18F+1 0.00000 0.06258 -0.02891 0.00000 0.00000
|
|
139 18F-1 0.00000 -0.02892 0.00179 0.00000 0.00000
|
|
140 18F+2 0.02800 0.00000 0.00000 -0.02381 -0.07265
|
|
141 18F-2 -0.02438 0.00000 0.00000 -0.03715 -0.13768
|
|
142 18F+3 0.00000 0.04839 0.14710 0.00000 0.00000
|
|
143 18F-3 0.00000 0.01092 -0.02261 0.00000 0.00000
|
|
144 19F 0 -0.02050 0.00000 0.00000 -0.02813 -0.00669
|
|
145 19F+1 0.00000 0.07467 -0.01348 0.00000 0.00000
|
|
146 19F-1 0.00000 0.05956 -0.15073 0.00000 0.00000
|
|
147 19F+2 0.00825 0.00000 0.00000 -0.02292 -0.06614
|
|
148 19F-2 0.04383 0.00000 0.00000 -0.16590 -0.29586
|
|
149 19F+3 0.00000 -0.04499 -0.02711 0.00000 0.00000
|
|
150 19F-3 0.00000 0.07271 -0.19273 0.00000 0.00000
|
|
151 20F 0 0.01017 0.00000 0.00000 0.00880 -0.00463
|
|
152 20F+1 0.00000 -0.00199 0.02375 0.00000 0.00000
|
|
153 20F-1 0.00000 0.00548 -0.01326 0.00000 0.00000
|
|
154 20F+2 0.01220 0.00000 0.00000 0.00569 0.03204
|
|
155 20F-2 -0.00046 0.00000 0.00000 0.02084 0.03157
|
|
156 20F+3 0.00000 -0.00593 -0.04305 0.00000 0.00000
|
|
157 20F-3 0.00000 -0.01326 -0.01507 0.00000 0.00000
|
|
158 21G 0 0.00000 -0.00441 0.03984 0.00000 0.00000
|
|
159 21G+1 0.00361 0.00000 0.00000 0.00654 0.01554
|
|
160 21G-1 0.01729 0.00000 0.00000 0.02972 0.11636
|
|
161 21G+2 0.00000 0.02436 0.01411 0.00000 0.00000
|
|
162 21G-2 0.00000 0.05227 -0.03390 0.00000 0.00000
|
|
163 21G+3 0.03012 0.00000 0.00000 -0.04517 -0.09753
|
|
164 21G-3 0.03392 0.00000 0.00000 -0.09936 -0.31184
|
|
165 21G+4 0.00000 -0.07735 0.10953 0.00000 0.00000
|
|
166 21G-4 0.00000 0.02776 0.11930 0.00000 0.00000
|
|
167 22G 0 0.00000 -0.04435 0.01872 0.00000 0.00000
|
|
168 22G+1 -0.00317 0.00000 0.00000 0.00409 -0.01069
|
|
169 22G-1 -0.00103 0.00000 0.00000 0.02268 0.04057
|
|
170 22G+2 0.00000 0.00033 0.05859 0.00000 0.00000
|
|
171 22G-2 0.00000 -0.01228 0.00915 0.00000 0.00000
|
|
172 22G+3 -0.01577 0.00000 0.00000 -0.01738 -0.03987
|
|
173 22G-3 0.02732 0.00000 0.00000 -0.05049 -0.07210
|
|
174 22G+4 0.00000 -0.00388 0.01045 0.00000 0.00000
|
|
175 22G-4 0.00000 0.00947 -0.01229 0.00000 0.00000
|
|
176 23H 0 -0.01854 0.00000 0.00000 0.01908 -0.01787
|
|
177 23H+1 0.00000 -0.03860 0.01623 0.00000 0.00000
|
|
178 23H-1 0.00000 -0.01382 0.02342 0.00000 0.00000
|
|
179 23H+2 -0.01925 0.00000 0.00000 0.03236 0.02480
|
|
180 23H-2 -0.01971 0.00000 0.00000 0.06392 0.12132
|
|
181 23H+3 0.00000 -0.00210 0.02057 0.00000 0.00000
|
|
182 23H-3 0.00000 -0.01224 0.02476 0.00000 0.00000
|
|
183 23H+4 -0.01107 0.00000 0.00000 -0.09393 -0.07665
|
|
184 23H-4 0.01607 0.00000 0.00000 -0.08162 -0.21766
|
|
185 23H+5 0.00000 -0.03343 -0.04542 0.00000 0.00000
|
|
186 23H-5 0.00000 0.00177 0.10483 0.00000 0.00000
|
|
187 3 H 1S 0.00000 -0.00343 -0.01328 0.00000 0.00000
|
|
188 2S 0.00000 -0.02608 -0.00913 0.00000 0.00000
|
|
189 3S 0.00000 0.31901 0.04273 0.00000 0.00000
|
|
190 4S 0.00000 0.31275 0.19068 0.00000 0.00000
|
|
191 5S 0.00000 -0.01918 -0.04255 0.00000 0.00000
|
|
192 6PX 0.00000 -0.00829 -0.00898 0.00000 0.00000
|
|
193 6PY 0.00000 -0.01889 -0.01954 0.00000 0.00000
|
|
194 6PZ 0.00527 0.00000 0.00000 0.01073 0.00425
|
|
195 7PX 0.00000 0.00854 0.00839 0.00000 0.00000
|
|
196 7PY 0.00000 -0.00725 0.00225 0.00000 0.00000
|
|
197 7PZ 0.00092 0.00000 0.00000 0.00135 0.00743
|
|
198 8PX 0.00000 -0.16753 -0.12502 0.00000 0.00000
|
|
199 8PY 0.00000 0.07344 -0.04066 0.00000 0.00000
|
|
200 8PZ -0.00859 0.00000 0.00000 -0.00461 -0.04025
|
|
201 9PX 0.00000 -0.15678 -0.11439 0.00000 0.00000
|
|
202 9PY 0.00000 0.08839 0.06062 0.00000 0.00000
|
|
203 9PZ 0.03179 0.00000 0.00000 -0.00590 -0.01465
|
|
204 10D 0 0.00000 0.04401 0.13513 0.00000 0.00000
|
|
205 10D+1 -0.00452 0.00000 0.00000 0.02714 0.14506
|
|
206 10D-1 -0.14990 0.00000 0.00000 0.16726 0.56397
|
|
207 10D+2 0.00000 0.11137 0.15259 0.00000 0.00000
|
|
208 10D-2 0.00000 -0.02189 -0.01020 0.00000 0.00000
|
|
209 11D 0 0.00000 -0.04604 -0.13028 0.00000 0.00000
|
|
210 11D+1 -0.00220 0.00000 0.00000 -0.04200 -0.13524
|
|
211 11D-1 0.13085 0.00000 0.00000 -0.16452 -0.55341
|
|
212 11D+2 0.00000 -0.06279 -0.08938 0.00000 0.00000
|
|
213 11D-2 0.00000 0.01774 0.03393 0.00000 0.00000
|
|
214 12D 0 0.00000 -0.04493 0.02216 0.00000 0.00000
|
|
215 12D+1 0.00450 0.00000 0.00000 0.06661 0.16400
|
|
216 12D-1 -0.08221 0.00000 0.00000 0.25425 0.67214
|
|
217 12D+2 0.00000 0.06383 0.10276 0.00000 0.00000
|
|
218 12D-2 0.00000 -0.08348 -0.03603 0.00000 0.00000
|
|
219 13F 0 -0.03006 0.00000 0.00000 -0.04255 -0.00788
|
|
220 13F+1 0.00000 -0.03359 0.06540 0.00000 0.00000
|
|
221 13F-1 0.00000 0.03871 0.02545 0.00000 0.00000
|
|
222 13F+2 0.01738 0.00000 0.00000 0.11468 0.20137
|
|
223 13F-2 -0.09738 0.00000 0.00000 0.27506 0.59143
|
|
224 13F+3 0.00000 -0.01864 -0.00372 0.00000 0.00000
|
|
225 13F-3 0.00000 -0.00125 -0.05543 0.00000 0.00000
|
|
226 14F 0 0.02028 0.00000 0.00000 0.03536 0.01471
|
|
227 14F+1 0.00000 0.05065 -0.04325 0.00000 0.00000
|
|
228 14F-1 0.00000 -0.03719 -0.02124 0.00000 0.00000
|
|
229 14F+2 -0.00578 0.00000 0.00000 -0.10602 -0.22618
|
|
230 14F-2 0.09042 0.00000 0.00000 -0.30549 -0.65766
|
|
231 14F+3 0.00000 -0.00379 -0.04606 0.00000 0.00000
|
|
232 14F-3 0.00000 0.02159 0.04865 0.00000 0.00000
|
|
233 15G 0 0.00000 0.06479 -0.03225 0.00000 0.00000
|
|
234 15G+1 -0.01050 0.00000 0.00000 -0.05271 -0.04350
|
|
235 15G-1 0.04324 0.00000 0.00000 -0.12691 -0.24457
|
|
236 15G+2 0.00000 -0.05400 0.01773 0.00000 0.00000
|
|
237 15G-2 0.00000 0.04856 0.04051 0.00000 0.00000
|
|
238 15G+3 -0.03861 0.00000 0.00000 0.10253 0.29358
|
|
239 15G-3 -0.08654 0.00000 0.00000 0.33087 0.59303
|
|
240 15G+4 0.00000 0.01554 0.11732 0.00000 0.00000
|
|
241 15G-4 0.00000 -0.03039 -0.08225 0.00000 0.00000
|
|
242 4 H 1S 0.00000 -0.08155 0.16539 0.00000 0.00000
|
|
243 2S 0.00000 -0.40819 -0.36314 0.00000 0.00000
|
|
244 3S 0.00000 2.74691 -0.27067 0.00000 0.00000
|
|
245 4S 0.00000 1.11744 0.74530 0.00000 0.00000
|
|
246 5S 0.00000 0.05381 0.08071 0.00000 0.00000
|
|
247 6PX 0.00000 0.06034 -0.01334 0.00000 0.00000
|
|
248 6PY 0.00000 -0.00017 -0.02981 0.00000 0.00000
|
|
249 6PZ 0.04955 0.00000 0.00000 -0.04053 0.03012
|
|
250 7PX 0.00000 -0.30387 -0.09021 0.00000 0.00000
|
|
251 7PY 0.00000 0.02920 0.03719 0.00000 0.00000
|
|
252 7PZ -0.03359 0.00000 0.00000 -0.00691 0.00126
|
|
253 8PX 0.00000 1.59405 0.00946 0.00000 0.00000
|
|
254 8PY 0.00000 -0.64199 -0.14607 0.00000 0.00000
|
|
255 8PZ -0.04903 0.00000 0.00000 0.00082 0.10063
|
|
256 9PX 0.00000 0.79476 0.39346 0.00000 0.00000
|
|
257 9PY 0.00000 -0.19365 -0.20568 0.00000 0.00000
|
|
258 9PZ 0.03126 0.00000 0.00000 0.08442 -0.05662
|
|
259 10D 0 0.00000 0.08754 -0.02543 0.00000 0.00000
|
|
260 10D+1 0.37628 0.00000 0.00000 -0.01235 0.12138
|
|
261 10D-1 0.03854 0.00000 0.00000 0.40862 -0.16651
|
|
262 10D+2 0.00000 0.27226 -0.07827 0.00000 0.00000
|
|
263 10D-2 0.00000 -0.04631 -0.14208 0.00000 0.00000
|
|
264 11D 0 0.00000 -0.14584 0.00519 0.00000 0.00000
|
|
265 11D+1 -0.33480 0.00000 0.00000 -0.04103 -0.05174
|
|
266 11D-1 -0.00368 0.00000 0.00000 -0.24522 0.09381
|
|
267 11D+2 0.00000 -0.17628 0.02701 0.00000 0.00000
|
|
268 11D-2 0.00000 -0.15330 0.07269 0.00000 0.00000
|
|
269 12D 0 0.00000 -0.24166 -0.06745 0.00000 0.00000
|
|
270 12D+1 0.04105 0.00000 0.00000 0.09091 0.02681
|
|
271 12D-1 -0.23361 0.00000 0.00000 -0.02396 -0.08971
|
|
272 12D+2 0.00000 0.52438 0.12737 0.00000 0.00000
|
|
273 12D-2 0.00000 -0.32806 -0.29291 0.00000 0.00000
|
|
274 13F 0 -0.05858 0.00000 0.00000 0.17593 -0.07558
|
|
275 13F+1 0.00000 0.05366 -0.05257 0.00000 0.00000
|
|
276 13F-1 0.00000 0.06446 0.22703 0.00000 0.00000
|
|
277 13F+2 0.28626 0.00000 0.00000 0.04020 0.05911
|
|
278 13F-2 0.36546 0.00000 0.00000 0.50708 -0.14269
|
|
279 13F+3 0.00000 -0.06166 0.03451 0.00000 0.00000
|
|
280 13F-3 0.00000 0.10548 0.04595 0.00000 0.00000
|
|
281 14F 0 0.01863 0.00000 0.00000 -0.14152 0.05738
|
|
282 14F+1 0.00000 -0.10163 -0.04216 0.00000 0.00000
|
|
283 14F-1 0.00000 -0.05178 -0.22675 0.00000 0.00000
|
|
284 14F+2 -0.23151 0.00000 0.00000 -0.02155 -0.03244
|
|
285 14F-2 -0.30516 0.00000 0.00000 -0.29061 0.04089
|
|
286 14F+3 0.00000 0.07157 -0.05249 0.00000 0.00000
|
|
287 14F-3 0.00000 -0.22722 -0.14586 0.00000 0.00000
|
|
288 15G 0 0.00000 0.05882 0.02667 0.00000 0.00000
|
|
289 15G+1 -0.11939 0.00000 0.00000 -0.15161 0.08790
|
|
290 15G-1 0.18006 0.00000 0.00000 0.11874 -0.05640
|
|
291 15G+2 0.00000 -0.26954 -0.26921 0.00000 0.00000
|
|
292 15G-2 0.00000 -0.28843 -0.54662 0.00000 0.00000
|
|
293 15G+3 -0.08820 0.00000 0.00000 -0.04412 0.04799
|
|
294 15G-3 0.04307 0.00000 0.00000 0.03100 -0.04983
|
|
295 15G+4 0.00000 -0.05427 -0.25156 0.00000 0.00000
|
|
296 15G-4 0.00000 -0.21544 -0.05773 0.00000 0.00000
|
|
297 5 H 1S 0.03962 -0.01593 0.16247 0.00947 0.00733
|
|
298 2S 0.33575 0.29825 -0.22258 0.01651 0.15547
|
|
299 3S -2.06757 -0.80694 -1.30296 -0.11556 -0.43419
|
|
300 4S -1.02269 -0.68998 -0.08796 0.02302 -0.22482
|
|
301 5S -0.09748 -0.04500 0.07480 -0.01851 -0.04179
|
|
302 6PX 0.00222 0.04425 0.02456 -0.04231 0.01143
|
|
303 6PY 0.00289 0.01502 -0.02483 0.00062 0.02258
|
|
304 6PZ 0.04361 0.00277 0.01928 0.02113 -0.00401
|
|
305 7PX -0.09738 -0.10263 -0.01189 -0.00979 -0.04858
|
|
306 7PY -0.04251 -0.04909 0.04161 -0.00375 -0.02771
|
|
307 7PZ -0.21465 -0.13388 0.01382 -0.01618 -0.09271
|
|
308 8PX 0.60960 0.32781 0.19529 -0.01736 0.17968
|
|
309 8PY 0.70144 0.36229 0.22942 0.05395 0.28457
|
|
310 8PZ 1.03334 0.49574 0.43700 0.11983 0.29029
|
|
311 9PX 0.32521 0.28428 0.02324 0.07471 0.17740
|
|
312 9PY 0.27728 0.21299 -0.07001 -0.00628 -0.00174
|
|
313 9PZ 0.62513 0.35443 0.01219 0.02455 0.28738
|
|
314 10D 0 -0.27924 0.18068 -0.06382 -0.03798 0.01931
|
|
315 10D+1 0.06014 -0.16286 -0.10335 0.02965 -0.09241
|
|
316 10D-1 -0.05450 -0.08705 0.12637 -0.17710 0.12076
|
|
317 10D+2 -0.08377 -0.18859 -0.19061 -0.02256 0.06359
|
|
318 10D-2 -0.05148 -0.05147 0.00739 0.35670 -0.11651
|
|
319 11D 0 0.24690 -0.14522 0.01509 -0.01072 0.01812
|
|
320 11D+1 -0.10365 0.11171 0.07671 0.01467 0.08561
|
|
321 11D-1 -0.09754 -0.01753 -0.17280 0.08285 -0.16191
|
|
322 11D+2 0.11080 0.18101 0.16838 0.03930 -0.02855
|
|
323 11D-2 -0.05632 0.01827 -0.03273 -0.21302 0.01832
|
|
324 12D 0 -0.26879 -0.12031 -0.04233 -0.01264 -0.11945
|
|
325 12D+1 -0.31351 -0.22369 -0.06257 -0.04795 -0.17315
|
|
326 12D-1 -0.43015 -0.14774 0.09343 -0.03239 -0.17326
|
|
327 12D+2 -0.08095 -0.03907 -0.02937 -0.02822 -0.02709
|
|
328 12D-2 -0.09932 -0.36006 0.02016 0.00005 -0.01283
|
|
329 13F 0 0.15957 -0.22693 -0.04729 0.01806 0.02744
|
|
330 13F+1 -0.05746 0.03622 -0.06058 0.00007 -0.05176
|
|
331 13F-1 -0.20437 0.15241 0.02860 0.31042 -0.18718
|
|
332 13F+2 -0.03228 0.05875 0.02337 -0.09397 0.00854
|
|
333 13F-2 0.07102 -0.11039 -0.17646 -0.24537 0.15792
|
|
334 13F+3 -0.08527 0.24515 -0.00431 0.18220 -0.11499
|
|
335 13F-3 -0.02794 -0.23503 0.12068 -0.22219 0.11061
|
|
336 14F 0 -0.15933 0.14516 0.06119 -0.01813 -0.03194
|
|
337 14F+1 0.09731 0.01134 0.01933 -0.00399 0.05326
|
|
338 14F-1 0.26592 -0.05610 -0.03678 -0.15179 0.18194
|
|
339 14F+2 -0.01528 -0.04875 0.00080 0.07428 -0.02943
|
|
340 14F-2 0.00477 0.14348 0.16036 0.13523 -0.06295
|
|
341 14F+3 0.03209 -0.24948 0.03190 -0.12344 0.07721
|
|
342 14F-3 0.07929 0.23429 -0.12819 0.12151 -0.04920
|
|
343 15G 0 0.18931 0.13240 -0.12785 0.03330 0.03644
|
|
344 15G+1 -0.22702 -0.07739 0.06605 0.05203 -0.08191
|
|
345 15G-1 -0.17506 -0.14135 0.05294 -0.02735 0.00484
|
|
346 15G+2 0.09895 -0.06159 -0.07442 -0.12414 0.04036
|
|
347 15G-2 0.17142 0.23027 -0.33458 0.05023 0.02260
|
|
348 15G+3 0.03966 0.11619 -0.05527 0.04608 -0.03011
|
|
349 15G-3 -0.09474 -0.17943 -0.00176 -0.07090 0.02580
|
|
350 15G+4 0.26573 0.24784 -0.18407 0.06616 0.01840
|
|
351 15G-4 -0.22694 0.03337 0.13399 0.10936 -0.06125
|
|
352 6 H 1S -0.03962 -0.01593 0.16247 -0.00947 -0.00733
|
|
353 2S -0.33575 0.29825 -0.22258 -0.01651 -0.15547
|
|
354 3S 2.06757 -0.80694 -1.30296 0.11556 0.43419
|
|
355 4S 1.02269 -0.68998 -0.08796 -0.02302 0.22482
|
|
356 5S 0.09748 -0.04500 0.07480 0.01851 0.04179
|
|
357 6PX -0.00222 0.04425 0.02456 0.04231 -0.01143
|
|
358 6PY -0.00289 0.01502 -0.02483 -0.00062 -0.02258
|
|
359 6PZ 0.04361 -0.00277 -0.01928 0.02113 -0.00401
|
|
360 7PX 0.09738 -0.10263 -0.01189 0.00979 0.04858
|
|
361 7PY 0.04251 -0.04909 0.04161 0.00375 0.02771
|
|
362 7PZ -0.21465 0.13388 -0.01382 -0.01618 -0.09271
|
|
363 8PX -0.60960 0.32781 0.19529 0.01736 -0.17968
|
|
364 8PY -0.70144 0.36229 0.22942 -0.05395 -0.28457
|
|
365 8PZ 1.03334 -0.49574 -0.43700 0.11983 0.29029
|
|
366 9PX -0.32521 0.28428 0.02324 -0.07471 -0.17740
|
|
367 9PY -0.27728 0.21299 -0.07001 0.00628 0.00174
|
|
368 9PZ 0.62513 -0.35443 -0.01219 0.02455 0.28738
|
|
369 10D 0 0.27924 0.18068 -0.06382 0.03798 -0.01931
|
|
370 10D+1 0.06014 0.16286 0.10335 0.02965 -0.09241
|
|
371 10D-1 -0.05450 0.08705 -0.12637 -0.17710 0.12076
|
|
372 10D+2 0.08377 -0.18859 -0.19061 0.02256 -0.06359
|
|
373 10D-2 0.05148 -0.05147 0.00739 -0.35670 0.11651
|
|
374 11D 0 -0.24690 -0.14522 0.01509 0.01072 -0.01812
|
|
375 11D+1 -0.10365 -0.11171 -0.07671 0.01467 0.08561
|
|
376 11D-1 -0.09754 0.01753 0.17280 0.08285 -0.16191
|
|
377 11D+2 -0.11080 0.18101 0.16838 -0.03930 0.02855
|
|
378 11D-2 0.05632 0.01827 -0.03273 0.21302 -0.01832
|
|
379 12D 0 0.26879 -0.12031 -0.04233 0.01264 0.11945
|
|
380 12D+1 -0.31351 0.22369 0.06257 -0.04795 -0.17315
|
|
381 12D-1 -0.43015 0.14774 -0.09343 -0.03239 -0.17326
|
|
382 12D+2 0.08095 -0.03907 -0.02937 0.02822 0.02709
|
|
383 12D-2 0.09932 -0.36006 0.02016 -0.00005 0.01283
|
|
384 13F 0 0.15957 0.22693 0.04729 0.01806 0.02744
|
|
385 13F+1 0.05746 0.03622 -0.06058 -0.00007 0.05176
|
|
386 13F-1 0.20437 0.15241 0.02860 -0.31042 0.18718
|
|
387 13F+2 -0.03228 -0.05875 -0.02337 -0.09397 0.00854
|
|
388 13F-2 0.07102 0.11039 0.17646 -0.24537 0.15792
|
|
389 13F+3 0.08527 0.24515 -0.00431 -0.18220 0.11499
|
|
390 13F-3 0.02794 -0.23503 0.12068 0.22219 -0.11061
|
|
391 14F 0 -0.15933 -0.14516 -0.06119 -0.01813 -0.03194
|
|
392 14F+1 -0.09731 0.01134 0.01933 0.00399 -0.05326
|
|
393 14F-1 -0.26592 -0.05610 -0.03678 0.15179 -0.18194
|
|
394 14F+2 -0.01528 0.04875 -0.00080 0.07428 -0.02943
|
|
395 14F-2 0.00477 -0.14348 -0.16036 0.13523 -0.06295
|
|
396 14F+3 -0.03209 -0.24948 0.03190 0.12344 -0.07721
|
|
397 14F-3 -0.07929 0.23429 -0.12819 -0.12151 0.04920
|
|
398 15G 0 -0.18931 0.13240 -0.12785 -0.03330 -0.03644
|
|
399 15G+1 -0.22702 0.07739 -0.06605 0.05203 -0.08191
|
|
400 15G-1 -0.17506 0.14135 -0.05294 -0.02735 0.00484
|
|
401 15G+2 -0.09895 -0.06159 -0.07442 0.12414 -0.04036
|
|
402 15G-2 -0.17142 0.23027 -0.33458 -0.05023 -0.02260
|
|
403 15G+3 0.03966 -0.11619 0.05527 0.04608 -0.03011
|
|
404 15G-3 -0.09474 0.17943 0.00176 -0.07090 0.02580
|
|
405 15G+4 -0.26573 0.24784 -0.18407 -0.06616 -0.01840
|
|
406 15G-4 0.22694 0.03337 0.13399 -0.10936 0.06125
|
|
336 337 338 339 340
|
|
V V V V V
|
|
Eigenvalues -- 13.77028 13.87091 13.91542 13.92793 13.94327
|
|
1 1 C 1S -0.00197 -0.00173 0.00000 0.00000 0.00316
|
|
2 2S 0.02898 0.00325 0.00000 0.00000 -0.01862
|
|
3 3S 0.19810 0.06932 0.00000 0.00000 -0.12139
|
|
4 4S -1.09777 -0.96620 0.00000 0.00000 0.04987
|
|
5 5S 2.47903 2.36416 0.00000 0.00000 1.84978
|
|
6 6S 0.13105 -0.83234 0.00000 0.00000 0.78133
|
|
7 7PX 0.03000 -0.08283 0.00000 0.00000 0.05088
|
|
8 7PY -0.03486 0.11727 0.00000 0.00000 0.02655
|
|
9 7PZ 0.00000 0.00000 -0.01800 0.05410 0.00000
|
|
10 8PX -0.02699 0.45298 0.00000 0.00000 -0.15661
|
|
11 8PY 0.11823 -0.60839 0.00000 0.00000 -0.07612
|
|
12 8PZ 0.00000 0.00000 0.02805 -0.20414 0.00000
|
|
13 9PX 0.10073 -0.20246 0.00000 0.00000 0.03500
|
|
14 9PY -0.25674 1.73308 0.00000 0.00000 0.06031
|
|
15 9PZ 0.00000 0.00000 0.45406 -0.17801 0.00000
|
|
16 10PX -0.25372 -0.84838 0.00000 0.00000 -0.28891
|
|
17 10PY -0.31504 1.93398 0.00000 0.00000 0.39099
|
|
18 10PZ 0.00000 0.00000 0.54126 0.26548 0.00000
|
|
19 11PX 0.07852 -0.11470 0.00000 0.00000 0.12012
|
|
20 11PY 0.01273 0.08274 0.00000 0.00000 -0.00925
|
|
21 11PZ 0.00000 0.00000 -0.00915 -0.02204 0.00000
|
|
22 12D 0 -0.01318 -0.03527 0.00000 0.00000 0.05003
|
|
23 12D+1 0.00000 0.00000 -0.04163 0.06932 0.00000
|
|
24 12D-1 0.00000 0.00000 -0.03020 0.00491 0.00000
|
|
25 12D+2 0.02126 0.15859 0.00000 0.00000 0.01726
|
|
26 12D-2 -0.06757 0.06179 0.00000 0.00000 0.01546
|
|
27 13D 0 0.06767 0.05692 0.00000 0.00000 -0.10548
|
|
28 13D+1 0.00000 0.00000 0.06890 -0.09601 0.00000
|
|
29 13D-1 0.00000 0.00000 0.07612 -0.08411 0.00000
|
|
30 13D+2 -0.02969 -0.37041 0.00000 0.00000 -0.01562
|
|
31 13D-2 0.13828 -0.04864 0.00000 0.00000 -0.03732
|
|
32 14D 0 -0.29745 0.52319 0.00000 0.00000 0.35225
|
|
33 14D+1 0.00000 0.00000 0.13026 -0.21237 0.00000
|
|
34 14D-1 0.00000 0.00000 0.04298 0.21087 0.00000
|
|
35 14D+2 0.12322 0.53441 0.00000 0.00000 -0.03329
|
|
36 14D-2 -0.32505 -0.08137 0.00000 0.00000 -0.05287
|
|
37 15D 0 -0.04374 0.18223 0.00000 0.00000 0.23578
|
|
38 15D+1 0.00000 0.00000 0.07452 0.09388 0.00000
|
|
39 15D-1 0.00000 0.00000 0.09893 -0.01356 0.00000
|
|
40 15D+2 0.01180 0.46089 0.00000 0.00000 0.16169
|
|
41 15D-2 0.01426 0.09097 0.00000 0.00000 -0.32246
|
|
42 16F 0 0.00000 0.00000 0.07448 -0.12420 0.00000
|
|
43 16F+1 0.00385 -0.02469 0.00000 0.00000 -0.01779
|
|
44 16F-1 -0.06382 -0.00742 0.00000 0.00000 -0.02160
|
|
45 16F+2 0.00000 0.00000 -0.05928 0.12358 0.00000
|
|
46 16F-2 0.00000 0.00000 -0.00367 -0.02109 0.00000
|
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306 7PY 0.00465 -0.00584 -0.00543 0.02541 0.01250
|
|
307 7PZ 0.01727 -0.01044 -0.02055 0.07082 0.03323
|
|
308 8PX -0.06497 0.39905 0.02426 0.09228 0.14299
|
|
309 8PY 0.07357 0.14101 0.08197 -0.18343 0.02744
|
|
310 8PZ 0.06007 0.25605 0.20994 -0.21819 0.06551
|
|
311 9PX -0.08198 0.23804 0.13141 -0.07101 0.16720
|
|
312 9PY -0.00752 -0.08032 0.01755 0.00440 0.12696
|
|
313 9PZ -0.02255 0.10055 0.13774 -0.13765 -0.00605
|
|
314 10D 0 0.00353 0.04785 -0.01818 0.07823 0.05000
|
|
315 10D+1 0.03745 -0.02573 -0.00967 0.00671 0.00706
|
|
316 10D-1 -0.04670 -0.09833 0.08513 -0.22395 -0.07200
|
|
317 10D+2 -0.01808 -0.01288 0.10767 -0.13395 -0.09704
|
|
318 10D-2 0.04146 0.17132 -0.07416 0.27579 0.06600
|
|
319 11D 0 -0.01074 -0.01741 -0.04736 -0.00038 -0.04964
|
|
320 11D+1 -0.02953 -0.04340 0.04219 -0.08977 -0.02090
|
|
321 11D-1 0.03954 0.10293 -0.12684 0.29413 0.07258
|
|
322 11D+2 0.01575 -0.04444 -0.06282 0.05514 0.08486
|
|
323 11D-2 -0.03764 -0.19536 0.08880 -0.29002 -0.06734
|
|
324 12D 0 -0.01400 0.04203 -0.05845 0.15906 0.08156
|
|
325 12D+1 0.06258 -0.15103 -0.05593 0.02470 -0.02958
|
|
326 12D-1 -0.03155 0.03544 0.01111 0.00450 -0.05238
|
|
327 12D+2 0.01480 -0.07763 0.01550 -0.04868 -0.11572
|
|
328 12D-2 0.04474 -0.01111 -0.06208 0.18678 0.00858
|
|
329 13F 0 0.00318 -0.04198 0.05153 -0.05822 -0.00782
|
|
330 13F+1 -0.00469 0.01196 -0.00917 0.01263 0.00894
|
|
331 13F-1 -0.03251 0.01374 0.05169 -0.09744 -0.03367
|
|
332 13F+2 -0.00252 0.00406 -0.04802 0.06398 -0.01036
|
|
333 13F-2 -0.04228 -0.04797 -0.03732 0.05254 -0.02568
|
|
334 13F+3 -0.01984 0.07375 -0.00536 -0.00235 -0.01477
|
|
335 13F-3 0.04890 0.03124 -0.05165 0.09855 -0.01979
|
|
336 14F 0 0.00484 0.01440 -0.00682 -0.01477 -0.01100
|
|
337 14F+1 -0.00376 0.00117 0.01271 -0.00036 -0.01879
|
|
338 14F-1 0.03085 -0.04372 -0.00208 0.00443 0.02569
|
|
339 14F+2 0.00272 0.04517 0.01601 -0.00153 0.02866
|
|
340 14F-2 0.03118 0.05861 0.02594 -0.04456 0.01909
|
|
341 14F+3 0.02972 -0.03512 -0.00013 0.01898 0.01974
|
|
342 14F-3 -0.04428 0.00385 0.03155 -0.07300 0.02618
|
|
343 15G 0 -0.00083 0.02786 0.03003 -0.01759 0.03135
|
|
344 15G+1 0.00928 -0.00471 0.00416 -0.00142 0.01375
|
|
345 15G-1 -0.00031 -0.01495 0.03486 -0.08412 -0.02820
|
|
346 15G+2 0.02283 0.06685 -0.02298 0.05037 -0.00615
|
|
347 15G-2 -0.06433 -0.04085 0.01222 -0.02362 -0.01262
|
|
348 15G+3 -0.01872 -0.03735 0.00230 -0.01112 -0.00509
|
|
349 15G-3 0.01605 0.02150 -0.02058 0.06025 -0.01732
|
|
350 15G+4 -0.03970 -0.04139 0.00778 -0.05209 0.00462
|
|
351 15G-4 -0.01663 -0.01086 -0.00100 0.00873 -0.00623
|
|
352 6 H 1S 0.02026 0.02705 0.01252 -0.01994 0.05428
|
|
353 2S -0.06506 -0.00245 -0.08260 0.16746 -0.13867
|
|
354 3S -0.33151 -1.26532 0.42360 -0.19063 -0.27162
|
|
355 4S 0.11318 -0.13828 0.40977 0.01443 -0.42831
|
|
356 5S -0.04035 0.05072 -0.03285 -0.05834 -0.06120
|
|
357 6PX -0.00330 0.00527 0.03344 -0.03990 -0.00210
|
|
358 6PY -0.00683 -0.00568 -0.00793 0.01481 -0.00416
|
|
359 6PZ 0.00502 -0.00019 0.01581 -0.02386 -0.00080
|
|
360 7PX 0.01958 0.00796 0.01001 -0.03474 0.00423
|
|
361 7PY 0.00465 -0.00584 0.00543 -0.02541 0.01250
|
|
362 7PZ -0.01727 0.01044 -0.02055 0.07082 -0.03323
|
|
363 8PX -0.06497 0.39905 -0.02426 -0.09228 0.14299
|
|
364 8PY 0.07357 0.14101 -0.08197 0.18343 0.02744
|
|
365 8PZ -0.06007 -0.25605 0.20994 -0.21819 -0.06551
|
|
366 9PX -0.08198 0.23804 -0.13141 0.07101 0.16720
|
|
367 9PY -0.00752 -0.08032 -0.01755 -0.00440 0.12696
|
|
368 9PZ 0.02255 -0.10055 0.13774 -0.13765 0.00605
|
|
369 10D 0 0.00353 0.04785 0.01818 -0.07823 0.05000
|
|
370 10D+1 -0.03745 0.02573 -0.00967 0.00671 -0.00706
|
|
371 10D-1 0.04670 0.09833 0.08513 -0.22395 0.07200
|
|
372 10D+2 -0.01808 -0.01288 -0.10767 0.13395 -0.09704
|
|
373 10D-2 0.04146 0.17132 0.07416 -0.27579 0.06600
|
|
374 11D 0 -0.01074 -0.01741 0.04736 0.00038 -0.04964
|
|
375 11D+1 0.02953 0.04340 0.04219 -0.08977 0.02090
|
|
376 11D-1 -0.03954 -0.10293 -0.12684 0.29413 -0.07258
|
|
377 11D+2 0.01575 -0.04444 0.06282 -0.05514 0.08486
|
|
378 11D-2 -0.03764 -0.19536 -0.08880 0.29002 -0.06734
|
|
379 12D 0 -0.01400 0.04203 0.05845 -0.15906 0.08156
|
|
380 12D+1 -0.06258 0.15103 -0.05593 0.02470 0.02958
|
|
381 12D-1 0.03155 -0.03544 0.01111 0.00450 0.05238
|
|
382 12D+2 0.01480 -0.07763 -0.01550 0.04868 -0.11572
|
|
383 12D-2 0.04474 -0.01111 0.06208 -0.18678 0.00858
|
|
384 13F 0 -0.00318 0.04198 0.05153 -0.05822 0.00782
|
|
385 13F+1 -0.00469 0.01196 0.00917 -0.01263 0.00894
|
|
386 13F-1 -0.03251 0.01374 -0.05169 0.09744 -0.03367
|
|
387 13F+2 0.00252 -0.00406 -0.04802 0.06398 0.01036
|
|
388 13F-2 0.04228 0.04797 -0.03732 0.05254 0.02568
|
|
389 13F+3 -0.01984 0.07375 0.00536 0.00235 -0.01477
|
|
390 13F-3 0.04890 0.03124 0.05165 -0.09855 -0.01979
|
|
391 14F 0 -0.00484 -0.01440 -0.00682 -0.01477 0.01100
|
|
392 14F+1 -0.00376 0.00117 -0.01271 0.00036 -0.01879
|
|
393 14F-1 0.03085 -0.04372 0.00208 -0.00443 0.02569
|
|
394 14F+2 -0.00272 -0.04517 0.01601 -0.00153 -0.02866
|
|
395 14F-2 -0.03118 -0.05861 0.02594 -0.04456 -0.01909
|
|
396 14F+3 0.02972 -0.03512 0.00013 -0.01898 0.01974
|
|
397 14F-3 -0.04428 0.00385 -0.03155 0.07300 0.02618
|
|
398 15G 0 -0.00083 0.02786 -0.03003 0.01759 0.03135
|
|
399 15G+1 -0.00928 0.00471 0.00416 -0.00142 -0.01375
|
|
400 15G-1 0.00031 0.01495 0.03486 -0.08412 0.02820
|
|
401 15G+2 0.02283 0.06685 0.02298 -0.05037 -0.00615
|
|
402 15G-2 -0.06433 -0.04085 -0.01222 0.02362 -0.01262
|
|
403 15G+3 0.01872 0.03735 0.00230 -0.01112 0.00509
|
|
404 15G-3 -0.01605 -0.02150 -0.02058 0.06025 0.01732
|
|
405 15G+4 -0.03970 -0.04139 -0.00778 0.05209 0.00462
|
|
406 15G-4 -0.01663 -0.01086 0.00100 -0.00873 -0.00623
|
|
341 342 343 344 345
|
|
V V V V V
|
|
Eigenvalues -- 13.99955 14.05747 14.05778 14.09450 14.11759
|
|
1 1 C 1S 0.00000 0.00000 0.00156 0.00795 0.00752
|
|
2 2S 0.00000 0.00000 0.01150 -0.00167 -0.02552
|
|
3 3S 0.00000 0.00000 0.06987 0.02978 -0.08303
|
|
4 4S 0.00000 0.00000 -0.33375 -0.87326 -0.87541
|
|
5 5S 0.00000 0.00000 0.52054 1.92010 2.53966
|
|
6 6S 0.00000 0.00000 -0.33611 -0.29655 -0.22087
|
|
7 7PX 0.00000 0.00000 0.06852 0.01928 -0.04066
|
|
8 7PY 0.00000 0.00000 0.02076 0.00770 0.02469
|
|
9 7PZ 0.00855 0.04118 0.00000 0.00000 0.00000
|
|
10 8PX 0.00000 0.00000 -0.20513 0.04497 0.07430
|
|
11 8PY 0.00000 0.00000 -0.04317 -0.02264 -0.26421
|
|
12 8PZ -0.05501 -0.24288 0.00000 0.00000 0.00000
|
|
13 9PX 0.00000 0.00000 0.31563 -0.18822 0.13147
|
|
14 9PY 0.00000 0.00000 -0.15293 -0.54252 0.82393
|
|
15 9PZ -0.06261 0.16039 0.00000 0.00000 0.00000
|
|
16 10PX 0.00000 0.00000 0.66299 -1.52604 0.96241
|
|
17 10PY 0.00000 0.00000 -0.26275 0.89099 2.48003
|
|
18 10PZ 0.06868 1.89427 0.00000 0.00000 0.00000
|
|
19 11PX 0.00000 0.00000 -0.10863 -0.07982 -0.03678
|
|
20 11PY 0.00000 0.00000 -0.00460 0.17483 0.17199
|
|
21 11PZ 0.00283 0.00644 0.00000 0.00000 0.00000
|
|
22 12D 0 0.00000 0.00000 -0.00817 0.01889 -0.08119
|
|
23 12D+1 0.01949 -0.03888 0.00000 0.00000 0.00000
|
|
24 12D-1 -0.02513 0.01716 0.00000 0.00000 0.00000
|
|
25 12D+2 0.00000 0.00000 0.02070 -0.07730 0.02402
|
|
26 12D-2 0.00000 0.00000 0.19727 0.14362 -0.10411
|
|
27 13D 0 0.00000 0.00000 -0.03796 -0.00339 0.06655
|
|
28 13D+1 -0.00323 -0.01030 0.00000 0.00000 0.00000
|
|
29 13D-1 -0.00708 -0.01195 0.00000 0.00000 0.00000
|
|
30 13D+2 0.00000 0.00000 0.01624 0.13309 -0.07464
|
|
31 13D-2 0.00000 0.00000 -0.21588 -0.22320 0.18947
|
|
32 14D 0 0.00000 0.00000 1.02007 0.20587 0.13841
|
|
33 14D+1 -0.30947 0.39693 0.00000 0.00000 0.00000
|
|
34 14D-1 0.14823 0.32894 0.00000 0.00000 0.00000
|
|
35 14D+2 0.00000 0.00000 -0.60629 -0.03188 0.25295
|
|
36 14D-2 0.00000 0.00000 -0.19852 -0.26690 0.33207
|
|
37 15D 0 0.00000 0.00000 0.60174 0.03487 0.73121
|
|
38 15D+1 -0.07511 0.80981 0.00000 0.00000 0.00000
|
|
39 15D-1 0.14825 0.68300 0.00000 0.00000 0.00000
|
|
40 15D+2 0.00000 0.00000 -0.43393 0.82781 0.52683
|
|
41 15D-2 0.00000 0.00000 0.00154 -0.41831 0.79751
|
|
42 16F 0 0.18645 -0.12340 0.00000 0.00000 0.00000
|
|
43 16F+1 0.00000 0.00000 -0.04598 -0.03557 -0.07065
|
|
44 16F-1 0.00000 0.00000 0.05130 -0.00910 -0.05554
|
|
45 16F+2 -0.11835 -0.13037 0.00000 0.00000 0.00000
|
|
46 16F-2 -0.02591 0.02633 0.00000 0.00000 0.00000
|
|
47 16F+3 0.00000 0.00000 -0.17017 0.03888 -0.04615
|
|
48 16F-3 0.00000 0.00000 -0.11353 -0.08498 -0.00323
|
|
49 17F 0 -0.36868 0.14885 0.00000 0.00000 0.00000
|
|
50 17F+1 0.00000 0.00000 0.11502 -0.02343 0.02754
|
|
51 17F-1 0.00000 0.00000 -0.11019 0.18362 0.17127
|
|
52 17F+2 0.19507 0.15340 0.00000 0.00000 0.00000
|
|
53 17F-2 0.03906 -0.15806 0.00000 0.00000 0.00000
|
|
54 17F+3 0.00000 0.00000 0.29220 -0.00853 0.02239
|
|
55 17F-3 0.00000 0.00000 0.17379 0.26462 0.26496
|
|
56 18F 0 0.27761 -0.38256 0.00000 0.00000 0.00000
|
|
57 18F+1 0.00000 0.00000 0.07216 -0.29819 -0.36465
|
|
58 18F-1 0.00000 0.00000 -0.09469 0.43324 0.18137
|
|
59 18F+2 -0.20385 -0.46253 0.00000 0.00000 0.00000
|
|
60 18F-2 -0.04237 -0.40074 0.00000 0.00000 0.00000
|
|
61 18F+3 0.00000 0.00000 -0.42242 0.27695 -0.24516
|
|
62 18F-3 0.00000 0.00000 -0.00420 0.36885 0.43704
|
|
63 19G 0 0.00000 0.00000 -0.17032 -0.08967 0.07422
|
|
64 19G+1 -0.02020 0.06428 0.00000 0.00000 0.00000
|
|
65 19G-1 -0.09249 -0.02381 0.00000 0.00000 0.00000
|
|
66 19G+2 0.00000 0.00000 0.05370 -0.00034 0.06970
|
|
67 19G-2 0.00000 0.00000 -0.03810 -0.01791 -0.00108
|
|
68 19G+3 0.01058 0.01591 0.00000 0.00000 0.00000
|
|
69 19G-3 0.16475 -0.03015 0.00000 0.00000 0.00000
|
|
70 19G+4 0.00000 0.00000 0.08829 0.11550 -0.04106
|
|
71 19G-4 0.00000 0.00000 -0.07721 0.01280 -0.00843
|
|
72 20G 0 0.00000 0.00000 0.38221 0.13548 -0.05595
|
|
73 20G+1 0.08195 0.16972 0.00000 0.00000 0.00000
|
|
74 20G-1 -0.07256 0.03720 0.00000 0.00000 0.00000
|
|
75 20G+2 0.00000 0.00000 0.12412 -0.04540 -0.10605
|
|
76 20G-2 0.00000 0.00000 0.06069 0.07671 0.17922
|
|
77 20G+3 -0.13752 0.14806 0.00000 0.00000 0.00000
|
|
78 20G-3 -0.00926 0.06212 0.00000 0.00000 0.00000
|
|
79 20G+4 0.00000 0.00000 -0.33256 -0.10245 -0.11479
|
|
80 20G-4 0.00000 0.00000 -0.05753 -0.13673 -0.07976
|
|
81 21H 0 -0.00305 -0.07114 0.00000 0.00000 0.00000
|
|
82 21H+1 0.00000 0.00000 0.10587 -0.03137 0.01606
|
|
83 21H-1 0.00000 0.00000 0.10395 0.12761 -0.02091
|
|
84 21H+2 -0.04061 0.04283 0.00000 0.00000 0.00000
|
|
85 21H-2 0.02191 0.09946 0.00000 0.00000 0.00000
|
|
86 21H+3 0.00000 0.00000 -0.02137 -0.00259 -0.04580
|
|
87 21H-3 0.00000 0.00000 -0.02324 -0.03644 0.08896
|
|
88 21H+4 -0.01369 -0.01014 0.00000 0.00000 0.00000
|
|
89 21H-4 -0.03375 0.00010 0.00000 0.00000 0.00000
|
|
90 21H+5 0.00000 0.00000 0.07236 -0.01022 0.01083
|
|
91 21H-5 0.00000 0.00000 -0.03907 0.03576 0.08866
|
|
92 2 S 1S 0.00000 0.00000 -0.00047 0.00090 -0.00257
|
|
93 2S 0.00000 0.00000 0.00419 -0.00533 0.00210
|
|
94 3S 0.00000 0.00000 -0.01958 0.03442 -0.06931
|
|
95 4S 0.00000 0.00000 -0.07562 0.15702 -0.29849
|
|
96 5S 0.00000 0.00000 0.02692 -0.30588 0.31401
|
|
97 6S 0.00000 0.00000 0.23609 0.51110 0.94981
|
|
98 7S 0.00000 0.00000 -0.17372 -0.09450 0.00249
|
|
99 8PX 0.00000 0.00000 -0.00388 0.00863 -0.02436
|
|
100 8PY 0.00000 0.00000 -0.00088 0.00311 0.01040
|
|
101 8PZ 0.00116 -0.01542 0.00000 0.00000 0.00000
|
|
102 9PX 0.00000 0.00000 -0.00195 0.00610 -0.01339
|
|
103 9PY 0.00000 0.00000 0.00255 0.00673 -0.00290
|
|
104 9PZ -0.00419 -0.00754 0.00000 0.00000 0.00000
|
|
105 10PX 0.00000 0.00000 0.01839 0.02046 -0.00277
|
|
106 10PY 0.00000 0.00000 0.04156 0.05723 -0.14760
|
|
107 10PZ -0.08036 0.06177 0.00000 0.00000 0.00000
|
|
108 11PX 0.00000 0.00000 -0.10766 -0.25104 0.40340
|
|
109 11PY 0.00000 0.00000 -0.00089 -0.04928 0.31009
|
|
110 11PZ 0.22334 -0.15599 0.00000 0.00000 0.00000
|
|
111 12PX 0.00000 0.00000 0.30348 0.34219 -0.57946
|
|
112 12PY 0.00000 0.00000 -0.81299 -0.61718 1.05769
|
|
113 12PZ 0.30602 0.05169 0.00000 0.00000 0.00000
|
|
114 13PX 0.00000 0.00000 0.00833 -0.00448 -0.02509
|
|
115 13PY 0.00000 0.00000 -0.08095 -0.08468 -0.01651
|
|
116 13PZ 0.01974 0.01644 0.00000 0.00000 0.00000
|
|
117 14D 0 0.00000 0.00000 0.01949 0.20816 0.14612
|
|
118 14D+1 0.20573 -0.05140 0.00000 0.00000 0.00000
|
|
119 14D-1 0.10583 0.04451 0.00000 0.00000 0.00000
|
|
120 14D+2 0.00000 0.00000 0.46240 0.47820 -0.50680
|
|
121 14D-2 0.00000 0.00000 -0.36839 -0.14847 0.35792
|
|
122 15D 0 0.00000 0.00000 -0.04969 0.07946 -0.12234
|
|
123 15D+1 0.25647 0.02902 0.00000 0.00000 0.00000
|
|
124 15D-1 -0.09477 -0.23452 0.00000 0.00000 0.00000
|
|
125 15D+2 0.00000 0.00000 0.01831 -0.08638 0.07033
|
|
126 15D-2 0.00000 0.00000 -0.43108 -0.22090 0.08379
|
|
127 16D 0 0.00000 0.00000 0.01041 -0.03165 -0.04693
|
|
128 16D+1 0.00680 -0.00679 0.00000 0.00000 0.00000
|
|
129 16D-1 0.03446 0.11398 0.00000 0.00000 0.00000
|
|
130 16D+2 0.00000 0.00000 -0.05102 -0.06850 0.09534
|
|
131 16D-2 0.00000 0.00000 0.10261 -0.02671 0.00723
|
|
132 17D 0 0.00000 0.00000 -0.00266 0.01343 0.02658
|
|
133 17D+1 -0.02088 0.00208 0.00000 0.00000 0.00000
|
|
134 17D-1 -0.01074 -0.04839 0.00000 0.00000 0.00000
|
|
135 17D+2 0.00000 0.00000 0.02330 0.03662 -0.03828
|
|
136 17D-2 0.00000 0.00000 -0.02515 0.03034 -0.01184
|
|
137 18F 0 -0.06737 -0.04023 0.00000 0.00000 0.00000
|
|
138 18F+1 0.00000 0.00000 -0.01181 -0.07829 0.09540
|
|
139 18F-1 0.00000 0.00000 0.08090 0.23130 -0.01034
|
|
140 18F+2 0.01035 0.02057 0.00000 0.00000 0.00000
|
|
141 18F-2 0.07489 -0.06448 0.00000 0.00000 0.00000
|
|
142 18F+3 0.00000 0.00000 0.16941 0.03377 -0.25828
|
|
143 18F-3 0.00000 0.00000 -0.06101 0.07132 0.02930
|
|
144 19F 0 -0.12816 0.03921 0.00000 0.00000 0.00000
|
|
145 19F+1 0.00000 0.00000 -0.01265 0.01111 0.02879
|
|
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395 14F-2 0.09735 -0.13011 -0.16042 -0.05545 -0.03011
|
|
396 14F+3 0.10025 -0.01167 -0.20810 0.13399 -0.01273
|
|
397 14F-3 -0.06185 0.23774 0.01670 0.12312 0.13855
|
|
398 15G 0 0.03972 -0.10618 0.05527 0.09888 -0.21029
|
|
399 15G+1 0.04843 -0.17194 0.14243 -0.10148 -0.07416
|
|
400 15G-1 0.10785 0.01761 -0.12447 0.09245 0.05255
|
|
401 15G+2 0.04137 0.09533 -0.02883 0.11138 -0.02864
|
|
402 15G-2 0.02760 -0.01471 -0.07604 -0.07729 0.05691
|
|
403 15G+3 0.06616 -0.05750 -0.02898 0.13576 -0.03369
|
|
404 15G-3 -0.10138 0.12718 -0.07841 0.02357 0.12930
|
|
405 15G+4 -0.05196 0.07953 -0.00254 -0.05877 0.10361
|
|
406 15G-4 0.02171 -0.06982 0.01621 -0.10894 -0.00973
|
|
346 347 348 349 350
|
|
V V V V V
|
|
Eigenvalues -- 14.11861 14.15275 14.20926 14.24395 14.29989
|
|
1 1 C 1S 0.00000 0.01053 0.00000 -0.00165 0.00156
|
|
2 2S 0.00000 -0.00541 0.00000 -0.03793 -0.01406
|
|
3 3S 0.00000 -0.02990 0.00000 -0.22182 -0.04216
|
|
4 4S 0.00000 -0.23969 0.00000 0.87844 -0.23248
|
|
5 5S 0.00000 0.51191 0.00000 -1.01051 0.79959
|
|
6 6S 0.00000 -0.28490 0.00000 0.56799 -0.25017
|
|
7 7PX 0.00000 -0.02334 0.00000 0.06805 0.27564
|
|
8 7PY 0.00000 -0.01694 0.00000 -0.02823 -0.01424
|
|
9 7PZ -0.11348 0.00000 -0.06262 0.00000 0.00000
|
|
10 8PX 0.00000 -0.03166 0.00000 -0.09001 -0.93244
|
|
11 8PY 0.00000 0.06382 0.00000 0.01626 0.03264
|
|
12 8PZ 0.14711 0.00000 0.22184 0.00000 0.00000
|
|
13 9PX 0.00000 0.74405 0.00000 -0.76086 0.78937
|
|
14 9PY 0.00000 -0.25305 0.00000 0.66981 -0.09621
|
|
15 9PZ 0.52717 0.00000 -0.13170 0.00000 0.00000
|
|
16 10PX 0.00000 0.91076 0.00000 -1.01400 -0.91474
|
|
17 10PY 0.00000 0.67147 0.00000 1.46481 0.06713
|
|
18 10PZ 1.05138 0.00000 0.05051 0.00000 0.00000
|
|
19 11PX 0.00000 -0.17973 0.00000 -0.02198 -0.16812
|
|
20 11PY 0.00000 0.04932 0.00000 0.01017 0.05016
|
|
21 11PZ 0.04328 0.00000 0.03164 0.00000 0.00000
|
|
22 12D 0 0.00000 -0.02652 0.00000 0.00445 0.16767
|
|
23 12D+1 -0.03225 0.00000 -0.03657 0.00000 0.00000
|
|
24 12D-1 -0.28576 0.00000 -0.04299 0.00000 0.00000
|
|
25 12D+2 0.00000 -0.01572 0.00000 -0.09172 -0.11751
|
|
26 12D-2 0.00000 -0.15383 0.00000 0.09722 0.04032
|
|
27 13D 0 0.00000 0.05393 0.00000 -0.00359 -0.06264
|
|
28 13D+1 0.10202 0.00000 0.06096 0.00000 0.00000
|
|
29 13D-1 0.41425 0.00000 0.05680 0.00000 0.00000
|
|
30 13D+2 0.00000 0.01576 0.00000 0.05792 0.10366
|
|
31 13D-2 0.00000 0.26904 0.00000 -0.23382 -0.36203
|
|
32 14D 0 0.00000 -0.38705 0.00000 0.20832 -0.44690
|
|
33 14D+1 -1.00252 0.00000 -0.16835 0.00000 0.00000
|
|
34 14D-1 0.76296 0.00000 0.03638 0.00000 0.00000
|
|
35 14D+2 0.00000 0.22372 0.00000 0.43149 0.03207
|
|
36 14D-2 0.00000 0.32712 0.00000 -0.40553 0.93537
|
|
37 15D 0 0.00000 0.15138 0.00000 -0.13474 0.24577
|
|
38 15D+1 -0.14859 0.00000 -0.10669 0.00000 0.00000
|
|
39 15D-1 1.28701 0.00000 0.17535 0.00000 0.00000
|
|
40 15D+2 0.00000 -0.02258 0.00000 0.51305 -0.05856
|
|
41 15D-2 0.00000 0.97777 0.00000 -0.62988 -0.18149
|
|
42 16F 0 0.10079 0.00000 -0.21979 0.00000 0.00000
|
|
43 16F+1 0.00000 -0.01100 0.00000 -0.03773 0.02758
|
|
44 16F-1 0.00000 -0.07519 0.00000 0.14151 -0.03734
|
|
45 16F+2 0.12703 0.00000 0.21789 0.00000 0.00000
|
|
46 16F-2 -0.11488 0.00000 0.01911 0.00000 0.00000
|
|
47 16F+3 0.00000 0.12296 0.00000 -0.08793 0.07376
|
|
48 16F-3 0.00000 0.02375 0.00000 -0.01250 0.05456
|
|
49 17F 0 -0.31105 0.00000 0.47896 0.00000 0.00000
|
|
50 17F+1 0.00000 0.01746 0.00000 0.11506 -0.06647
|
|
51 17F-1 0.00000 0.14564 0.00000 -0.31778 0.05125
|
|
52 17F+2 -0.32382 0.00000 -0.49608 0.00000 0.00000
|
|
53 17F-2 0.17376 0.00000 -0.05113 0.00000 0.00000
|
|
54 17F+3 0.00000 -0.32893 0.00000 0.28847 -0.27460
|
|
55 17F-3 0.00000 -0.09467 0.00000 0.09467 -0.09523
|
|
56 18F 0 0.12889 0.00000 -0.39818 0.00000 0.00000
|
|
57 18F+1 0.00000 0.09173 0.00000 -0.24411 -0.03145
|
|
58 18F-1 0.00000 0.07258 0.00000 0.05218 -0.06196
|
|
59 18F+2 0.22820 0.00000 0.23520 0.00000 0.00000
|
|
60 18F-2 -0.21664 0.00000 -0.00366 0.00000 0.00000
|
|
61 18F+3 0.00000 0.05503 0.00000 -0.30026 -0.20262
|
|
62 18F-3 0.00000 0.17055 0.00000 -0.26061 0.06443
|
|
63 19G 0 0.00000 0.11690 0.00000 -0.09209 0.19741
|
|
64 19G+1 -0.06032 0.00000 -0.02056 0.00000 0.00000
|
|
65 19G-1 0.12323 0.00000 -0.06575 0.00000 0.00000
|
|
66 19G+2 0.00000 0.01124 0.00000 -0.03892 -0.05563
|
|
67 19G-2 0.00000 0.01382 0.00000 -0.02378 0.01644
|
|
68 19G+3 0.27109 0.00000 -0.03014 0.00000 0.00000
|
|
69 19G-3 0.14249 0.00000 0.12086 0.00000 0.00000
|
|
70 19G+4 0.00000 -0.09121 0.00000 0.03756 -0.06594
|
|
71 19G-4 0.00000 0.04817 0.00000 -0.09304 0.03855
|
|
72 20G 0 0.00000 -0.18954 0.00000 0.03769 -0.94423
|
|
73 20G+1 -0.09830 0.00000 -0.05387 0.00000 0.00000
|
|
74 20G-1 -0.06880 0.00000 0.34869 0.00000 0.00000
|
|
75 20G+2 0.00000 -0.06805 0.00000 0.24755 0.50059
|
|
76 20G-2 0.00000 0.05264 0.00000 -0.06970 0.03710
|
|
77 20G+3 -0.55153 0.00000 0.09914 0.00000 0.00000
|
|
78 20G-3 -0.12062 0.00000 -0.56255 0.00000 0.00000
|
|
79 20G+4 0.00000 0.22339 0.00000 -0.05199 0.11765
|
|
80 20G-4 0.00000 0.08067 0.00000 0.07996 -0.01717
|
|
81 21H 0 0.04502 0.00000 -0.10925 0.00000 0.00000
|
|
82 21H+1 0.00000 -0.01084 0.00000 0.01000 -0.13537
|
|
83 21H-1 0.00000 -0.08266 0.00000 0.04822 -0.05223
|
|
84 21H+2 -0.07830 0.00000 -0.10030 0.00000 0.00000
|
|
85 21H-2 0.03846 0.00000 -0.02776 0.00000 0.00000
|
|
86 21H+3 0.00000 0.01149 0.00000 0.02439 -0.03895
|
|
87 21H-3 0.00000 0.03523 0.00000 -0.00497 0.21833
|
|
88 21H+4 0.04483 0.00000 0.12362 0.00000 0.00000
|
|
89 21H-4 -0.20870 0.00000 0.06859 0.00000 0.00000
|
|
90 21H+5 0.00000 -0.02047 0.00000 -0.00346 -0.10121
|
|
91 21H-5 0.00000 0.01600 0.00000 -0.03107 -0.19023
|
|
92 2 S 1S 0.00000 0.00294 0.00000 0.00130 -0.00054
|
|
93 2S 0.00000 0.01974 0.00000 0.02242 -0.00047
|
|
94 3S 0.00000 0.05748 0.00000 0.01313 -0.01953
|
|
95 4S 0.00000 0.46559 0.00000 0.30030 -0.13394
|
|
96 5S 0.00000 -0.89951 0.00000 -0.97093 0.24509
|
|
97 6S 0.00000 -2.41216 0.00000 -1.24130 0.44775
|
|
98 7S 0.00000 -1.48958 0.00000 -0.66442 0.00769
|
|
99 8PX 0.00000 0.06701 0.00000 0.05553 -0.00468
|
|
100 8PY 0.00000 -0.01821 0.00000 -0.01084 -0.00087
|
|
101 8PZ 0.00933 0.00000 -0.00176 0.00000 0.00000
|
|
102 9PX 0.00000 0.02258 0.00000 0.01419 -0.00066
|
|
103 9PY 0.00000 0.00378 0.00000 -0.01142 0.00241
|
|
104 9PZ 0.00557 0.00000 -0.00203 0.00000 0.00000
|
|
105 10PX 0.00000 -0.11395 0.00000 -0.16524 -0.01510
|
|
106 10PY 0.00000 0.22891 0.00000 -0.04469 0.04573
|
|
107 10PZ -0.01688 0.00000 -0.00268 0.00000 0.00000
|
|
108 11PX 0.00000 -1.13306 0.00000 -0.60926 0.25105
|
|
109 11PY 0.00000 -0.53770 0.00000 -0.05411 -0.06839
|
|
110 11PZ -0.03484 0.00000 -0.01014 0.00000 0.00000
|
|
111 12PX 0.00000 -1.93839 0.00000 -2.56016 0.36136
|
|
112 12PY 0.00000 0.30872 0.00000 2.66177 -0.54669
|
|
113 12PZ 0.43901 0.00000 0.05456 0.00000 0.00000
|
|
114 13PX 0.00000 -0.35788 0.00000 -0.26860 0.02183
|
|
115 13PY 0.00000 -0.02298 0.00000 0.19313 -0.04427
|
|
116 13PZ -0.01882 0.00000 -0.00153 0.00000 0.00000
|
|
117 14D 0 0.00000 0.33151 0.00000 0.14204 0.02208
|
|
118 14D+1 -0.15434 0.00000 -0.02930 0.00000 0.00000
|
|
119 14D-1 0.28520 0.00000 0.06454 0.00000 0.00000
|
|
120 14D+2 0.00000 -0.70288 0.00000 -1.99477 0.27418
|
|
121 14D-2 0.00000 0.02234 0.00000 0.68793 -0.20726
|
|
122 15D 0 0.00000 0.09440 0.00000 -0.05385 -0.10475
|
|
123 15D+1 -0.11051 0.00000 -0.00228 0.00000 0.00000
|
|
124 15D-1 0.20354 0.00000 0.00072 0.00000 0.00000
|
|
125 15D+2 0.00000 -0.26616 0.00000 -0.01713 0.14566
|
|
126 15D-2 0.00000 -0.47748 0.00000 0.10782 -0.17959
|
|
127 16D 0 0.00000 0.23753 0.00000 0.20816 0.00398
|
|
128 16D+1 0.02833 0.00000 0.00324 0.00000 0.00000
|
|
129 16D-1 -0.09075 0.00000 0.00132 0.00000 0.00000
|
|
130 16D+2 0.00000 -0.30126 0.00000 -0.17467 -0.00090
|
|
131 16D-2 0.00000 0.14133 0.00000 0.15822 -0.00508
|
|
132 17D 0 0.00000 -0.08745 0.00000 -0.06588 -0.00314
|
|
133 17D+1 -0.00606 0.00000 -0.00315 0.00000 0.00000
|
|
134 17D-1 0.03405 0.00000 -0.00164 0.00000 0.00000
|
|
135 17D+2 0.00000 0.10085 0.00000 0.02863 0.00235
|
|
136 17D-2 0.00000 -0.02039 0.00000 -0.08232 0.01155
|
|
137 18F 0 -0.02520 0.00000 0.00521 0.00000 0.00000
|
|
138 18F+1 0.00000 0.08096 0.00000 0.12447 -0.00610
|
|
139 18F-1 0.00000 -0.02418 0.00000 -0.18392 0.07748
|
|
140 18F+2 -0.11329 0.00000 -0.04687 0.00000 0.00000
|
|
141 18F-2 -0.13384 0.00000 -0.00404 0.00000 0.00000
|
|
142 18F+3 0.00000 -0.05410 0.00000 -0.52209 0.01289
|
|
143 18F-3 0.00000 -0.03710 0.00000 -0.26324 -0.05358
|
|
144 19F 0 -0.05398 0.00000 0.03175 0.00000 0.00000
|
|
145 19F+1 0.00000 -0.10088 0.00000 -0.10279 -0.04160
|
|
146 19F-1 0.00000 0.08463 0.00000 -0.10345 -0.01366
|
|
147 19F+2 -0.12438 0.00000 -0.07592 0.00000 0.00000
|
|
148 19F-2 -0.09337 0.00000 -0.01852 0.00000 0.00000
|
|
149 19F+3 0.00000 0.05117 0.00000 0.47310 -0.04831
|
|
150 19F-3 0.00000 -0.26061 0.00000 0.02762 -0.03740
|
|
151 20F 0 0.02465 0.00000 -0.02518 0.00000 0.00000
|
|
152 20F+1 0.00000 0.09654 0.00000 0.06924 -0.00441
|
|
153 20F-1 0.00000 0.02233 0.00000 -0.01048 0.01837
|
|
154 20F+2 -0.00293 0.00000 0.02819 0.00000 0.00000
|
|
155 20F-2 0.04440 0.00000 0.00083 0.00000 0.00000
|
|
156 20F+3 0.00000 -0.16687 0.00000 -0.11154 0.02766
|
|
157 20F-3 0.00000 -0.02980 0.00000 0.14856 -0.03356
|
|
158 21G 0 0.00000 0.07436 0.00000 0.01255 0.03502
|
|
159 21G+1 0.05474 0.00000 0.01770 0.00000 0.00000
|
|
160 21G-1 0.00979 0.00000 0.05357 0.00000 0.00000
|
|
161 21G+2 0.00000 -0.04750 0.00000 0.00341 -0.02043
|
|
162 21G-2 0.00000 0.06767 0.00000 -0.05906 0.02055
|
|
163 21G+3 0.12206 0.00000 -0.03813 0.00000 0.00000
|
|
164 21G-3 -0.07314 0.00000 -0.10843 0.00000 0.00000
|
|
165 21G+4 0.00000 -0.00676 0.00000 0.29166 -0.04030
|
|
166 21G-4 0.00000 0.00674 0.00000 -0.09025 -0.09623
|
|
167 22G 0 0.00000 0.02009 0.00000 0.03234 0.01029
|
|
168 22G+1 0.01004 0.00000 -0.01128 0.00000 0.00000
|
|
169 22G-1 -0.02355 0.00000 -0.01691 0.00000 0.00000
|
|
170 22G+2 0.00000 -0.02780 0.00000 -0.04659 0.02046
|
|
171 22G-2 0.00000 0.04938 0.00000 -0.00969 0.00622
|
|
172 22G+3 -0.04431 0.00000 0.00355 0.00000 0.00000
|
|
173 22G-3 0.00677 0.00000 -0.00182 0.00000 0.00000
|
|
174 22G+4 0.00000 -0.05087 0.00000 0.07988 -0.04010
|
|
175 22G-4 0.00000 -0.11259 0.00000 0.11073 -0.02600
|
|
176 23H 0 -0.00974 0.00000 -0.02360 0.00000 0.00000
|
|
177 23H+1 0.00000 0.06695 0.00000 0.03218 0.01422
|
|
178 23H-1 0.00000 0.00059 0.00000 -0.00062 0.04398
|
|
179 23H+2 -0.00161 0.00000 -0.00249 0.00000 0.00000
|
|
180 23H-2 0.03264 0.00000 0.02104 0.00000 0.00000
|
|
181 23H+3 0.00000 -0.07601 0.00000 -0.02992 -0.00135
|
|
182 23H-3 0.00000 0.02688 0.00000 0.01060 0.00581
|
|
183 23H+4 -0.00070 0.00000 0.04075 0.00000 0.00000
|
|
184 23H-4 0.03620 0.00000 -0.03989 0.00000 0.00000
|
|
185 23H+5 0.00000 -0.04440 0.00000 0.15667 -0.00342
|
|
186 23H-5 0.00000 -0.04242 0.00000 0.00850 -0.05865
|
|
187 3 H 1S 0.00000 0.95939 0.00000 1.12112 -0.09261
|
|
188 2S 0.00000 -1.97558 0.00000 -2.36384 0.24278
|
|
189 3S 0.00000 1.53386 0.00000 2.53636 -0.53528
|
|
190 4S 0.00000 4.10833 0.00000 3.36917 -0.39791
|
|
191 5S 0.00000 0.26441 0.00000 0.17451 0.01459
|
|
192 6PX 0.00000 0.22638 0.00000 0.26894 -0.03223
|
|
193 6PY 0.00000 -0.07695 0.00000 0.03605 -0.03133
|
|
194 6PZ -0.01673 0.00000 -0.00515 0.00000 0.00000
|
|
195 7PX 0.00000 0.11862 0.00000 0.10896 -0.02714
|
|
196 7PY 0.00000 -0.05018 0.00000 0.00346 -0.00200
|
|
197 7PZ -0.00618 0.00000 -0.00289 0.00000 0.00000
|
|
198 8PX 0.00000 -0.34706 0.00000 -0.31772 0.22785
|
|
199 8PY 0.00000 0.20354 0.00000 -0.12749 0.08769
|
|
200 8PZ 0.02691 0.00000 0.02122 0.00000 0.00000
|
|
201 9PX 0.00000 -2.79497 0.00000 -2.41889 0.38842
|
|
202 9PY 0.00000 1.11251 0.00000 -0.28559 0.32564
|
|
203 9PZ 0.14259 0.00000 0.04454 0.00000 0.00000
|
|
204 10D 0 0.00000 -0.78359 0.00000 0.39133 -0.16773
|
|
205 10D+1 -0.03557 0.00000 -0.00858 0.00000 0.00000
|
|
206 10D-1 0.17089 0.00000 -0.10770 0.00000 0.00000
|
|
207 10D+2 0.00000 -0.03585 0.00000 0.68356 -0.17835
|
|
208 10D-2 0.00000 -0.35164 0.00000 0.00500 -0.06288
|
|
209 11D 0 0.00000 0.90505 0.00000 -0.30935 0.17568
|
|
210 11D+1 0.04862 0.00000 0.01646 0.00000 0.00000
|
|
211 11D-1 -0.18578 0.00000 0.10470 0.00000 0.00000
|
|
212 11D+2 0.00000 -0.12153 0.00000 -0.91138 0.20202
|
|
213 11D-2 0.00000 0.45956 0.00000 0.01222 0.07064
|
|
214 12D 0 0.00000 -1.00662 0.00000 -0.22589 -0.00418
|
|
215 12D+1 -0.12616 0.00000 -0.02543 0.00000 0.00000
|
|
216 12D-1 0.17833 0.00000 0.02210 0.00000 0.00000
|
|
217 12D+2 0.00000 0.83272 0.00000 1.28121 -0.36327
|
|
218 12D-2 0.00000 -1.09578 0.00000 0.33423 -0.23558
|
|
219 13F 0 0.05874 0.00000 -0.00987 0.00000 0.00000
|
|
220 13F+1 0.00000 -0.25413 0.00000 -0.16440 0.02660
|
|
221 13F-1 0.00000 0.17237 0.00000 -0.09723 0.04726
|
|
222 13F+2 0.00642 0.00000 -0.02215 0.00000 0.00000
|
|
223 13F-2 0.08776 0.00000 0.04097 0.00000 0.00000
|
|
224 13F+3 0.00000 0.12874 0.00000 0.32115 -0.10354
|
|
225 13F-3 0.00000 -0.35218 0.00000 0.00871 0.00555
|
|
226 14F 0 -0.07838 0.00000 0.00599 0.00000 0.00000
|
|
227 14F+1 0.00000 0.29950 0.00000 0.25760 -0.05716
|
|
228 14F-1 0.00000 -0.20780 0.00000 0.11771 -0.04720
|
|
229 14F+2 0.01671 0.00000 -0.00137 0.00000 0.00000
|
|
230 14F-2 -0.09153 0.00000 -0.06774 0.00000 0.00000
|
|
231 14F+3 0.00000 -0.21734 0.00000 -0.39686 0.14785
|
|
232 14F-3 0.00000 0.55232 0.00000 -0.14848 0.05096
|
|
233 15G 0 0.00000 0.07156 0.00000 0.10010 -0.01636
|
|
234 15G+1 0.06454 0.00000 -0.00217 0.00000 0.00000
|
|
235 15G-1 -0.02057 0.00000 -0.01132 0.00000 0.00000
|
|
236 15G+2 0.00000 -0.08233 0.00000 -0.17128 0.04103
|
|
237 15G-2 0.00000 0.15166 0.00000 -0.06831 0.00115
|
|
238 15G+3 -0.01792 0.00000 0.05244 0.00000 0.00000
|
|
239 15G-3 0.02354 0.00000 0.03950 0.00000 0.00000
|
|
240 15G+4 0.00000 0.11066 0.00000 0.17633 -0.07450
|
|
241 15G-4 0.00000 -0.40844 0.00000 0.18000 -0.05761
|
|
242 4 H 1S 0.00000 0.16598 0.00000 -0.13428 -0.23267
|
|
243 2S 0.00000 -0.41914 0.00000 0.53609 1.02979
|
|
244 3S 0.00000 0.58388 0.00000 -1.32418 -0.79541
|
|
245 4S 0.00000 0.99382 0.00000 -1.40249 -0.85462
|
|
246 5S 0.00000 -0.23646 0.00000 -0.04413 -0.09007
|
|
247 6PX 0.00000 -0.01888 0.00000 0.00279 -0.02957
|
|
248 6PY 0.00000 0.02493 0.00000 -0.01553 0.03415
|
|
249 6PZ -0.00139 0.00000 -0.05787 0.00000 0.00000
|
|
250 7PX 0.00000 -0.03407 0.00000 0.07904 0.29065
|
|
251 7PY 0.00000 0.00873 0.00000 -0.01441 -0.08192
|
|
252 7PZ 0.00718 0.00000 0.06752 0.00000 0.00000
|
|
253 8PX 0.00000 0.27512 0.00000 -0.57210 -0.28003
|
|
254 8PY 0.00000 0.25588 0.00000 0.13654 0.53048
|
|
255 8PZ -0.54653 0.00000 0.32589 0.00000 0.00000
|
|
256 9PX 0.00000 0.45234 0.00000 -0.52552 -0.55856
|
|
257 9PY 0.00000 0.30084 0.00000 -0.29351 -0.06499
|
|
258 9PZ -0.55743 0.00000 -0.17994 0.00000 0.00000
|
|
259 10D 0 0.00000 0.12776 0.00000 -0.26862 0.33401
|
|
260 10D+1 -0.28834 0.00000 -0.62325 0.00000 0.00000
|
|
261 10D-1 -0.64236 0.00000 -0.01300 0.00000 0.00000
|
|
262 10D+2 0.00000 0.07445 0.00000 -0.14990 0.01851
|
|
263 10D-2 0.00000 -0.05643 0.00000 -0.06810 -0.30015
|
|
264 11D 0 0.00000 -0.17294 0.00000 0.36160 -0.30638
|
|
265 11D+1 0.14117 0.00000 0.72478 0.00000 0.00000
|
|
266 11D-1 0.69758 0.00000 -0.00300 0.00000 0.00000
|
|
267 11D+2 0.00000 0.00273 0.00000 0.07826 0.03592
|
|
268 11D-2 0.00000 0.14653 0.00000 0.09109 0.54194
|
|
269 12D 0 0.00000 0.05157 0.00000 -0.24330 -0.08760
|
|
270 12D+1 -0.43801 0.00000 0.09194 0.00000 0.00000
|
|
271 12D-1 -0.18091 0.00000 0.24464 0.00000 0.00000
|
|
272 12D+2 0.00000 0.29737 0.00000 -0.43838 -0.32623
|
|
273 12D-2 0.00000 0.17761 0.00000 -0.19483 -0.01317
|
|
274 13F 0 0.07257 0.00000 0.10682 0.00000 0.00000
|
|
275 13F+1 0.00000 -0.08777 0.00000 0.14554 0.27574
|
|
276 13F-1 0.00000 0.05241 0.00000 -0.15121 -0.20523
|
|
277 13F+2 -0.05120 0.00000 -0.38236 0.00000 0.00000
|
|
278 13F-2 -0.07791 0.00000 -0.09023 0.00000 0.00000
|
|
279 13F+3 0.00000 -0.04721 0.00000 0.11902 0.18678
|
|
280 13F-3 0.00000 -0.02569 0.00000 0.04710 0.13072
|
|
281 14F 0 -0.04445 0.00000 -0.11867 0.00000 0.00000
|
|
282 14F+1 0.00000 0.04149 0.00000 -0.11776 -0.30478
|
|
283 14F-1 0.00000 -0.07657 0.00000 0.19221 0.22658
|
|
284 14F+2 -0.07800 0.00000 0.50428 0.00000 0.00000
|
|
285 14F-2 0.13087 0.00000 0.18341 0.00000 0.00000
|
|
286 14F+3 0.00000 0.14858 0.00000 -0.22752 -0.20501
|
|
287 14F-3 0.00000 0.07925 0.00000 -0.07976 0.02040
|
|
288 15G 0 0.00000 -0.06335 0.00000 0.10432 0.13047
|
|
289 15G+1 -0.04191 0.00000 0.06384 0.00000 0.00000
|
|
290 15G-1 0.17952 0.00000 -0.11481 0.00000 0.00000
|
|
291 15G+2 0.00000 0.06116 0.00000 -0.05101 -0.01798
|
|
292 15G-2 0.00000 -0.08471 0.00000 0.18869 0.19724
|
|
293 15G+3 -0.32284 0.00000 0.22327 0.00000 0.00000
|
|
294 15G-3 0.01859 0.00000 0.15036 0.00000 0.00000
|
|
295 15G+4 0.00000 0.03607 0.00000 -0.09008 -0.10478
|
|
296 15G-4 0.00000 -0.03473 0.00000 -0.02931 -0.16663
|
|
297 5 H 1S -0.11787 0.04026 -0.04590 -0.05690 0.09009
|
|
298 2S 0.36532 -0.08247 0.16014 0.10807 -0.40642
|
|
299 3S -0.66263 -0.33151 -0.01753 0.44391 0.08706
|
|
300 4S -0.94090 -0.62108 -0.16014 -0.43914 0.55538
|
|
301 5S 0.03177 0.13754 -0.02027 -0.02972 0.04801
|
|
302 6PX -0.00018 0.00317 -0.05681 -0.00518 -0.02043
|
|
303 6PY -0.00844 0.01220 -0.01064 -0.00630 -0.00577
|
|
304 6PZ -0.00593 0.00438 0.03767 0.00237 -0.00013
|
|
305 7PX -0.01543 0.01907 0.03448 -0.02814 0.01012
|
|
306 7PY -0.02216 0.00972 -0.00819 0.00691 0.04274
|
|
307 7PZ -0.02129 0.01870 -0.05964 -0.01494 0.12849
|
|
308 8PX 0.39914 -0.13225 0.30824 -0.05487 -0.69302
|
|
309 8PY -0.34129 -0.11016 -0.05343 0.12895 -0.29800
|
|
310 8PZ 0.21839 0.21794 -0.09532 -0.16053 0.35284
|
|
311 9PX 0.44227 -0.12424 0.05964 0.25112 0.21211
|
|
312 9PY -0.37643 -0.20043 -0.04226 0.18845 -0.08903
|
|
313 9PZ 0.22620 0.36197 0.11506 0.10315 -0.43882
|
|
314 10D 0 0.22761 -0.06817 -0.44974 0.07878 0.19406
|
|
315 10D+1 0.22409 0.18616 0.33063 -0.22466 0.01920
|
|
316 10D-1 -0.35212 0.07539 -0.03656 0.03118 0.08734
|
|
317 10D+2 -0.41181 0.05901 0.14589 -0.05968 -0.19465
|
|
318 10D-2 0.19025 -0.20393 0.08175 0.13749 -0.51649
|
|
319 11D 0 -0.27782 0.01008 0.46396 -0.06063 -0.43565
|
|
320 11D+1 -0.38475 -0.20013 -0.38336 0.28805 0.11633
|
|
321 11D-1 0.44554 -0.07661 0.06473 -0.07990 -0.08589
|
|
322 11D+2 0.36523 -0.03957 -0.19385 0.08947 0.26323
|
|
323 11D-2 -0.17715 0.23388 -0.08597 -0.16256 0.73041
|
|
324 12D 0 -0.02647 -0.22440 0.12123 0.16785 0.14735
|
|
325 12D+1 -0.03468 0.17186 -0.14567 -0.18707 0.00729
|
|
326 12D-1 0.08191 0.05960 -0.15160 -0.10156 0.19018
|
|
327 12D+2 -0.52276 -0.01743 -0.15593 0.05130 0.05184
|
|
328 12D-2 0.13602 0.00964 0.21636 0.03072 -0.20224
|
|
329 13F 0 -0.13333 -0.00367 0.43007 0.05262 0.18551
|
|
330 13F+1 0.14400 0.02328 -0.04794 -0.04459 -0.08311
|
|
331 13F-1 0.00494 -0.05151 -0.02349 0.07965 0.12206
|
|
332 13F+2 -0.06731 -0.04179 -0.10863 0.04512 0.04933
|
|
333 13F-2 0.04506 0.01490 -0.00309 0.00314 -0.16502
|
|
334 13F+3 -0.10347 -0.05898 -0.16283 -0.01833 0.05570
|
|
335 13F-3 -0.08534 0.01148 -0.00284 -0.00994 -0.02713
|
|
336 14F 0 0.14413 0.05790 -0.50695 -0.09779 -0.14610
|
|
337 14F+1 -0.03333 -0.01580 0.09089 0.03590 0.11201
|
|
338 14F-1 -0.05655 0.06777 0.09023 -0.05508 -0.16223
|
|
339 14F+2 0.14487 0.04395 0.16817 -0.08124 -0.11687
|
|
340 14F-2 -0.07189 -0.04813 -0.04020 0.02422 0.11119
|
|
341 14F+3 0.14977 0.03419 0.24190 0.03245 0.01610
|
|
342 14F-3 0.12564 -0.02917 -0.03165 0.00686 -0.01096
|
|
343 15G 0 0.02786 -0.10349 0.18750 0.11039 0.12327
|
|
344 15G+1 0.15079 0.04918 0.06555 -0.02835 -0.02354
|
|
345 15G-1 -0.07377 -0.03968 -0.11969 0.07415 0.31234
|
|
346 15G+2 0.10100 -0.01702 0.01295 -0.04270 0.06407
|
|
347 15G-2 0.12127 0.04840 0.01288 -0.01763 -0.16464
|
|
348 15G+3 -0.15375 0.05598 -0.13881 -0.07892 0.04292
|
|
349 15G-3 -0.05194 -0.03476 0.10067 0.02713 -0.16939
|
|
350 15G+4 -0.03581 0.05171 -0.09841 -0.06245 -0.01781
|
|
351 15G-4 -0.21477 0.04800 0.00563 -0.08127 -0.17761
|
|
352 6 H 1S 0.11787 0.04026 0.04590 -0.05690 0.09009
|
|
353 2S -0.36532 -0.08247 -0.16014 0.10807 -0.40642
|
|
354 3S 0.66263 -0.33151 0.01753 0.44391 0.08706
|
|
355 4S 0.94090 -0.62108 0.16014 -0.43914 0.55538
|
|
356 5S -0.03177 0.13754 0.02027 -0.02972 0.04801
|
|
357 6PX 0.00018 0.00317 0.05681 -0.00518 -0.02043
|
|
358 6PY 0.00844 0.01220 0.01064 -0.00630 -0.00577
|
|
359 6PZ -0.00593 -0.00438 0.03767 -0.00237 0.00013
|
|
360 7PX 0.01543 0.01907 -0.03448 -0.02814 0.01012
|
|
361 7PY 0.02216 0.00972 0.00819 0.00691 0.04274
|
|
362 7PZ -0.02129 -0.01870 -0.05964 0.01494 -0.12849
|
|
363 8PX -0.39914 -0.13225 -0.30824 -0.05487 -0.69302
|
|
364 8PY 0.34129 -0.11016 0.05343 0.12895 -0.29800
|
|
365 8PZ 0.21839 -0.21794 -0.09532 0.16053 -0.35284
|
|
366 9PX -0.44227 -0.12424 -0.05964 0.25112 0.21211
|
|
367 9PY 0.37643 -0.20043 0.04226 0.18845 -0.08903
|
|
368 9PZ 0.22620 -0.36197 0.11506 -0.10315 0.43882
|
|
369 10D 0 -0.22761 -0.06817 0.44974 0.07878 0.19406
|
|
370 10D+1 0.22409 -0.18616 0.33063 0.22466 -0.01920
|
|
371 10D-1 -0.35212 -0.07539 -0.03656 -0.03118 -0.08734
|
|
372 10D+2 0.41181 0.05901 -0.14589 -0.05968 -0.19465
|
|
373 10D-2 -0.19025 -0.20393 -0.08175 0.13749 -0.51649
|
|
374 11D 0 0.27782 0.01008 -0.46396 -0.06063 -0.43565
|
|
375 11D+1 -0.38475 0.20013 -0.38336 -0.28805 -0.11633
|
|
376 11D-1 0.44554 0.07661 0.06473 0.07990 0.08589
|
|
377 11D+2 -0.36523 -0.03957 0.19385 0.08947 0.26323
|
|
378 11D-2 0.17715 0.23388 0.08597 -0.16256 0.73041
|
|
379 12D 0 0.02647 -0.22440 -0.12123 0.16785 0.14735
|
|
380 12D+1 -0.03468 -0.17186 -0.14567 0.18707 -0.00729
|
|
381 12D-1 0.08191 -0.05960 -0.15160 0.10156 -0.19018
|
|
382 12D+2 0.52276 -0.01743 0.15593 0.05130 0.05184
|
|
383 12D-2 -0.13602 0.00964 -0.21636 0.03072 -0.20224
|
|
384 13F 0 -0.13333 0.00367 0.43007 -0.05262 -0.18551
|
|
385 13F+1 -0.14400 0.02328 0.04794 -0.04459 -0.08311
|
|
386 13F-1 -0.00494 -0.05151 0.02349 0.07965 0.12206
|
|
387 13F+2 -0.06731 0.04179 -0.10863 -0.04512 -0.04933
|
|
388 13F-2 0.04506 -0.01490 -0.00309 -0.00314 0.16502
|
|
389 13F+3 0.10347 -0.05898 0.16283 -0.01833 0.05570
|
|
390 13F-3 0.08534 0.01148 0.00284 -0.00994 -0.02713
|
|
391 14F 0 0.14413 -0.05790 -0.50695 0.09779 0.14610
|
|
392 14F+1 0.03333 -0.01580 -0.09089 0.03590 0.11201
|
|
393 14F-1 0.05655 0.06777 -0.09023 -0.05508 -0.16223
|
|
394 14F+2 0.14487 -0.04395 0.16817 0.08124 0.11687
|
|
395 14F-2 -0.07189 0.04813 -0.04020 -0.02422 -0.11119
|
|
396 14F+3 -0.14977 0.03419 -0.24190 0.03245 0.01610
|
|
397 14F-3 -0.12564 -0.02917 0.03165 0.00686 -0.01096
|
|
398 15G 0 -0.02786 -0.10349 -0.18750 0.11039 0.12327
|
|
399 15G+1 0.15079 -0.04918 0.06555 0.02835 0.02354
|
|
400 15G-1 -0.07377 0.03968 -0.11969 -0.07415 -0.31234
|
|
401 15G+2 -0.10100 -0.01702 -0.01295 -0.04270 0.06407
|
|
402 15G-2 -0.12127 0.04840 -0.01288 -0.01763 -0.16464
|
|
403 15G+3 -0.15375 -0.05598 -0.13881 0.07892 -0.04292
|
|
404 15G-3 -0.05194 0.03476 0.10067 -0.02713 0.16939
|
|
405 15G+4 0.03581 0.05171 0.09841 -0.06245 -0.01781
|
|
406 15G-4 0.21477 0.04800 -0.00563 -0.08127 -0.17761
|
|
351 352 353 354 355
|
|
V V V V V
|
|
Eigenvalues -- 14.30981 14.33061 14.34939 14.40657 14.41680
|
|
1 1 C 1S 0.00000 0.00174 0.00000 -0.00221 0.00000
|
|
2 2S 0.00000 0.00100 0.00000 0.00277 0.00000
|
|
3 3S 0.00000 0.02340 0.00000 0.02662 0.00000
|
|
4 4S 0.00000 -0.31888 0.00000 -0.10023 0.00000
|
|
5 5S 0.00000 0.44796 0.00000 0.19075 0.00000
|
|
6 6S 0.00000 -0.14342 0.00000 0.07526 0.00000
|
|
7 7PX 0.00000 -0.19563 0.00000 0.48301 0.00000
|
|
8 7PY 0.00000 -0.02358 0.00000 -0.01109 0.00000
|
|
9 7PZ -0.33306 0.00000 0.28115 0.00000 0.45475
|
|
10 8PX 0.00000 0.81258 0.00000 -2.05205 0.00000
|
|
11 8PY 0.00000 0.07124 0.00000 0.05163 0.00000
|
|
12 8PZ 1.12494 0.00000 -1.12406 0.00000 -1.85177
|
|
13 9PX 0.00000 0.58276 0.00000 3.71440 0.00000
|
|
14 9PY 0.00000 0.18604 0.00000 -0.10466 0.00000
|
|
15 9PZ -0.61067 0.00000 0.29785 0.00000 4.08188
|
|
16 10PX 0.00000 1.28911 0.00000 -0.51223 0.00000
|
|
17 10PY 0.00000 0.22487 0.00000 -0.27557 0.00000
|
|
18 10PZ 1.46666 0.00000 -0.82292 0.00000 -0.12364
|
|
19 11PX 0.00000 0.11928 0.00000 -0.30305 0.00000
|
|
20 11PY 0.00000 0.01925 0.00000 0.00257 0.00000
|
|
21 11PZ 0.13184 0.00000 -0.20813 0.00000 -0.27476
|
|
22 12D 0 0.00000 -0.06060 0.00000 0.29374 0.00000
|
|
23 12D+1 -0.21703 0.00000 0.11324 0.00000 0.34867
|
|
24 12D-1 -0.15299 0.00000 0.16810 0.00000 0.22668
|
|
25 12D+2 0.00000 0.04004 0.00000 -0.21497 0.00000
|
|
26 12D-2 0.00000 -0.11201 0.00000 0.26320 0.00000
|
|
27 13D 0 0.00000 -0.04766 0.00000 -0.74981 0.00000
|
|
28 13D+1 0.07617 0.00000 -0.17044 0.00000 -0.89359
|
|
29 13D-1 0.56864 0.00000 -0.32916 0.00000 -0.33492
|
|
30 13D+2 0.00000 -0.01299 0.00000 0.45073 0.00000
|
|
31 13D-2 0.00000 0.37240 0.00000 -0.36000 0.00000
|
|
32 14D 0 0.00000 0.40708 0.00000 1.65628 0.00000
|
|
33 14D+1 0.32350 0.00000 0.35982 0.00000 1.95795
|
|
34 14D-1 -0.94158 0.00000 0.05321 0.00000 1.13734
|
|
35 14D+2 0.00000 -0.28925 0.00000 -1.02209 0.00000
|
|
36 14D-2 0.00000 -0.17859 0.00000 0.77670 0.00000
|
|
37 15D 0 0.00000 -0.51578 0.00000 0.04182 0.00000
|
|
38 15D+1 -0.38192 0.00000 0.61337 0.00000 -0.22750
|
|
39 15D-1 0.60911 0.00000 -0.72106 0.00000 0.61843
|
|
40 15D+2 0.00000 0.15014 0.00000 -0.08542 0.00000
|
|
41 15D-2 0.00000 0.84758 0.00000 0.20950 0.00000
|
|
42 16F 0 -0.06058 0.00000 -0.11205 0.00000 -0.23915
|
|
43 16F+1 0.00000 -0.01766 0.00000 -0.13529 0.00000
|
|
44 16F-1 0.00000 -0.00235 0.00000 -0.02303 0.00000
|
|
45 16F+2 -0.05022 0.00000 -0.05286 0.00000 -0.32979
|
|
46 16F-2 0.04986 0.00000 -0.04426 0.00000 -0.14803
|
|
47 16F+3 0.00000 -0.04290 0.00000 -0.44504 0.00000
|
|
48 16F-3 0.00000 -0.03083 0.00000 -0.02824 0.00000
|
|
49 17F 0 0.16419 0.00000 0.37727 0.00000 0.45458
|
|
50 17F+1 0.00000 0.01325 0.00000 0.29867 0.00000
|
|
51 17F-1 0.00000 -0.03507 0.00000 -0.17027 0.00000
|
|
52 17F+2 0.11634 0.00000 0.27604 0.00000 0.67961
|
|
53 17F-2 -0.09481 0.00000 0.06428 0.00000 -0.01232
|
|
54 17F+3 0.00000 -0.09475 0.00000 0.92391 0.00000
|
|
55 17F-3 0.00000 0.05041 0.00000 0.23042 0.00000
|
|
56 18F 0 0.12431 0.00000 0.18249 0.00000 0.53075
|
|
57 18F+1 0.00000 0.01296 0.00000 0.32844 0.00000
|
|
58 18F-1 0.00000 0.02991 0.00000 0.29692 0.00000
|
|
59 18F+2 0.06703 0.00000 0.31217 0.00000 0.71363
|
|
60 18F-2 0.05836 0.00000 0.28912 0.00000 0.57529
|
|
61 18F+3 0.00000 -0.24225 0.00000 1.06517 0.00000
|
|
62 18F-3 0.00000 0.05667 0.00000 -0.14492 0.00000
|
|
63 19G 0 0.00000 0.00293 0.00000 0.07619 0.00000
|
|
64 19G+1 0.09686 0.00000 0.14720 0.00000 -0.01025
|
|
65 19G-1 0.00014 0.00000 -0.14084 0.00000 -0.01567
|
|
66 19G+2 0.00000 -0.08470 0.00000 0.07522 0.00000
|
|
67 19G-2 0.00000 0.02602 0.00000 0.00219 0.00000
|
|
68 19G+3 -0.16263 0.00000 0.05591 0.00000 0.15245
|
|
69 19G-3 -0.03681 0.00000 -0.09163 0.00000 0.02260
|
|
70 19G+4 0.00000 0.01633 0.00000 -0.07772 0.00000
|
|
71 19G-4 0.00000 0.12861 0.00000 -0.07752 0.00000
|
|
72 20G 0 0.00000 0.24095 0.00000 -0.24109 0.00000
|
|
73 20G+1 -0.77433 0.00000 0.05914 0.00000 1.08628
|
|
74 20G-1 -0.10654 0.00000 0.61298 0.00000 0.24910
|
|
75 20G+2 0.00000 0.08695 0.00000 0.97592 0.00000
|
|
76 20G-2 0.00000 -0.15438 0.00000 0.18290 0.00000
|
|
77 20G+3 0.71053 0.00000 -0.00887 0.00000 0.21205
|
|
78 20G-3 0.06641 0.00000 0.36970 0.00000 0.22538
|
|
79 20G+4 0.00000 0.00606 0.00000 -0.59550 0.00000
|
|
80 20G-4 0.00000 -0.52828 0.00000 0.22954 0.00000
|
|
81 21H 0 -0.02865 0.00000 0.06713 0.00000 0.06074
|
|
82 21H+1 0.00000 0.01410 0.00000 0.08585 0.00000
|
|
83 21H-1 0.00000 0.20656 0.00000 -0.06092 0.00000
|
|
84 21H+2 0.21359 0.00000 0.14213 0.00000 0.11648
|
|
85 21H-2 -0.23354 0.00000 0.09541 0.00000 0.35229
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|
344 15G+1 -0.00872 -0.29523 -0.08122 -0.17941 -0.14080
|
|
345 15G-1 0.19792 0.05954 -0.02481 0.10132 -0.13043
|
|
346 15G+2 -0.11071 0.23819 0.16264 -0.06335 -0.23887
|
|
347 15G-2 0.14288 0.00370 0.05016 0.02142 0.01834
|
|
348 15G+3 -0.18001 -0.00706 -0.04055 -0.06908 -0.18103
|
|
349 15G-3 -0.10582 0.06269 -0.02759 -0.11064 -0.03130
|
|
350 15G+4 0.03312 -0.06108 -0.03176 0.04100 0.04064
|
|
351 15G-4 -0.14264 -0.09089 -0.14089 -0.10459 0.02539
|
|
352 6 H 1S 0.24321 -0.03967 -0.20000 0.24293 -0.46317
|
|
353 2S -1.04579 0.25425 0.82802 -0.87482 1.63811
|
|
354 3S 0.72725 -0.63970 -0.24529 -0.84877 1.61377
|
|
355 4S 1.28149 -0.66892 -1.21742 0.94220 -1.00300
|
|
356 5S 0.02638 -0.01097 -0.10291 0.04983 -0.11432
|
|
357 6PX -0.00426 0.04657 0.01050 -0.13096 0.02652
|
|
358 6PY -0.01089 -0.01022 -0.06479 0.05519 -0.06924
|
|
359 6PZ 0.03651 0.00681 -0.06352 0.01939 -0.13278
|
|
360 7PX 0.15761 -0.01952 -0.12196 0.09438 -0.21440
|
|
361 7PY 0.09665 -0.00717 -0.06045 0.07481 -0.14744
|
|
362 7PZ -0.22398 0.07684 0.18899 -0.21431 0.37039
|
|
363 8PX 0.22003 0.40819 0.06539 -0.44784 -0.13182
|
|
364 8PY -0.47493 0.20367 -0.13275 0.75046 -1.05214
|
|
365 8PZ 0.39420 -0.09672 -0.38447 -0.18587 0.11008
|
|
366 9PX -0.68820 -0.38363 0.75552 -0.17912 0.10013
|
|
367 9PY 0.07052 -0.22307 -0.09086 -0.27330 0.50062
|
|
368 9PZ 0.45235 -0.77973 -0.58322 0.46361 -0.52222
|
|
369 10D 0 0.00914 -0.33536 -0.20419 -0.01663 -0.14779
|
|
370 10D+1 -0.34309 -0.12905 0.04630 -0.17548 0.19422
|
|
371 10D-1 0.36968 -0.04988 0.02219 0.00068 0.24973
|
|
372 10D+2 0.01309 -0.22828 -0.64180 -0.06636 0.29870
|
|
373 10D-2 0.05178 0.08934 -0.02377 0.27196 0.07398
|
|
374 11D 0 0.08193 0.49225 -0.00181 -0.02065 -0.12871
|
|
375 11D+1 0.43611 0.26053 -0.02437 -0.10066 -0.08512
|
|
376 11D-1 -0.58739 0.06129 -0.10131 0.23210 -0.50316
|
|
377 11D+2 -0.12522 0.12863 0.59437 0.35029 -0.48439
|
|
378 11D-2 -0.05351 -0.19778 0.09102 -0.32079 0.06210
|
|
379 12D 0 0.13398 -0.52378 -0.18448 0.07154 -0.23871
|
|
380 12D+1 -0.25783 -0.04305 0.47303 -0.24399 0.17343
|
|
381 12D-1 0.06860 -0.04861 0.07237 -0.03297 0.24314
|
|
382 12D+2 0.29934 0.12131 -0.15805 -0.06108 0.21126
|
|
383 12D-2 0.16318 0.04985 -0.03787 0.28707 0.03494
|
|
384 13F 0 0.00303 0.23609 -0.28768 0.02678 -0.16790
|
|
385 13F+1 -0.08072 -0.09467 -0.05552 -0.19879 0.32902
|
|
386 13F-1 -0.15117 -0.00841 0.06504 0.03548 0.00119
|
|
387 13F+2 -0.20092 -0.28754 -0.18186 0.30036 -0.22381
|
|
388 13F-2 0.08767 -0.10700 0.01036 -0.04809 -0.01044
|
|
389 13F+3 0.09683 0.09277 0.22243 -0.10288 0.08400
|
|
390 13F-3 0.16885 0.09872 0.11379 -0.04035 0.04925
|
|
391 14F 0 0.01354 -0.26918 0.17419 -0.08089 -0.02026
|
|
392 14F+1 0.05927 0.16904 0.21911 0.05030 -0.15604
|
|
393 14F-1 0.03936 -0.04417 -0.05122 -0.04695 0.03760
|
|
394 14F+2 0.19337 0.30977 0.07261 -0.09740 0.16646
|
|
395 14F-2 -0.04043 0.05229 -0.02821 0.09103 -0.04258
|
|
396 14F+3 -0.12991 -0.04792 -0.24041 0.06416 -0.03841
|
|
397 14F-3 -0.23992 -0.04892 -0.15970 0.02320 -0.01291
|
|
398 15G 0 -0.00744 -0.24897 0.06901 -0.11494 -0.09105
|
|
399 15G+1 -0.00872 0.29523 -0.08122 0.17941 -0.14080
|
|
400 15G-1 0.19792 -0.05954 -0.02481 -0.10132 -0.13043
|
|
401 15G+2 0.11071 0.23819 -0.16264 -0.06335 0.23887
|
|
402 15G-2 -0.14288 0.00370 -0.05016 0.02142 -0.01834
|
|
403 15G+3 -0.18001 0.00706 -0.04055 0.06908 -0.18103
|
|
404 15G-3 -0.10582 -0.06269 -0.02759 0.11064 -0.03130
|
|
405 15G+4 -0.03312 -0.06108 0.03176 0.04100 -0.04064
|
|
406 15G-4 0.14264 -0.09089 0.14089 -0.10459 -0.02539
|
|
356 357 358 359 360
|
|
V V V V V
|
|
Eigenvalues -- 14.46011 14.50446 14.57443 14.58469 14.72598
|
|
1 1 C 1S 0.00126 0.06820 0.00000 0.00469 0.00000
|
|
2 2S -0.05250 -0.04570 0.00000 0.01261 0.00000
|
|
3 3S -0.18373 0.01332 0.00000 0.10538 0.00000
|
|
4 4S -1.07661 -5.64481 0.00000 -1.01147 0.00000
|
|
5 5S 5.32608 6.37101 0.00000 0.94538 0.00000
|
|
6 6S -0.49159 -1.67223 0.00000 -0.62921 0.00000
|
|
7 7PX -0.04518 -0.03542 0.00000 0.30898 0.00000
|
|
8 7PY -0.38217 0.16388 0.00000 0.03933 0.00000
|
|
9 7PZ 0.00000 0.00000 0.23957 0.00000 0.15079
|
|
10 8PX 0.21805 0.19229 0.00000 -0.95784 0.00000
|
|
11 8PY 1.54685 -1.25163 0.00000 -0.21742 0.00000
|
|
12 8PZ 0.00000 0.00000 -0.71966 0.00000 -0.55657
|
|
13 9PX -0.39337 -0.68419 0.00000 3.16703 0.00000
|
|
14 9PY -2.37239 3.23250 0.00000 0.72838 0.00000
|
|
15 9PZ 0.00000 0.00000 2.80909 0.00000 -0.48431
|
|
16 10PX 0.21517 0.17903 0.00000 -0.31936 0.00000
|
|
17 10PY 1.59054 -2.12693 0.00000 -0.33831 0.00000
|
|
18 10PZ 0.00000 0.00000 0.09577 0.00000 -2.02874
|
|
19 11PX -0.01743 0.03559 0.00000 -0.17434 0.00000
|
|
20 11PY 0.28636 -0.30552 0.00000 0.00094 0.00000
|
|
21 11PZ 0.00000 0.00000 -0.08499 0.00000 -0.09976
|
|
22 12D 0 -0.12513 -0.06928 0.00000 0.26460 0.00000
|
|
23 12D+1 0.00000 0.00000 0.27092 0.00000 0.01726
|
|
24 12D-1 0.00000 0.00000 -0.08685 0.00000 0.04227
|
|
25 12D+2 -0.07032 -0.05433 0.00000 -0.16333 0.00000
|
|
26 12D-2 -0.02986 0.01435 0.00000 -0.04534 0.00000
|
|
27 13D 0 0.02613 0.00043 0.00000 -0.49581 0.00000
|
|
28 13D+1 0.00000 0.00000 -0.44887 0.00000 0.12873
|
|
29 13D-1 0.00000 0.00000 -0.20831 0.00000 0.03931
|
|
30 13D+2 -0.20166 -0.09735 0.00000 0.29179 0.00000
|
|
31 13D-2 0.07675 0.01873 0.00000 -0.22851 0.00000
|
|
32 14D 0 0.51765 0.45359 0.00000 1.39241 0.00000
|
|
33 14D+1 0.00000 0.00000 1.28712 0.00000 -2.08413
|
|
34 14D-1 0.00000 0.00000 1.86443 0.00000 -1.75843
|
|
35 14D+2 1.07895 1.14056 0.00000 -0.74913 0.00000
|
|
36 14D-2 -0.31280 -0.32936 0.00000 1.58028 0.00000
|
|
37 15D 0 0.44547 -0.38308 0.00000 -0.41106 0.00000
|
|
38 15D+1 0.00000 0.00000 -0.33003 0.00000 -0.67977
|
|
39 15D-1 0.00000 0.00000 0.55072 0.00000 0.44662
|
|
40 15D+2 0.33015 -0.85195 0.00000 -0.05836 0.00000
|
|
41 15D-2 0.03630 -0.37761 0.00000 0.70314 0.00000
|
|
42 16F 0 0.00000 0.00000 0.03476 0.00000 -0.13258
|
|
43 16F+1 -0.13044 -0.47625 0.00000 -0.06643 0.00000
|
|
44 16F-1 0.13783 -0.18562 0.00000 -0.22456 0.00000
|
|
45 16F+2 0.00000 0.00000 0.06252 0.00000 -0.46993
|
|
46 16F-2 0.00000 0.00000 -0.28447 0.00000 0.46131
|
|
47 16F+3 0.08625 0.16716 0.00000 -0.05893 0.00000
|
|
48 16F-3 0.19991 -0.26256 0.00000 0.11078 0.00000
|
|
49 17F 0 0.00000 0.00000 -0.15812 0.00000 0.24604
|
|
50 17F+1 0.31651 0.80401 0.00000 0.04207 0.00000
|
|
51 17F-1 -0.15025 0.50989 0.00000 0.43109 0.00000
|
|
52 17F+2 0.00000 0.00000 -0.24538 0.00000 1.13073
|
|
53 17F-2 0.00000 0.00000 0.54543 0.00000 -1.05456
|
|
54 17F+3 -0.18120 -0.28890 0.00000 0.01615 0.00000
|
|
55 17F-3 -0.33558 0.73319 0.00000 -0.15527 0.00000
|
|
56 18F 0 0.00000 0.00000 -0.05524 0.00000 0.19957
|
|
57 18F+1 0.70480 1.25606 0.00000 0.24991 0.00000
|
|
58 18F-1 -0.04425 0.96024 0.00000 1.09854 0.00000
|
|
59 18F+2 0.00000 0.00000 -0.09860 0.00000 1.00849
|
|
60 18F-2 0.00000 0.00000 1.06802 0.00000 -0.77849
|
|
61 18F+3 -0.18298 -0.56019 0.00000 0.29362 0.00000
|
|
62 18F-3 -0.12815 1.09414 0.00000 -0.45246 0.00000
|
|
63 19G 0 -0.07082 -0.09566 0.00000 0.03382 0.00000
|
|
64 19G+1 0.00000 0.00000 -0.20151 0.00000 -0.18919
|
|
65 19G-1 0.00000 0.00000 -0.07994 0.00000 0.03613
|
|
66 19G+2 -0.04236 -0.08728 0.00000 -0.20892 0.00000
|
|
67 19G-2 0.05640 -0.13876 0.00000 -0.06844 0.00000
|
|
68 19G+3 0.00000 0.00000 -0.06375 0.00000 -0.13927
|
|
69 19G-3 0.00000 0.00000 -0.05529 0.00000 0.00604
|
|
70 19G+4 -0.01899 -0.18530 0.00000 0.11219 0.00000
|
|
71 19G-4 -0.02920 -0.00157 0.00000 -0.04362 0.00000
|
|
72 20G 0 0.56509 0.04665 0.00000 -0.30143 0.00000
|
|
73 20G+1 0.00000 0.00000 0.04367 0.00000 1.00278
|
|
74 20G-1 0.00000 0.00000 0.46981 0.00000 -0.05490
|
|
75 20G+2 0.45816 -0.05193 0.00000 0.17368 0.00000
|
|
76 20G-2 -0.55952 0.78122 0.00000 0.35624 0.00000
|
|
77 20G+3 0.00000 0.00000 -0.38829 0.00000 0.20990
|
|
78 20G-3 0.00000 0.00000 0.31698 0.00000 0.21605
|
|
79 20G+4 0.63427 0.08092 0.00000 -0.11051 0.00000
|
|
80 20G-4 0.37856 -0.35535 0.00000 0.54518 0.00000
|
|
81 21H 0 0.00000 0.00000 -0.33621 0.00000 0.04869
|
|
82 21H+1 0.19078 -0.10870 0.00000 0.13360 0.00000
|
|
83 21H-1 0.06412 0.06650 0.00000 -0.22230 0.00000
|
|
84 21H+2 0.00000 0.00000 -0.18942 0.00000 0.00572
|
|
85 21H-2 0.00000 0.00000 0.18825 0.00000 0.06124
|
|
86 21H+3 0.33699 -0.17147 0.00000 -0.30088 0.00000
|
|
87 21H-3 0.01580 -0.04550 0.00000 0.20468 0.00000
|
|
88 21H+4 0.00000 0.00000 -0.20434 0.00000 0.04433
|
|
89 21H-4 0.00000 0.00000 -0.31799 0.00000 -0.10849
|
|
90 21H+5 -0.15985 0.15616 0.00000 -0.30546 0.00000
|
|
91 21H-5 -0.01490 0.07061 0.00000 -0.08467 0.00000
|
|
92 2 S 1S 0.00158 0.00185 0.00000 0.00045 0.00000
|
|
93 2S 0.00647 0.00286 0.00000 -0.00653 0.00000
|
|
94 3S 0.01466 0.03189 0.00000 0.02133 0.00000
|
|
95 4S -0.02638 0.09307 0.00000 0.06004 0.00000
|
|
96 5S 0.25417 0.16244 0.00000 0.08921 0.00000
|
|
97 6S 0.52233 -1.33705 0.00000 -0.45701 0.00000
|
|
98 7S 0.37098 -0.45012 0.00000 -0.16427 0.00000
|
|
99 8PX -0.00469 -0.00392 0.00000 0.00376 0.00000
|
|
100 8PY 0.01460 0.00900 0.00000 0.00129 0.00000
|
|
101 8PZ 0.00000 0.00000 -0.00033 0.00000 0.00750
|
|
102 9PX 0.00573 -0.00069 0.00000 0.00666 0.00000
|
|
103 9PY 0.01398 0.01273 0.00000 0.00272 0.00000
|
|
104 9PZ 0.00000 0.00000 0.00245 0.00000 0.00510
|
|
105 10PX 0.07522 0.01880 0.00000 0.03795 0.00000
|
|
106 10PY 0.05732 0.08433 0.00000 0.02537 0.00000
|
|
107 10PZ 0.00000 0.00000 0.04248 0.00000 -0.00967
|
|
108 11PX -0.04088 -0.00217 0.00000 -0.08828 0.00000
|
|
109 11PY 0.03457 -0.41759 0.00000 -0.11490 0.00000
|
|
110 11PZ 0.00000 0.00000 -0.15047 0.00000 -0.00723
|
|
111 12PX 0.57211 0.54425 0.00000 0.32255 0.00000
|
|
112 12PY -0.84443 -1.87970 0.00000 -0.41086 0.00000
|
|
113 12PZ 0.00000 0.00000 0.20712 0.00000 0.49607
|
|
114 13PX 0.02871 0.05146 0.00000 -0.01094 0.00000
|
|
115 13PY -0.03993 -0.11006 0.00000 -0.00607 0.00000
|
|
116 13PZ 0.00000 0.00000 0.03784 0.00000 0.03160
|
|
117 14D 0 0.08819 0.06042 0.00000 0.19727 0.00000
|
|
118 14D+1 0.00000 0.00000 0.12775 0.00000 -0.10429
|
|
119 14D-1 0.00000 0.00000 0.17721 0.00000 0.33384
|
|
120 14D+2 0.84568 0.76326 0.00000 -0.03615 0.00000
|
|
121 14D-2 -0.41475 -0.46195 0.00000 0.10874 0.00000
|
|
122 15D 0 0.14821 0.12558 0.00000 0.15072 0.00000
|
|
123 15D+1 0.00000 0.00000 -0.01664 0.00000 -0.04871
|
|
124 15D-1 0.00000 0.00000 -0.03422 0.00000 0.20863
|
|
125 15D+2 0.06241 0.24881 0.00000 -0.07974 0.00000
|
|
126 15D-2 -0.13867 -0.01383 0.00000 0.08624 0.00000
|
|
127 16D 0 -0.06939 0.00709 0.00000 -0.08333 0.00000
|
|
128 16D+1 0.00000 0.00000 -0.03225 0.00000 -0.01742
|
|
129 16D-1 0.00000 0.00000 -0.02805 0.00000 -0.06376
|
|
130 16D+2 -0.00951 0.01905 0.00000 0.07301 0.00000
|
|
131 16D-2 -0.04316 0.01708 0.00000 -0.09872 0.00000
|
|
132 17D 0 0.01542 -0.01201 0.00000 0.03073 0.00000
|
|
133 17D+1 0.00000 0.00000 0.01964 0.00000 0.01748
|
|
134 17D-1 0.00000 0.00000 0.01946 0.00000 0.01449
|
|
135 17D+2 0.01538 -0.01798 0.00000 -0.02956 0.00000
|
|
136 17D-2 0.03832 -0.00532 0.00000 0.04556 0.00000
|
|
137 18F 0 0.00000 0.00000 -0.03432 0.00000 -0.03400
|
|
138 18F+1 -0.08205 -0.12417 0.00000 -0.02395 0.00000
|
|
139 18F-1 0.15510 0.04665 0.00000 0.15065 0.00000
|
|
140 18F+2 0.00000 0.00000 -0.05390 0.00000 -0.10077
|
|
141 18F-2 0.00000 0.00000 0.14958 0.00000 -0.13720
|
|
142 18F+3 0.37943 0.26431 0.00000 -0.07831 0.00000
|
|
143 18F-3 0.15180 -0.11579 0.00000 -0.17198 0.00000
|
|
144 19F 0 0.00000 0.00000 0.04301 0.00000 -0.01051
|
|
145 19F+1 -0.00480 0.03305 0.00000 0.02810 0.00000
|
|
146 19F-1 0.16994 -0.01659 0.00000 0.09011 0.00000
|
|
147 19F+2 0.00000 0.00000 -0.04407 0.00000 -0.11782
|
|
148 19F-2 0.00000 0.00000 0.05641 0.00000 0.08492
|
|
149 19F+3 -0.07671 0.00759 0.00000 -0.08753 0.00000
|
|
150 19F-3 0.01195 -0.00313 0.00000 -0.12383 0.00000
|
|
151 20F 0 0.00000 0.00000 0.00896 0.00000 0.01006
|
|
152 20F+1 0.02564 -0.00885 0.00000 0.00077 0.00000
|
|
153 20F-1 0.00136 0.03606 0.00000 -0.03074 0.00000
|
|
154 20F+2 0.00000 0.00000 0.02278 0.00000 -0.02079
|
|
155 20F-2 0.00000 0.00000 -0.03423 0.00000 -0.00675
|
|
156 20F+3 -0.02231 -0.00502 0.00000 0.03235 0.00000
|
|
157 20F-3 -0.03534 0.04276 0.00000 0.04530 0.00000
|
|
158 21G 0 -0.04936 0.04972 0.00000 -0.08111 0.00000
|
|
159 21G+1 0.00000 0.00000 -0.03357 0.00000 0.02023
|
|
160 21G-1 0.00000 0.00000 0.01473 0.00000 0.03033
|
|
161 21G+2 -0.08287 0.03813 0.00000 -0.06582 0.00000
|
|
162 21G-2 -0.08163 -0.02349 0.00000 0.01660 0.00000
|
|
163 21G+3 0.00000 0.00000 -0.13927 0.00000 0.03808
|
|
164 21G-3 0.00000 0.00000 -0.01523 0.00000 -0.02372
|
|
165 21G+4 -0.00179 0.11508 0.00000 0.14337 0.00000
|
|
166 21G-4 0.17616 0.03420 0.00000 -0.05441 0.00000
|
|
167 22G 0 -0.03356 -0.02150 0.00000 0.00068 0.00000
|
|
168 22G+1 0.00000 0.00000 0.02447 0.00000 0.02318
|
|
169 22G-1 0.00000 0.00000 0.00443 0.00000 -0.04861
|
|
170 22G+2 0.00336 -0.00816 0.00000 0.02222 0.00000
|
|
171 22G-2 0.05440 0.02053 0.00000 -0.00842 0.00000
|
|
172 22G+3 0.00000 0.00000 0.02288 0.00000 -0.07972
|
|
173 22G-3 0.00000 0.00000 0.00203 0.00000 0.00177
|
|
174 22G+4 -0.12257 -0.05769 0.00000 -0.02796 0.00000
|
|
175 22G-4 -0.08667 -0.00039 0.00000 -0.00106 0.00000
|
|
176 23H 0 0.00000 0.00000 -0.00805 0.00000 -0.00953
|
|
177 23H+1 0.02358 -0.00315 0.00000 -0.01199 0.00000
|
|
178 23H-1 -0.03307 0.00711 0.00000 -0.02782 0.00000
|
|
179 23H+2 0.00000 0.00000 0.00315 0.00000 0.02932
|
|
180 23H-2 0.00000 0.00000 -0.00675 0.00000 -0.03601
|
|
181 23H+3 0.06055 0.00375 0.00000 -0.00322 0.00000
|
|
182 23H-3 -0.02451 0.01040 0.00000 -0.01310 0.00000
|
|
183 23H+4 0.00000 0.00000 -0.01220 0.00000 0.00502
|
|
184 23H-4 0.00000 0.00000 -0.04053 0.00000 0.00059
|
|
185 23H+5 -0.12233 -0.02881 0.00000 0.02495 0.00000
|
|
186 23H-5 0.01197 0.00474 0.00000 0.02032 0.00000
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187 3 H 1S -0.22245 -0.11708 0.00000 0.03593 0.00000
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188 2S 0.48905 0.23509 0.00000 -0.11251 0.00000
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189 3S -0.78078 -0.46807 0.00000 0.15430 0.00000
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190 4S -0.61156 -1.00583 0.00000 0.06085 0.00000
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191 5S 0.01143 -0.00604 0.00000 0.06755 0.00000
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192 6PX -0.07255 -0.02192 0.00000 0.00187 0.00000
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193 6PY -0.05372 -0.00151 0.00000 -0.03096 0.00000
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194 6PZ 0.00000 0.00000 -0.01911 0.00000 -0.02851
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195 7PX -0.01895 0.00383 0.00000 0.00770 0.00000
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196 7PY 0.00837 -0.01169 0.00000 0.00227 0.00000
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197 7PZ 0.00000 0.00000 0.00327 0.00000 -0.00641
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198 8PX 0.04947 0.02009 0.00000 -0.06995 0.00000
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199 8PY 0.00741 0.05158 0.00000 0.06556 0.00000
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200 8PZ 0.00000 0.00000 0.04713 0.00000 0.09731
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201 9PX 0.40995 0.52399 0.00000 0.01410 0.00000
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202 9PY 0.27023 0.02153 0.00000 0.23049 0.00000
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203 9PZ 0.00000 0.00000 0.05482 0.00000 0.04719
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204 10D 0 -0.24755 0.03478 0.00000 0.04042 0.00000
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205 10D+1 0.00000 0.00000 -0.00629 0.00000 0.12777
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206 10D-1 0.00000 0.00000 0.05866 0.00000 0.03182
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207 10D+2 -0.14813 0.01527 0.00000 -0.01821 0.00000
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208 10D-2 0.04545 0.01794 0.00000 -0.04056 0.00000
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209 11D 0 0.24855 -0.05272 0.00000 -0.05366 0.00000
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210 11D+1 0.00000 0.00000 0.00898 0.00000 -0.15032
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211 11D-1 0.00000 0.00000 -0.06951 0.00000 -0.04207
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212 11D+2 0.24732 -0.00046 0.00000 0.04623 0.00000
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213 11D-2 -0.03153 -0.03355 0.00000 0.05980 0.00000
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214 12D 0 -0.13342 0.05331 0.00000 -0.01272 0.00000
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215 12D+1 0.00000 0.00000 -0.08234 0.00000 -0.02642
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216 12D-1 0.00000 0.00000 0.08064 0.00000 0.06178
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217 12D+2 -0.31814 -0.06504 0.00000 -0.08823 0.00000
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218 12D-2 -0.21070 0.02203 0.00000 -0.13855 0.00000
|
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219 13F 0 0.00000 0.00000 0.04086 0.00000 0.00511
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220 13F+1 0.01308 0.01568 0.00000 0.00564 0.00000
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221 13F-1 0.05757 -0.02434 0.00000 0.00556 0.00000
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222 13F+2 0.00000 0.00000 0.01939 0.00000 0.00675
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223 13F-2 0.00000 0.00000 0.04099 0.00000 0.01530
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|
224 13F+3 -0.15399 0.00764 0.00000 -0.06262 0.00000
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225 13F-3 -0.00929 0.02711 0.00000 -0.01666 0.00000
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226 14F 0 0.00000 0.00000 -0.04704 0.00000 -0.04606
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227 14F+1 -0.02681 -0.01250 0.00000 0.00664 0.00000
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|
228 14F-1 -0.07966 0.02084 0.00000 -0.01239 0.00000
|
|
229 14F+2 0.00000 0.00000 -0.00221 0.00000 0.04157
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|
230 14F-2 0.00000 0.00000 -0.06051 0.00000 -0.01795
|
|
231 14F+3 0.14648 -0.00296 0.00000 0.08542 0.00000
|
|
232 14F-3 0.12082 -0.01669 0.00000 0.01800 0.00000
|
|
233 15G 0 -0.01883 -0.00345 0.00000 0.00149 0.00000
|
|
234 15G+1 0.00000 0.00000 0.00920 0.00000 0.06493
|
|
235 15G-1 0.00000 0.00000 -0.02735 0.00000 0.00188
|
|
236 15G+2 0.03832 0.00409 0.00000 0.00874 0.00000
|
|
237 15G-2 0.06592 -0.00616 0.00000 0.00957 0.00000
|
|
238 15G+3 0.00000 0.00000 0.00171 0.00000 -0.04548
|
|
239 15G-3 0.00000 0.00000 0.03158 0.00000 0.00208
|
|
240 15G+4 -0.02268 0.00930 0.00000 -0.05616 0.00000
|
|
241 15G-4 -0.16100 -0.01776 0.00000 0.02421 0.00000
|
|
242 4 H 1S -0.04740 0.53929 0.00000 -0.42105 0.00000
|
|
243 2S 0.24563 -1.54026 0.00000 1.47350 0.00000
|
|
244 3S -1.79924 -3.17624 0.00000 1.17775 0.00000
|
|
245 4S 0.10262 2.29911 0.00000 -0.06741 0.00000
|
|
246 5S -0.04808 0.16156 0.00000 -0.01355 0.00000
|
|
247 6PX 0.02531 -0.02644 0.00000 -0.04857 0.00000
|
|
248 6PY 0.04536 -0.11188 0.00000 0.16404 0.00000
|
|
249 6PZ 0.00000 0.00000 -0.01426 0.00000 -0.04456
|
|
250 7PX 0.02705 -0.35241 0.00000 0.35081 0.00000
|
|
251 7PY 0.01984 0.11413 0.00000 -0.12839 0.00000
|
|
252 7PZ 0.00000 0.00000 -0.04962 0.00000 0.05382
|
|
253 8PX -0.19480 -1.08152 0.00000 0.66889 0.00000
|
|
254 8PY 1.28139 -0.16522 0.00000 0.26421 0.00000
|
|
255 8PZ 0.00000 0.00000 0.09884 0.00000 -1.75104
|
|
256 9PX -0.11099 1.25345 0.00000 0.09657 0.00000
|
|
257 9PY -0.41673 -0.62891 0.00000 0.21847 0.00000
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|
258 9PZ 0.00000 0.00000 -0.23484 0.00000 -0.10489
|
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259 10D 0 -0.11370 -0.11717 0.00000 0.02787 0.00000
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260 10D+1 0.00000 0.00000 -0.13430 0.00000 0.50145
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261 10D-1 0.00000 0.00000 0.07949 0.00000 -0.21856
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262 10D+2 -0.28534 0.39507 0.00000 0.06026 0.00000
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263 10D-2 -0.37504 -0.59766 0.00000 0.44663 0.00000
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264 11D 0 0.14402 0.20543 0.00000 -0.03645 0.00000
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265 11D+1 0.00000 0.00000 0.10530 0.00000 -1.09823
|
|
266 11D-1 0.00000 0.00000 -0.13280 0.00000 0.32575
|
|
267 11D+2 0.52707 -0.67416 0.00000 0.05606 0.00000
|
|
268 11D-2 0.85994 0.42553 0.00000 -0.11169 0.00000
|
|
269 12D 0 -0.03729 -0.49256 0.00000 0.01266 0.00000
|
|
270 12D+1 0.00000 0.00000 -0.13694 0.00000 -0.03403
|
|
271 12D-1 0.00000 0.00000 0.22781 0.00000 0.16269
|
|
272 12D+2 -0.04456 0.60325 0.00000 0.20197 0.00000
|
|
273 12D-2 -0.28023 -0.71266 0.00000 -0.11019 0.00000
|
|
274 13F 0 0.00000 0.00000 -0.09588 0.00000 0.19716
|
|
275 13F+1 -0.01926 0.07159 0.00000 0.08440 0.00000
|
|
276 13F-1 -0.15269 0.10534 0.00000 -0.07358 0.00000
|
|
277 13F+2 0.00000 0.00000 -0.03406 0.00000 -0.25035
|
|
278 13F-2 0.00000 0.00000 -0.13179 0.00000 -0.08021
|
|
279 13F+3 0.22596 -0.09496 0.00000 0.12246 0.00000
|
|
280 13F-3 0.28998 -0.20322 0.00000 0.59180 0.00000
|
|
281 14F 0 0.00000 0.00000 0.02427 0.00000 -0.08833
|
|
282 14F+1 -0.01607 -0.24871 0.00000 -0.10327 0.00000
|
|
283 14F-1 0.11492 0.03254 0.00000 0.08700 0.00000
|
|
284 14F+2 0.00000 0.00000 -0.11215 0.00000 0.13974
|
|
285 14F-2 0.00000 0.00000 0.10330 0.00000 0.19225
|
|
286 14F+3 -0.10407 0.07042 0.00000 -0.03110 0.00000
|
|
287 14F-3 -0.23296 -0.06284 0.00000 -0.44144 0.00000
|
|
288 15G 0 -0.00094 0.15835 0.00000 0.13062 0.00000
|
|
289 15G+1 0.00000 0.00000 -0.18801 0.00000 -0.32525
|
|
290 15G-1 0.00000 0.00000 0.04012 0.00000 -0.00285
|
|
291 15G+2 -0.01509 -0.14348 0.00000 -0.05314 0.00000
|
|
292 15G-2 0.18206 0.17176 0.00000 0.21545 0.00000
|
|
293 15G+3 0.00000 0.00000 -0.36224 0.00000 0.21062
|
|
294 15G-3 0.00000 0.00000 0.08328 0.00000 -0.02412
|
|
295 15G+4 -0.35312 0.03332 0.00000 -0.00075 0.00000
|
|
296 15G-4 -0.17730 -0.04557 0.00000 -0.16085 0.00000
|
|
297 5 H 1S -0.16836 0.46101 0.34492 0.28697 -0.13164
|
|
298 2S 0.71705 -1.32527 -1.15917 -0.97551 -0.06631
|
|
299 3S -1.74828 -2.65043 -1.58122 -1.42899 2.30787
|
|
300 4S -0.40305 2.28737 0.24216 0.94158 1.09381
|
|
301 5S -0.01517 0.14370 -0.01515 0.02121 -0.02804
|
|
302 6PX 0.01458 0.02292 0.00866 -0.02023 -0.02628
|
|
303 6PY 0.04514 -0.05722 -0.17800 -0.10489 -0.01160
|
|
304 6PZ -0.00864 0.02593 -0.01956 -0.01148 -0.01638
|
|
305 7PX -0.06239 0.14090 0.15145 0.06842 0.05107
|
|
306 7PY -0.02107 0.11618 0.14094 0.10935 -0.01576
|
|
307 7PZ -0.13175 0.25581 0.22760 0.22934 0.07747
|
|
308 8PX 0.13330 0.36055 0.35205 0.24558 -0.53661
|
|
309 8PY 1.27532 0.05193 -0.41836 -0.06540 0.94596
|
|
310 8PZ -0.04011 0.65646 0.81412 0.47784 -1.49669
|
|
311 9PX 0.21883 -0.50093 0.12612 -0.26592 -0.04043
|
|
312 9PY -0.32776 -0.56229 -0.23126 -0.40619 -0.53280
|
|
313 9PZ 0.25329 -1.15766 -0.04622 -0.16467 -0.17116
|
|
314 10D 0 -0.21992 0.26819 0.02620 -0.05421 -0.49688
|
|
315 10D+1 -0.16111 0.15294 -0.06977 0.02283 -0.16940
|
|
316 10D-1 0.23357 0.47088 0.38555 0.28016 0.29984
|
|
317 10D+2 -0.22189 0.08036 -0.08820 -0.03119 -0.45215
|
|
318 10D-2 0.14202 0.26536 0.14423 0.23797 0.26960
|
|
319 11D 0 0.45734 -0.40862 -0.20510 -0.07322 0.84333
|
|
320 11D+1 0.22574 -0.29656 -0.07067 -0.05221 0.29802
|
|
321 11D-1 -0.60769 -0.44610 -0.09293 -0.12047 -0.48676
|
|
322 11D+2 0.39727 -0.16076 -0.08348 0.00044 0.70999
|
|
323 11D-2 -0.37602 -0.25975 0.04569 -0.20143 -0.40360
|
|
324 12D 0 -0.08008 0.49684 -0.02018 -0.08884 -0.05601
|
|
325 12D+1 -0.10237 0.52105 -0.07791 0.15070 0.11892
|
|
326 12D-1 0.14725 0.63453 0.05687 0.00914 0.02455
|
|
327 12D+2 -0.14160 -0.02074 -0.12634 -0.10109 -0.37666
|
|
328 12D-2 0.06393 0.36924 -0.11138 0.26682 0.05438
|
|
329 13F 0 -0.16383 0.02726 0.18681 0.05107 -0.12206
|
|
330 13F+1 -0.07480 0.09446 0.08751 0.02280 0.09206
|
|
331 13F-1 0.13895 -0.05615 -0.31422 -0.32497 0.00958
|
|
332 13F+2 -0.17267 0.03753 0.19152 0.14228 -0.09950
|
|
333 13F-2 0.24135 -0.09284 -0.33502 -0.10288 -0.03716
|
|
334 13F+3 -0.09326 -0.00929 0.19837 -0.01055 -0.15491
|
|
335 13F-3 -0.03911 0.03208 -0.16208 -0.03008 -0.01267
|
|
336 14F 0 0.08451 -0.02377 -0.13722 0.08045 0.07397
|
|
337 14F+1 0.02783 -0.22412 -0.00331 -0.06423 -0.13897
|
|
338 14F-1 -0.08391 -0.08864 0.21252 0.24192 0.00859
|
|
339 14F+2 0.13809 0.01981 -0.09451 -0.05244 0.05593
|
|
340 14F-2 -0.16905 -0.09446 0.24675 0.04687 0.11775
|
|
341 14F+3 0.06769 0.09267 -0.05126 -0.05058 0.14600
|
|
342 14F-3 0.05472 -0.00847 0.13094 0.00326 -0.01527
|
|
343 15G 0 -0.13843 -0.04250 0.13392 -0.12541 -0.24139
|
|
344 15G+1 -0.10528 0.13570 -0.03681 0.08791 -0.09833
|
|
345 15G-1 -0.03092 0.02814 0.01399 -0.12378 -0.00689
|
|
346 15G+2 -0.23288 0.04987 0.14795 -0.16398 -0.10879
|
|
347 15G-2 0.17202 0.19811 -0.19920 -0.08284 -0.02502
|
|
348 15G+3 -0.19352 -0.11617 0.01381 0.16524 -0.17911
|
|
349 15G-3 0.00457 -0.02385 -0.04841 -0.00694 -0.03331
|
|
350 15G+4 -0.11109 -0.01518 -0.12760 0.13844 -0.12675
|
|
351 15G-4 -0.07584 -0.10234 -0.05652 0.10924 -0.01463
|
|
352 6 H 1S -0.16836 0.46101 -0.34492 0.28697 0.13164
|
|
353 2S 0.71705 -1.32527 1.15917 -0.97551 0.06631
|
|
354 3S -1.74828 -2.65043 1.58122 -1.42899 -2.30787
|
|
355 4S -0.40305 2.28737 -0.24216 0.94158 -1.09381
|
|
356 5S -0.01517 0.14370 0.01515 0.02121 0.02804
|
|
357 6PX 0.01458 0.02292 -0.00866 -0.02023 0.02628
|
|
358 6PY 0.04514 -0.05722 0.17800 -0.10489 0.01160
|
|
359 6PZ 0.00864 -0.02593 -0.01956 0.01148 -0.01638
|
|
360 7PX -0.06239 0.14090 -0.15145 0.06842 -0.05107
|
|
361 7PY -0.02107 0.11618 -0.14094 0.10935 0.01576
|
|
362 7PZ 0.13175 -0.25581 0.22760 -0.22934 0.07747
|
|
363 8PX 0.13330 0.36055 -0.35205 0.24558 0.53661
|
|
364 8PY 1.27532 0.05193 0.41836 -0.06540 -0.94596
|
|
365 8PZ 0.04011 -0.65646 0.81412 -0.47784 -1.49669
|
|
366 9PX 0.21883 -0.50093 -0.12612 -0.26592 0.04043
|
|
367 9PY -0.32776 -0.56229 0.23126 -0.40619 0.53280
|
|
368 9PZ -0.25329 1.15766 -0.04622 0.16467 -0.17116
|
|
369 10D 0 -0.21992 0.26819 -0.02620 -0.05421 0.49688
|
|
370 10D+1 0.16111 -0.15294 -0.06977 -0.02283 -0.16940
|
|
371 10D-1 -0.23357 -0.47088 0.38555 -0.28016 0.29984
|
|
372 10D+2 -0.22189 0.08036 0.08820 -0.03119 0.45215
|
|
373 10D-2 0.14202 0.26536 -0.14423 0.23797 -0.26960
|
|
374 11D 0 0.45734 -0.40862 0.20510 -0.07322 -0.84333
|
|
375 11D+1 -0.22574 0.29656 -0.07067 0.05221 0.29802
|
|
376 11D-1 0.60769 0.44610 -0.09293 0.12047 -0.48676
|
|
377 11D+2 0.39727 -0.16076 0.08348 0.00044 -0.70999
|
|
378 11D-2 -0.37602 -0.25975 -0.04569 -0.20143 0.40360
|
|
379 12D 0 -0.08008 0.49684 0.02018 -0.08884 0.05601
|
|
380 12D+1 0.10237 -0.52105 -0.07791 -0.15070 0.11892
|
|
381 12D-1 -0.14725 -0.63453 0.05687 -0.00914 0.02455
|
|
382 12D+2 -0.14160 -0.02074 0.12634 -0.10109 0.37666
|
|
383 12D-2 0.06393 0.36924 0.11138 0.26682 -0.05438
|
|
384 13F 0 0.16383 -0.02726 0.18681 -0.05107 -0.12206
|
|
385 13F+1 -0.07480 0.09446 -0.08751 0.02280 -0.09206
|
|
386 13F-1 0.13895 -0.05615 0.31422 -0.32497 -0.00958
|
|
387 13F+2 0.17267 -0.03753 0.19152 -0.14228 -0.09950
|
|
388 13F-2 -0.24135 0.09284 -0.33502 0.10288 -0.03716
|
|
389 13F+3 -0.09326 -0.00929 -0.19837 -0.01055 0.15491
|
|
390 13F-3 -0.03911 0.03208 0.16208 -0.03008 0.01267
|
|
391 14F 0 -0.08451 0.02377 -0.13722 -0.08045 0.07397
|
|
392 14F+1 0.02783 -0.22412 0.00331 -0.06423 0.13897
|
|
393 14F-1 -0.08391 -0.08864 -0.21252 0.24192 -0.00859
|
|
394 14F+2 -0.13809 -0.01981 -0.09451 0.05244 0.05593
|
|
395 14F-2 0.16905 0.09446 0.24675 -0.04687 0.11775
|
|
396 14F+3 0.06769 0.09267 0.05126 -0.05058 -0.14600
|
|
397 14F-3 0.05472 -0.00847 -0.13094 0.00326 0.01527
|
|
398 15G 0 -0.13843 -0.04250 -0.13392 -0.12541 0.24139
|
|
399 15G+1 0.10528 -0.13570 -0.03681 -0.08791 -0.09833
|
|
400 15G-1 0.03092 -0.02814 0.01399 0.12378 -0.00689
|
|
401 15G+2 -0.23288 0.04987 -0.14795 -0.16398 0.10879
|
|
402 15G-2 0.17202 0.19811 0.19920 -0.08284 0.02502
|
|
403 15G+3 0.19352 0.11617 0.01381 -0.16524 -0.17911
|
|
404 15G-3 -0.00457 0.02385 -0.04841 0.00694 -0.03331
|
|
405 15G+4 -0.11109 -0.01518 0.12760 0.13844 0.12675
|
|
406 15G-4 -0.07584 -0.10234 0.05652 0.10924 0.01463
|
|
361 362 363 364 365
|
|
V V V V V
|
|
Eigenvalues -- 14.76121 14.85267 14.87820 14.87986 14.91157
|
|
1 1 C 1S 0.00266 0.00000 0.01931 0.00000 -0.00458
|
|
2 2S 0.01274 0.00000 0.01005 0.00000 -0.06322
|
|
3 3S 0.00656 0.00000 -0.12117 0.00000 -0.06297
|
|
4 4S 0.50614 0.00000 -0.34161 0.00000 -1.17621
|
|
5 5S -2.18141 0.00000 0.48941 0.00000 4.06686
|
|
6 6S 0.03836 0.00000 -0.30186 0.00000 0.04529
|
|
7 7PX -0.08218 0.00000 0.03314 0.00000 0.01917
|
|
8 7PY 0.01710 0.00000 0.00756 0.00000 -0.01867
|
|
9 7PZ 0.00000 0.01777 0.00000 0.05539 0.00000
|
|
10 8PX 0.08466 0.00000 -0.71354 0.00000 -0.74639
|
|
11 8PY 0.00039 0.00000 -0.05120 0.00000 -0.20490
|
|
12 8PZ 0.00000 -0.99060 0.00000 -0.36103 0.00000
|
|
13 9PX 2.20271 0.00000 2.40069 0.00000 3.41195
|
|
14 9PY 0.07083 0.00000 1.54925 0.00000 -0.22116
|
|
15 9PZ 0.00000 4.19962 0.00000 1.02146 0.00000
|
|
16 10PX 2.11732 0.00000 1.60872 0.00000 2.05276
|
|
17 10PY -0.60465 0.00000 -1.71040 0.00000 2.22763
|
|
18 10PZ 0.00000 2.52156 0.00000 0.34416 0.00000
|
|
19 11PX 0.11912 0.00000 -0.14293 0.00000 -0.09140
|
|
20 11PY -0.05739 0.00000 -0.03048 0.00000 0.05097
|
|
21 11PZ 0.00000 -0.13199 0.00000 -0.04437 0.00000
|
|
22 12D 0 0.02499 0.00000 -0.08606 0.00000 -0.02513
|
|
23 12D+1 0.00000 -0.03211 0.00000 0.02188 0.00000
|
|
24 12D-1 0.00000 -0.31966 0.00000 -0.05933 0.00000
|
|
25 12D+2 -0.01510 0.00000 -0.02155 0.00000 0.10541
|
|
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286 14F+3 -0.18686 0.00000 -0.36172 0.00000 -0.01747
|
|
287 14F-3 0.07791 0.00000 -0.09346 0.00000 0.20182
|
|
288 15G 0 0.05407 0.00000 -0.16856 0.00000 -0.03165
|
|
289 15G+1 0.00000 -0.09040 0.00000 0.15765 0.00000
|
|
290 15G-1 0.00000 0.12637 0.00000 -0.05828 0.00000
|
|
291 15G+2 -0.02458 0.00000 0.15878 0.00000 -0.09134
|
|
292 15G-2 -0.03309 0.00000 -0.10345 0.00000 -0.07707
|
|
293 15G+3 0.00000 -0.07708 0.00000 -0.26245 0.00000
|
|
294 15G-3 0.00000 -0.31796 0.00000 -0.03098 0.00000
|
|
295 15G+4 -0.42236 0.00000 -0.14325 0.00000 -0.08509
|
|
296 15G-4 -0.02288 0.00000 0.15832 0.00000 0.18605
|
|
297 5 H 1S 0.16934 -0.17222 0.25486 -0.01587 -0.39805
|
|
298 2S -0.23537 0.86163 -0.63001 0.02111 1.41424
|
|
299 3S -1.42718 -3.42038 -1.57227 -0.44635 -2.69787
|
|
300 4S -0.33616 -1.33426 0.54574 -0.14501 -1.69351
|
|
301 5S -0.01127 0.14471 0.08299 0.03531 0.07772
|
|
302 6PX -0.00612 0.05400 -0.08503 0.12091 -0.07739
|
|
303 6PY -0.00300 -0.05940 0.07381 -0.00640 -0.13735
|
|
304 6PZ 0.00908 -0.03199 0.06595 -0.08031 0.04427
|
|
305 7PX -0.03120 -0.08683 0.05119 -0.11690 -0.11085
|
|
306 7PY 0.02115 -0.08029 -0.00304 -0.02010 -0.07614
|
|
307 7PZ 0.00171 -0.18843 0.05118 0.07989 -0.22813
|
|
308 8PX 1.41585 0.75492 -0.31274 2.20441 0.04748
|
|
309 8PY -0.39831 0.56531 0.52155 0.48313 0.31705
|
|
310 8PZ 0.42538 1.39420 0.95702 -1.14688 1.05227
|
|
311 9PX -0.08396 0.26452 -0.16947 0.14343 0.32347
|
|
312 9PY 0.31915 0.20651 -0.11154 -0.04525 0.12170
|
|
313 9PZ 0.00762 0.40242 -0.30821 0.00359 0.70707
|
|
314 10D 0 0.03364 0.17345 0.12019 -0.52985 -0.29203
|
|
315 10D+1 0.37564 -0.03240 0.27228 0.32251 -0.10173
|
|
316 10D-1 -0.30961 0.34938 -0.03928 0.15256 0.13305
|
|
317 10D+2 0.39279 -0.16625 -0.05326 0.14863 -0.14510
|
|
318 10D-2 0.25830 -0.09115 0.18938 0.06232 0.36798
|
|
319 11D 0 0.00845 -0.24141 -0.42319 1.22558 -0.05211
|
|
320 11D+1 -0.62880 -0.19337 -0.09961 -0.79391 0.13413
|
|
321 11D-1 0.46012 -0.36552 -0.21594 -0.17324 -0.09750
|
|
322 11D+2 -0.67483 0.04735 0.26232 -0.47409 0.20696
|
|
323 11D-2 -0.30211 -0.00536 -0.17027 -0.25411 -0.23296
|
|
324 12D 0 0.07090 0.14087 -0.00770 -0.04997 -0.13878
|
|
325 12D+1 -0.09094 -0.06954 -0.04250 0.01586 0.22989
|
|
326 12D-1 -0.02198 -0.05553 0.36951 0.22792 0.09468
|
|
327 12D+2 0.26658 0.00123 0.27157 0.01231 -0.10510
|
|
328 12D-2 -0.00079 0.28399 -0.03342 -0.36106 -0.28357
|
|
329 13F 0 -0.05077 0.01969 0.12238 -0.40021 0.30536
|
|
330 13F+1 -0.09945 0.17619 -0.20761 0.07872 0.37478
|
|
331 13F-1 0.05554 -0.07226 0.30998 -0.01442 0.18272
|
|
332 13F+2 0.14502 0.20116 -0.24220 0.18021 0.05953
|
|
333 13F-2 -0.03370 0.18239 -0.09701 0.03087 -0.17802
|
|
334 13F+3 0.09571 -0.03794 0.00333 0.13627 0.08311
|
|
335 13F-3 -0.04140 0.20807 -0.04512 0.05870 -0.13677
|
|
336 14F 0 0.05090 -0.15387 0.02037 0.15350 -0.07661
|
|
337 14F+1 0.12454 -0.17649 0.24084 -0.06032 -0.48520
|
|
338 14F-1 -0.14514 0.04136 -0.37367 -0.08683 -0.31504
|
|
339 14F+2 -0.10589 -0.14659 0.07991 -0.04842 -0.09828
|
|
340 14F-2 0.02372 -0.30835 0.08942 0.05727 0.13449
|
|
341 14F+3 -0.13791 0.09136 -0.14409 -0.11448 -0.12025
|
|
342 14F-3 0.09419 -0.25241 0.01309 0.01846 0.16450
|
|
343 15G 0 -0.10669 0.12743 -0.00707 -0.28639 -0.11158
|
|
344 15G+1 -0.08225 0.10810 -0.05385 -0.10459 0.18371
|
|
345 15G-1 0.00448 0.07038 0.22511 -0.10658 0.24038
|
|
346 15G+2 0.20802 0.10578 -0.11873 0.10112 0.03937
|
|
347 15G-2 0.05857 0.28211 0.05247 0.06038 0.15660
|
|
348 15G+3 0.20520 -0.09184 0.02278 0.04884 0.06524
|
|
349 15G-3 0.02849 0.19433 -0.03157 0.15521 -0.02064
|
|
350 15G+4 0.08902 -0.00168 0.10901 0.04565 0.08058
|
|
351 15G-4 0.03841 0.08717 0.03149 0.01655 -0.01563
|
|
352 6 H 1S 0.16934 0.17222 0.25486 0.01587 -0.39805
|
|
353 2S -0.23537 -0.86163 -0.63001 -0.02111 1.41424
|
|
354 3S -1.42718 3.42038 -1.57227 0.44635 -2.69787
|
|
355 4S -0.33616 1.33426 0.54574 0.14501 -1.69351
|
|
356 5S -0.01127 -0.14471 0.08299 -0.03531 0.07772
|
|
357 6PX -0.00612 -0.05400 -0.08503 -0.12091 -0.07739
|
|
358 6PY -0.00300 0.05940 0.07381 0.00640 -0.13735
|
|
359 6PZ -0.00908 -0.03199 -0.06595 -0.08031 -0.04427
|
|
360 7PX -0.03120 0.08683 0.05119 0.11690 -0.11085
|
|
361 7PY 0.02115 0.08029 -0.00304 0.02010 -0.07614
|
|
362 7PZ -0.00171 -0.18843 -0.05118 0.07989 0.22813
|
|
363 8PX 1.41585 -0.75492 -0.31274 -2.20441 0.04748
|
|
364 8PY -0.39831 -0.56531 0.52155 -0.48313 0.31705
|
|
365 8PZ -0.42538 1.39420 -0.95702 -1.14688 -1.05227
|
|
366 9PX -0.08396 -0.26452 -0.16947 -0.14343 0.32347
|
|
367 9PY 0.31915 -0.20651 -0.11154 0.04525 0.12170
|
|
368 9PZ -0.00762 0.40242 0.30821 0.00359 -0.70707
|
|
369 10D 0 0.03364 -0.17345 0.12019 0.52985 -0.29203
|
|
370 10D+1 -0.37564 -0.03240 -0.27228 0.32251 0.10173
|
|
371 10D-1 0.30961 0.34938 0.03928 0.15256 -0.13305
|
|
372 10D+2 0.39279 0.16625 -0.05326 -0.14863 -0.14510
|
|
373 10D-2 0.25830 0.09115 0.18938 -0.06232 0.36798
|
|
374 11D 0 0.00845 0.24141 -0.42319 -1.22558 -0.05211
|
|
375 11D+1 0.62880 -0.19337 0.09961 -0.79391 -0.13413
|
|
376 11D-1 -0.46012 -0.36552 0.21594 -0.17324 0.09750
|
|
377 11D+2 -0.67483 -0.04735 0.26232 0.47409 0.20696
|
|
378 11D-2 -0.30211 0.00536 -0.17027 0.25411 -0.23296
|
|
379 12D 0 0.07090 -0.14087 -0.00770 0.04997 -0.13878
|
|
380 12D+1 0.09094 -0.06954 0.04250 0.01586 -0.22989
|
|
381 12D-1 0.02198 -0.05553 -0.36951 0.22792 -0.09468
|
|
382 12D+2 0.26658 -0.00123 0.27157 -0.01231 -0.10510
|
|
383 12D-2 -0.00079 -0.28399 -0.03342 0.36106 -0.28357
|
|
384 13F 0 0.05077 0.01969 -0.12238 -0.40021 -0.30536
|
|
385 13F+1 -0.09945 -0.17619 -0.20761 -0.07872 0.37478
|
|
386 13F-1 0.05554 0.07226 0.30998 0.01442 0.18272
|
|
387 13F+2 -0.14502 0.20116 0.24220 0.18021 -0.05953
|
|
388 13F-2 0.03370 0.18239 0.09701 0.03087 0.17802
|
|
389 13F+3 0.09571 0.03794 0.00333 -0.13627 0.08311
|
|
390 13F-3 -0.04140 -0.20807 -0.04512 -0.05870 -0.13677
|
|
391 14F 0 -0.05090 -0.15387 -0.02037 0.15350 0.07661
|
|
392 14F+1 0.12454 0.17649 0.24084 0.06032 -0.48520
|
|
393 14F-1 -0.14514 -0.04136 -0.37367 0.08683 -0.31504
|
|
394 14F+2 0.10589 -0.14659 -0.07991 -0.04842 0.09828
|
|
395 14F-2 -0.02372 -0.30835 -0.08942 0.05727 -0.13449
|
|
396 14F+3 -0.13791 -0.09136 -0.14409 0.11448 -0.12025
|
|
397 14F-3 0.09419 0.25241 0.01309 -0.01846 0.16450
|
|
398 15G 0 -0.10669 -0.12743 -0.00707 0.28639 -0.11158
|
|
399 15G+1 0.08225 0.10810 0.05385 -0.10459 -0.18371
|
|
400 15G-1 -0.00448 0.07038 -0.22511 -0.10658 -0.24038
|
|
401 15G+2 0.20802 -0.10578 -0.11873 -0.10112 0.03937
|
|
402 15G-2 0.05857 -0.28211 0.05247 -0.06038 0.15660
|
|
403 15G+3 -0.20520 -0.09184 -0.02278 0.04884 -0.06524
|
|
404 15G-3 -0.02849 0.19433 0.03157 0.15521 0.02064
|
|
405 15G+4 0.08902 0.00168 0.10901 -0.04565 0.08058
|
|
406 15G-4 0.03841 -0.08717 0.03149 -0.01655 -0.01563
|
|
366 367 368 369 370
|
|
V V V V V
|
|
Eigenvalues -- 15.05020 15.14512 15.28211 15.46767 15.47266
|
|
1 1 C 1S 0.05954 0.00000 0.00019 0.00164 0.00000
|
|
2 2S -0.26969 0.00000 0.00756 -0.00023 0.00000
|
|
3 3S -1.12357 0.00000 0.20771 0.04900 0.00000
|
|
4 4S -4.67818 0.00000 -2.10087 -0.57551 0.00000
|
|
5 5S 16.82258 0.00000 4.09449 0.91588 0.00000
|
|
6 6S 0.35517 0.00000 -0.69570 -0.32994 0.00000
|
|
7 7PX -0.01018 0.00000 -0.00822 0.18088 0.00000
|
|
8 7PY 0.11021 0.00000 -0.03142 0.00297 0.00000
|
|
9 7PZ 0.00000 0.02236 0.00000 0.00000 0.19499
|
|
10 8PX 0.21020 0.00000 0.08073 -2.49464 0.00000
|
|
11 8PY -1.31897 0.00000 0.01786 -0.15919 0.00000
|
|
12 8PZ 0.00000 -0.05234 0.00000 0.00000 -2.64864
|
|
13 9PX -0.77669 0.00000 -0.46155 17.23602 0.00000
|
|
14 9PY 5.17086 0.00000 0.02356 1.13754 0.00000
|
|
15 9PZ 0.00000 0.08707 0.00000 0.00000 18.20549
|
|
16 10PX -0.10987 0.00000 0.43387 7.13761 0.00000
|
|
17 10PY -1.28660 0.00000 0.53587 0.56798 0.00000
|
|
18 10PZ 0.00000 -0.69012 0.00000 0.00000 7.47334
|
|
19 11PX 0.01560 0.00000 -0.04397 0.22705 0.00000
|
|
20 11PY -0.07476 0.00000 0.10066 0.06516 0.00000
|
|
21 11PZ 0.00000 -0.02577 0.00000 0.00000 0.25497
|
|
22 12D 0 -0.03471 0.00000 0.00652 -0.32700 0.00000
|
|
23 12D+1 0.00000 -0.00543 0.00000 0.00000 -0.35658
|
|
24 12D-1 0.00000 -0.00071 0.00000 0.00000 -0.10740
|
|
25 12D+2 -0.11921 0.00000 0.02772 0.18526 0.00000
|
|
26 12D-2 0.03738 0.00000 -0.04087 -0.08354 0.00000
|
|
27 13D 0 -0.06613 0.00000 0.03159 0.21650 0.00000
|
|
28 13D+1 0.00000 0.03462 0.00000 0.00000 0.22903
|
|
29 13D-1 0.00000 0.02561 0.00000 0.00000 0.15622
|
|
30 13D+2 0.09340 0.00000 -0.10750 -0.14891 0.00000
|
|
31 13D-2 -0.04549 0.00000 0.12401 0.17640 0.00000
|
|
32 14D 0 1.00787 0.00000 -0.37573 6.22737 0.00000
|
|
33 14D+1 0.00000 -0.19929 0.00000 0.00000 7.01936
|
|
34 14D-1 0.00000 -0.16415 0.00000 0.00000 5.36791
|
|
35 14D+2 1.13003 0.00000 0.27929 -4.11563 0.00000
|
|
36 14D-2 -0.00913 0.00000 -0.67831 4.05794 0.00000
|
|
37 15D 0 -0.03431 0.00000 0.08881 2.26649 0.00000
|
|
38 15D+1 0.00000 -0.10702 0.00000 0.00000 2.44772
|
|
39 15D-1 0.00000 0.19926 0.00000 0.00000 1.33423
|
|
40 15D+2 -0.23632 0.00000 0.04526 -1.39882 0.00000
|
|
41 15D-2 -0.13768 0.00000 -0.16407 0.96057 0.00000
|
|
42 16F 0 0.00000 -0.02106 0.00000 0.00000 -0.14842
|
|
43 16F+1 -0.10262 0.00000 -0.00641 -0.03516 0.00000
|
|
44 16F-1 -0.01414 0.00000 0.03627 -0.23892 0.00000
|
|
45 16F+2 0.00000 -0.03090 0.00000 0.00000 -0.11037
|
|
46 16F-2 0.00000 0.03956 0.00000 0.00000 -0.31901
|
|
47 16F+3 0.02933 0.00000 -0.00191 -0.22165 0.00000
|
|
48 16F-3 0.08978 0.00000 -0.03972 0.13005 0.00000
|
|
49 17F 0 0.00000 0.05582 0.00000 0.00000 0.60378
|
|
50 17F+1 1.21367 0.00000 -0.02149 0.12306 0.00000
|
|
51 17F-1 0.07881 0.00000 -0.09483 0.97174 0.00000
|
|
52 17F+2 0.00000 0.07597 0.00000 0.00000 0.45789
|
|
53 17F-2 0.00000 -0.07832 0.00000 0.00000 1.30170
|
|
54 17F+3 -0.28862 0.00000 0.02783 0.90601 0.00000
|
|
55 17F-3 -0.29884 0.00000 0.14200 -0.54389 0.00000
|
|
56 18F 0 0.00000 0.07478 0.00000 0.00000 0.55151
|
|
57 18F+1 1.52706 0.00000 0.45242 0.22794 0.00000
|
|
58 18F-1 1.11152 0.00000 0.09768 1.02742 0.00000
|
|
59 18F+2 0.00000 0.05212 0.00000 0.00000 0.37032
|
|
60 18F-2 0.00000 -0.15434 0.00000 0.00000 1.34903
|
|
61 18F+3 -0.45408 0.00000 -0.08986 0.79877 0.00000
|
|
62 18F-3 0.67277 0.00000 0.42446 -0.49194 0.00000
|
|
63 19G 0 -0.00772 0.00000 -0.01297 0.03059 0.00000
|
|
64 19G+1 0.00000 -0.04152 0.00000 0.00000 -0.07348
|
|
65 19G-1 0.00000 -0.00055 0.00000 0.00000 -0.20668
|
|
66 19G+2 -0.03115 0.00000 -0.03526 -0.08479 0.00000
|
|
67 19G-2 0.06231 0.00000 0.04783 -0.11194 0.00000
|
|
68 19G+3 0.00000 -0.00409 0.00000 0.00000 -0.01917
|
|
69 19G-3 0.00000 -0.00675 0.00000 0.00000 -0.18950
|
|
70 19G+4 0.00156 0.00000 -0.04361 0.11865 0.00000
|
|
71 19G-4 -0.02829 0.00000 0.05058 -0.20571 0.00000
|
|
72 20G 0 -0.04131 0.00000 0.12941 -0.55380 0.00000
|
|
73 20G+1 0.00000 0.14895 0.00000 0.00000 0.94007
|
|
74 20G-1 0.00000 0.02974 0.00000 0.00000 0.30103
|
|
75 20G+2 -0.25911 0.00000 0.08178 0.66707 0.00000
|
|
76 20G-2 -0.00261 0.00000 -0.07554 0.14891 0.00000
|
|
77 20G+3 0.00000 -0.00967 0.00000 0.00000 -0.22837
|
|
78 20G-3 0.00000 0.01084 0.00000 0.00000 0.12977
|
|
79 20G+4 -0.19566 0.00000 -0.12458 -0.28332 0.00000
|
|
80 20G-4 0.02394 0.00000 0.01131 0.19355 0.00000
|
|
81 21H 0 0.00000 0.00391 0.00000 0.00000 -0.06629
|
|
82 21H+1 0.08058 0.00000 -0.04567 0.23754 0.00000
|
|
83 21H-1 -0.18476 0.00000 -0.02640 0.03949 0.00000
|
|
84 21H+2 0.00000 0.00387 0.00000 0.00000 0.32911
|
|
85 21H-2 0.00000 0.00391 0.00000 0.00000 -0.31784
|
|
86 21H+3 0.02870 0.00000 0.00537 0.06413 0.00000
|
|
87 21H-3 -0.24412 0.00000 0.01485 -0.29701 0.00000
|
|
88 21H+4 0.00000 0.00108 0.00000 0.00000 0.08649
|
|
89 21H-4 0.00000 0.00832 0.00000 0.00000 -0.05020
|
|
90 21H+5 0.10624 0.00000 0.04634 0.09601 0.00000
|
|
91 21H-5 -0.30535 0.00000 -0.00304 0.25763 0.00000
|
|
92 2 S 1S 0.00041 0.00000 -0.00061 0.00076 0.00000
|
|
93 2S 0.01592 0.00000 -0.00032 0.00096 0.00000
|
|
94 3S -0.03359 0.00000 -0.02132 0.01592 0.00000
|
|
95 4S -0.18298 0.00000 -0.16431 0.06423 0.00000
|
|
96 5S 0.74683 0.00000 0.69082 -0.05837 0.00000
|
|
97 6S -2.02937 0.00000 -0.77149 -0.24676 0.00000
|
|
98 7S -0.66268 0.00000 0.10231 -0.06132 0.00000
|
|
99 8PX -0.00491 0.00000 0.00342 0.00604 0.00000
|
|
100 8PY 0.00474 0.00000 0.04424 0.01085 0.00000
|
|
101 8PZ 0.00000 0.04949 0.00000 0.00000 -0.00046
|
|
102 9PX 0.00121 0.00000 0.00217 0.00403 0.00000
|
|
103 9PY 0.00129 0.00000 -0.00261 0.00448 0.00000
|
|
104 9PZ 0.00000 0.00088 0.00000 0.00000 -0.00169
|
|
105 10PX 0.07610 0.00000 -0.04955 -0.01641 0.00000
|
|
106 10PY -0.03080 0.00000 -0.51714 -0.06130 0.00000
|
|
107 10PZ 0.00000 -0.52276 0.00000 0.00000 -0.02784
|
|
108 11PX -0.23370 0.00000 0.34617 0.07885 0.00000
|
|
109 11PY -0.05195 0.00000 1.25320 0.11117 0.00000
|
|
110 11PZ 0.00000 1.16219 0.00000 0.00000 0.15328
|
|
111 12PX 0.17551 0.00000 -0.34358 -0.44035 0.00000
|
|
112 12PY -1.85389 0.00000 -0.57469 -0.04530 0.00000
|
|
113 12PZ 0.00000 0.39392 0.00000 0.00000 -0.13117
|
|
114 13PX -0.01031 0.00000 -0.01165 -0.07618 0.00000
|
|
115 13PY -0.09083 0.00000 -0.04292 -0.01757 0.00000
|
|
116 13PZ 0.00000 0.00077 0.00000 0.00000 -0.02900
|
|
117 14D 0 0.21428 0.00000 0.17028 -0.06472 0.00000
|
|
118 14D+1 0.00000 -0.01230 0.00000 0.00000 0.00004
|
|
119 14D-1 0.00000 0.17414 0.00000 0.00000 -0.18017
|
|
120 14D+2 0.67102 0.00000 0.42485 0.10688 0.00000
|
|
121 14D-2 -0.30258 0.00000 -0.63017 -0.32702 0.00000
|
|
122 15D 0 0.12936 0.00000 0.20108 0.08436 0.00000
|
|
123 15D+1 0.00000 1.64948 0.00000 0.00000 0.06009
|
|
124 15D-1 0.00000 -0.23753 0.00000 0.00000 0.03345
|
|
125 15D+2 -0.22350 0.00000 0.56106 0.03628 0.00000
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|
377 11D+2 0.13550 -0.08435 0.12470 0.29261 -0.16808
|
|
378 11D-2 -0.04695 0.05761 -0.04187 0.02644 0.55092
|
|
379 12D 0 0.30090 0.02966 -0.00044 -0.25264 0.26343
|
|
380 12D+1 -0.18847 -0.03054 -0.08708 0.19508 -0.55016
|
|
381 12D-1 -0.27104 0.00257 -0.16137 0.25375 -0.48888
|
|
382 12D+2 0.05136 0.06333 -0.13636 0.08233 -0.11048
|
|
383 12D-2 0.26421 0.00062 0.02205 -0.08200 0.29214
|
|
384 13F 0 0.00385 -0.01577 -0.02818 0.22575 0.07866
|
|
385 13F+1 0.20534 0.00146 0.05733 0.03865 -0.01070
|
|
386 13F-1 0.12727 0.00808 0.01926 -0.01847 -0.03855
|
|
387 13F+2 -0.02404 -0.01095 0.03909 -0.09654 -0.11354
|
|
388 13F-2 -0.14494 -0.01490 0.00787 -0.08592 0.03366
|
|
389 13F+3 -0.07113 0.00574 0.00829 0.00178 0.03165
|
|
390 13F-3 0.10571 -0.00031 0.00068 0.01385 0.05998
|
|
391 14F 0 0.12686 0.01736 -0.00338 -0.12601 -0.19788
|
|
392 14F+1 -0.13994 -0.00557 -0.11110 -0.01431 -0.07062
|
|
393 14F-1 -0.35533 -0.01058 -0.05730 0.01543 0.19031
|
|
394 14F+2 0.11088 0.01339 -0.05942 0.17947 -0.06090
|
|
395 14F-2 0.25941 0.03407 0.00546 0.15665 -0.02566
|
|
396 14F+3 0.01751 -0.00372 0.00927 -0.00609 0.10953
|
|
397 14F-3 -0.34964 0.00521 0.00806 -0.15113 0.07686
|
|
398 15G 0 0.05877 0.03001 -0.04286 0.03252 0.01105
|
|
399 15G+1 0.00349 -0.01090 -0.03652 -0.06746 0.03512
|
|
400 15G-1 -0.31518 -0.01002 -0.01848 -0.10317 0.33835
|
|
401 15G+2 0.02963 0.01225 -0.02521 -0.00845 -0.00176
|
|
402 15G-2 0.16778 0.01273 0.02407 0.17403 -0.27570
|
|
403 15G+3 -0.04058 -0.01118 0.03277 0.03103 0.07324
|
|
404 15G-3 -0.36131 -0.00562 0.02357 -0.19803 0.22838
|
|
405 15G+4 -0.07094 0.01391 -0.00491 -0.09083 0.07894
|
|
406 15G-4 0.24316 -0.00328 -0.01333 0.06777 -0.08385
|
|
371 372 373 374 375
|
|
V V V V V
|
|
Eigenvalues -- 15.66803 15.80867 15.84733 15.86862 16.04604
|
|
1 1 C 1S 0.03119 0.02688 0.00000 0.04062 0.00046
|
|
2 2S -0.04647 -0.15769 0.00000 -0.38008 -0.01409
|
|
3 3S 0.20994 -0.82797 0.00000 -2.37782 -0.13261
|
|
4 4S -4.36847 -1.13979 0.00000 0.49254 0.46929
|
|
5 5S 6.47800 8.56534 0.00000 18.97247 -0.00962
|
|
6 6S -0.61060 0.96915 0.00000 3.68309 0.10616
|
|
7 7PX -0.02754 -0.01552 0.00000 0.00659 0.02229
|
|
8 7PY 0.14296 0.00922 0.00000 -0.12611 -0.00046
|
|
9 7PZ 0.00000 0.00000 -0.01926 0.00000 0.00000
|
|
10 8PX 0.50525 -0.78528 0.00000 0.42053 -1.26765
|
|
11 8PY -0.90452 -0.51203 0.00000 -0.32537 -0.07733
|
|
12 8PZ 0.00000 0.00000 -1.12133 0.00000 0.00000
|
|
13 9PX -4.12618 8.92282 0.00000 -4.22978 11.11736
|
|
14 9PY 2.02869 3.17981 0.00000 4.73428 0.83648
|
|
15 9PZ 0.00000 0.00000 11.94677 0.00000 0.00000
|
|
16 10PX -1.07102 2.41572 0.00000 -1.05839 4.27631
|
|
17 10PY -0.79802 -0.76759 0.00000 -1.47372 0.37908
|
|
18 10PZ 0.00000 0.00000 3.23997 0.00000 0.00000
|
|
19 11PX 0.01915 -0.09901 0.00000 0.08160 0.16233
|
|
20 11PY 0.14418 -0.11493 0.00000 -0.37265 -0.00535
|
|
21 11PZ 0.00000 0.00000 -0.07516 0.00000 0.00000
|
|
22 12D 0 -0.06861 -0.17668 0.00000 -0.21589 -0.01901
|
|
23 12D+1 0.00000 0.00000 -0.04747 0.00000 0.00000
|
|
24 12D-1 0.00000 0.00000 -0.03688 0.00000 0.00000
|
|
25 12D+2 -0.21528 -0.19982 0.00000 -0.40867 0.04456
|
|
26 12D-2 -0.02810 -0.01969 0.00000 -0.02452 -0.22188
|
|
27 13D 0 -0.14698 0.42677 0.00000 0.31197 0.02136
|
|
28 13D+1 0.00000 0.00000 0.32305 0.00000 0.00000
|
|
29 13D-1 0.00000 0.00000 0.11406 0.00000 0.00000
|
|
30 13D+2 0.06607 0.13128 0.00000 0.77512 -0.05563
|
|
31 13D-2 0.00879 0.05796 0.00000 0.04450 0.33113
|
|
32 14D 0 -0.56847 3.29918 0.00000 0.04452 4.09831
|
|
33 14D+1 0.00000 0.00000 3.66745 0.00000 0.00000
|
|
34 14D-1 0.00000 0.00000 3.60692 0.00000 0.00000
|
|
35 14D+2 1.65908 -0.89107 0.00000 2.57775 -2.59251
|
|
36 14D-2 -0.94435 2.39050 0.00000 -0.85799 2.91266
|
|
37 15D 0 -0.15680 0.05520 0.00000 -0.39098 1.19746
|
|
38 15D+1 0.00000 0.00000 0.38026 0.00000 0.00000
|
|
39 15D-1 0.00000 0.00000 1.22485 0.00000 0.00000
|
|
40 15D+2 -0.01222 -0.56118 0.00000 -0.41148 -0.72936
|
|
41 15D-2 -0.54150 0.89704 0.00000 -0.38800 0.66378
|
|
42 16F 0 0.00000 0.00000 -0.07885 0.00000 0.00000
|
|
43 16F+1 0.05333 0.09172 0.00000 0.17769 -0.03045
|
|
44 16F-1 -0.00365 -0.21489 0.00000 0.13548 -0.12740
|
|
45 16F+2 0.00000 0.00000 -0.04382 0.00000 0.00000
|
|
46 16F-2 0.00000 0.00000 -0.31164 0.00000 0.00000
|
|
47 16F+3 0.04514 -0.11187 0.00000 -0.02545 -0.15814
|
|
48 16F-3 -0.14711 0.12621 0.00000 -0.00687 0.08879
|
|
49 17F 0 0.00000 0.00000 0.62920 0.00000 0.00000
|
|
50 17F+1 -0.60940 0.28241 0.00000 1.06123 0.30057
|
|
51 17F-1 -0.16215 1.43233 0.00000 0.24580 0.66575
|
|
52 17F+2 0.00000 0.00000 0.52953 0.00000 0.00000
|
|
53 17F-2 0.00000 0.00000 1.67170 0.00000 0.00000
|
|
54 17F+3 -0.20921 0.66284 0.00000 -0.75654 1.06275
|
|
55 17F-3 0.62331 -0.31318 0.00000 0.97592 -0.30359
|
|
56 18F 0 0.00000 0.00000 0.28493 0.00000 0.00000
|
|
57 18F+1 0.33277 0.48800 0.00000 1.02253 0.02547
|
|
58 18F-1 0.26438 1.16954 0.00000 0.54555 0.62808
|
|
59 18F+2 0.00000 0.00000 0.10763 0.00000 0.00000
|
|
60 18F-2 0.00000 0.00000 0.99155 0.00000 0.00000
|
|
61 18F+3 -0.35203 0.12541 0.00000 -0.43651 0.28720
|
|
62 18F-3 0.68775 0.03582 0.00000 1.04610 -0.49621
|
|
63 19G 0 0.15872 -0.23089 0.00000 0.10645 0.19604
|
|
64 19G+1 0.00000 0.00000 0.10175 0.00000 0.00000
|
|
65 19G-1 0.00000 0.00000 0.11613 0.00000 0.00000
|
|
66 19G+2 0.11068 0.06498 0.00000 -0.06018 -0.12064
|
|
67 19G-2 -0.13304 0.14604 0.00000 0.46341 0.10293
|
|
68 19G+3 0.00000 0.00000 -0.26334 0.00000 0.00000
|
|
69 19G-3 0.00000 0.00000 0.01924 0.00000 0.00000
|
|
70 19G+4 0.06533 0.14536 0.00000 0.05041 -0.08905
|
|
71 19G-4 0.09314 0.04762 0.00000 -0.19466 0.22849
|
|
72 20G 0 0.27723 -0.79403 0.00000 0.30782 0.48727
|
|
73 20G+1 0.00000 0.00000 0.44103 0.00000 0.00000
|
|
74 20G-1 0.00000 0.00000 0.36292 0.00000 0.00000
|
|
75 20G+2 -0.12202 0.12675 0.00000 -0.09630 0.00166
|
|
76 20G-2 -0.37926 0.06721 0.00000 0.22435 0.37795
|
|
77 20G+3 0.00000 0.00000 -0.76048 0.00000 0.00000
|
|
78 20G-3 0.00000 0.00000 0.08957 0.00000 0.00000
|
|
79 20G+4 -0.22301 0.17500 0.00000 -0.09878 -0.46345
|
|
80 20G-4 0.00645 0.28710 0.00000 -0.29144 0.78617
|
|
81 21H 0 0.00000 0.00000 0.51899 0.00000 0.00000
|
|
82 21H+1 0.24549 -0.38364 0.00000 0.18515 -0.56315
|
|
83 21H-1 0.15176 0.05554 0.00000 0.17964 0.46411
|
|
84 21H+2 0.00000 0.00000 -0.37989 0.00000 0.00000
|
|
85 21H-2 0.00000 0.00000 -0.04369 0.00000 0.00000
|
|
86 21H+3 0.17870 0.35564 0.00000 -0.14282 0.21866
|
|
87 21H-3 0.17985 0.16700 0.00000 0.14738 0.00603
|
|
88 21H+4 0.00000 0.00000 0.22219 0.00000 0.00000
|
|
89 21H-4 0.00000 0.00000 0.10268 0.00000 0.00000
|
|
90 21H+5 -0.20436 -0.02094 0.00000 -0.09602 0.03714
|
|
91 21H-5 0.03705 0.16950 0.00000 0.21562 -0.31163
|
|
92 2 S 1S -0.00059 0.00011 0.00000 -0.00004 -0.00172
|
|
93 2S 0.01020 0.00882 0.00000 0.01802 0.00337
|
|
94 3S -0.04167 -0.02126 0.00000 -0.05378 -0.05169
|
|
95 4S -0.18193 -0.10326 0.00000 -0.29256 -0.18633
|
|
96 5S 0.38725 0.40175 0.00000 1.02853 -0.04416
|
|
97 6S -0.76833 -1.29500 0.00000 -2.16003 0.70231
|
|
98 7S 0.23012 -0.78678 0.00000 -1.86368 0.03569
|
|
99 8PX -0.00613 0.00186 0.00000 -0.00621 -0.00776
|
|
100 8PY -0.00157 -0.00218 0.00000 0.00829 -0.00464
|
|
101 8PZ 0.00000 0.00000 -0.00417 0.00000 0.00000
|
|
102 9PX -0.00446 0.00323 0.00000 -0.00259 -0.00993
|
|
103 9PY -0.00588 -0.00492 0.00000 -0.00012 -0.00233
|
|
104 9PZ 0.00000 0.00000 -0.00273 0.00000 0.00000
|
|
105 10PX 0.00416 0.02687 0.00000 0.04515 -0.07944
|
|
106 10PY -0.04455 -0.02725 0.00000 -0.09744 0.02380
|
|
107 10PZ 0.00000 0.00000 0.01368 0.00000 0.00000
|
|
108 11PX 0.04039 -0.12424 0.00000 -0.12996 0.31330
|
|
109 11PY -0.00909 -0.02270 0.00000 0.23645 -0.05679
|
|
110 11PZ 0.00000 0.00000 -0.04661 0.00000 0.00000
|
|
111 12PX 0.08089 0.20859 0.00000 0.32999 0.10160
|
|
112 12PY -0.69148 -1.14964 0.00000 -2.66336 0.08468
|
|
113 12PZ 0.00000 0.00000 0.27060 0.00000 0.00000
|
|
114 13PX -0.02613 0.00908 0.00000 0.05522 -0.02460
|
|
115 13PY 0.08065 -0.12590 0.00000 -0.40130 -0.01544
|
|
116 13PZ 0.00000 0.00000 0.04621 0.00000 0.00000
|
|
117 14D 0 0.00016 0.20480 0.00000 0.33003 -0.10746
|
|
118 14D+1 0.00000 0.00000 0.09445 0.00000 0.00000
|
|
119 14D-1 0.00000 0.00000 0.18832 0.00000 0.00000
|
|
120 14D+2 0.29809 0.30975 0.00000 1.06662 0.05129
|
|
121 14D-2 -0.30663 0.03460 0.00000 -0.19879 -0.12875
|
|
122 15D 0 0.01903 0.04965 0.00000 0.17471 -0.14520
|
|
123 15D+1 0.00000 0.00000 -0.03867 0.00000 0.00000
|
|
124 15D-1 0.00000 0.00000 0.01835 0.00000 0.00000
|
|
125 15D+2 -0.05604 0.02461 0.00000 0.05060 0.09844
|
|
126 15D-2 0.08180 0.10091 0.00000 0.29332 -0.36286
|
|
127 16D 0 -0.01162 0.00421 0.00000 -0.06332 -0.00410
|
|
128 16D+1 0.00000 0.00000 0.01390 0.00000 0.00000
|
|
129 16D-1 0.00000 0.00000 -0.00360 0.00000 0.00000
|
|
130 16D+2 0.05884 -0.02189 0.00000 -0.01830 0.02789
|
|
131 16D-2 -0.03176 -0.03134 0.00000 -0.08316 0.10196
|
|
132 17D 0 0.00846 0.00048 0.00000 0.02458 0.01312
|
|
133 17D+1 0.00000 0.00000 -0.00246 0.00000 0.00000
|
|
134 17D-1 0.00000 0.00000 0.00166 0.00000 0.00000
|
|
135 17D+2 -0.01390 0.01595 0.00000 0.01815 -0.02035
|
|
136 17D-2 0.01005 0.00931 0.00000 0.01572 -0.01580
|
|
137 18F 0 0.00000 0.00000 -0.05568 0.00000 0.00000
|
|
138 18F+1 0.00155 -0.02547 0.00000 -0.02965 -0.01440
|
|
139 18F-1 -0.01151 0.08460 0.00000 0.08598 -0.02092
|
|
140 18F+2 0.00000 0.00000 -0.01335 0.00000 0.00000
|
|
141 18F-2 0.00000 0.00000 0.07124 0.00000 0.00000
|
|
142 18F+3 0.18203 0.03266 0.00000 0.19025 0.05436
|
|
143 18F-3 -0.02465 -0.05643 0.00000 0.10083 -0.01016
|
|
144 19F 0 0.00000 0.00000 0.01900 0.00000 0.00000
|
|
145 19F+1 -0.00655 -0.00746 0.00000 0.01580 -0.04281
|
|
146 19F-1 -0.09062 -0.09690 0.00000 -0.06216 0.06445
|
|
147 19F+2 0.00000 0.00000 -0.03259 0.00000 0.00000
|
|
148 19F-2 0.00000 0.00000 -0.03728 0.00000 0.00000
|
|
149 19F+3 -0.03836 0.00376 0.00000 -0.06769 0.19227
|
|
150 19F-3 -0.14346 0.02027 0.00000 0.06015 -0.21429
|
|
151 20F 0 0.00000 0.00000 -0.00237 0.00000 0.00000
|
|
152 20F+1 0.00084 0.01498 0.00000 0.00782 -0.02042
|
|
153 20F-1 0.02441 0.02147 0.00000 0.00248 -0.01425
|
|
154 20F+2 0.00000 0.00000 0.00822 0.00000 0.00000
|
|
155 20F-2 0.00000 0.00000 0.00889 0.00000 0.00000
|
|
156 20F+3 0.01148 -0.01086 0.00000 0.00970 0.01564
|
|
157 20F-3 0.04318 0.00587 0.00000 0.02754 0.00222
|
|
158 21G 0 0.04522 0.04202 0.00000 0.02488 0.00073
|
|
159 21G+1 0.00000 0.00000 0.00265 0.00000 0.00000
|
|
160 21G-1 0.00000 0.00000 -0.00278 0.00000 0.00000
|
|
161 21G+2 0.08348 0.03483 0.00000 0.05377 -0.02247
|
|
162 21G-2 -0.01005 -0.01675 0.00000 -0.04175 0.05157
|
|
163 21G+3 0.00000 0.00000 0.00488 0.00000 0.00000
|
|
164 21G-3 0.00000 0.00000 0.00523 0.00000 0.00000
|
|
165 21G+4 0.14428 0.09534 0.00000 0.16052 0.01955
|
|
166 21G-4 0.01234 0.05166 0.00000 0.03531 0.00768
|
|
167 22G 0 -0.00364 0.01021 0.00000 -0.01242 0.02546
|
|
168 22G+1 0.00000 0.00000 0.01478 0.00000 0.00000
|
|
169 22G-1 0.00000 0.00000 0.00554 0.00000 0.00000
|
|
170 22G+2 0.00310 0.02339 0.00000 0.01117 -0.01252
|
|
171 22G-2 -0.00822 -0.00348 0.00000 -0.02489 0.03671
|
|
172 22G+3 0.00000 0.00000 0.02060 0.00000 0.00000
|
|
173 22G-3 0.00000 0.00000 0.00348 0.00000 0.00000
|
|
174 22G+4 0.00458 -0.01631 0.00000 0.00602 0.01092
|
|
175 22G-4 -0.01068 0.01371 0.00000 0.02390 0.00165
|
|
176 23H 0 0.00000 0.00000 -0.01138 0.00000 0.00000
|
|
177 23H+1 -0.00206 0.00287 0.00000 -0.00611 0.00643
|
|
178 23H-1 0.02912 0.05677 0.00000 0.02944 -0.00441
|
|
179 23H+2 0.00000 0.00000 -0.00276 0.00000 0.00000
|
|
180 23H-2 0.00000 0.00000 0.01288 0.00000 0.00000
|
|
181 23H+3 0.01184 -0.00403 0.00000 0.01320 -0.02540
|
|
182 23H-3 0.04170 0.02167 0.00000 0.01877 0.03268
|
|
183 23H+4 0.00000 0.00000 0.00243 0.00000 0.00000
|
|
184 23H-4 0.00000 0.00000 0.04413 0.00000 0.00000
|
|
185 23H+5 0.01276 -0.00485 0.00000 0.04950 -0.07002
|
|
186 23H-5 0.04857 0.03400 0.00000 0.08751 -0.03568
|
|
187 3 H 1S -0.00020 0.00085 0.00000 -0.02118 -0.02455
|
|
188 2S -0.01214 -0.02627 0.00000 0.00624 0.15378
|
|
189 3S -0.01522 0.01677 0.00000 0.01107 -0.65055
|
|
190 4S -0.53311 0.01132 0.00000 -0.66709 -0.10248
|
|
191 5S 0.09056 0.03558 0.00000 -0.02501 -0.02286
|
|
192 6PX 0.00511 0.02703 0.00000 0.02364 -0.04112
|
|
193 6PY -0.02336 0.00971 0.00000 -0.03016 0.00285
|
|
194 6PZ 0.00000 0.00000 -0.02145 0.00000 0.00000
|
|
195 7PX -0.00530 -0.01086 0.00000 0.00023 -0.01716
|
|
196 7PY 0.01266 0.00007 0.00000 0.04691 -0.02569
|
|
197 7PZ 0.00000 0.00000 0.01652 0.00000 0.00000
|
|
198 8PX -0.02141 -0.06706 0.00000 -0.17084 0.39241
|
|
199 8PY 0.01934 -0.06161 0.00000 -0.12468 0.11679
|
|
200 8PZ 0.00000 0.00000 0.00755 0.00000 0.00000
|
|
201 9PX 0.22672 -0.03958 0.00000 0.26944 0.09289
|
|
202 9PY -0.03763 0.05534 0.00000 -0.12488 0.00582
|
|
203 9PZ 0.00000 0.00000 -0.03165 0.00000 0.00000
|
|
204 10D 0 0.01596 0.01371 0.00000 0.02721 -0.04974
|
|
205 10D+1 0.00000 0.00000 0.02025 0.00000 0.00000
|
|
206 10D-1 0.00000 0.00000 0.00977 0.00000 0.00000
|
|
207 10D+2 0.02881 -0.00034 0.00000 -0.02783 0.10390
|
|
208 10D-2 0.04023 -0.04455 0.00000 -0.05345 0.05809
|
|
209 11D 0 -0.02548 -0.02200 0.00000 -0.04660 0.08549
|
|
210 11D+1 0.00000 0.00000 -0.03029 0.00000 0.00000
|
|
211 11D-1 0.00000 0.00000 -0.01695 0.00000 0.00000
|
|
212 11D+2 -0.02524 0.01083 0.00000 0.06918 -0.18676
|
|
213 11D-2 -0.05236 0.07511 0.00000 0.08870 -0.09722
|
|
214 12D 0 0.00224 -0.01473 0.00000 -0.02997 0.03747
|
|
215 12D+1 0.00000 0.00000 0.00082 0.00000 0.00000
|
|
216 12D-1 0.00000 0.00000 0.00936 0.00000 0.00000
|
|
217 12D+2 -0.03599 0.05923 0.00000 -0.00830 -0.04022
|
|
218 12D-2 0.06953 -0.01017 0.00000 0.12679 -0.04620
|
|
219 13F 0 0.00000 0.00000 0.01677 0.00000 0.00000
|
|
220 13F+1 -0.00101 0.00099 0.00000 -0.00035 -0.00993
|
|
221 13F-1 -0.01227 -0.00934 0.00000 -0.01233 -0.00731
|
|
222 13F+2 0.00000 0.00000 0.01473 0.00000 0.00000
|
|
223 13F-2 0.00000 0.00000 0.00576 0.00000 0.00000
|
|
224 13F+3 -0.00746 -0.01234 0.00000 -0.01645 0.02439
|
|
225 13F-3 0.00937 -0.01474 0.00000 0.02069 -0.01074
|
|
226 14F 0 0.00000 0.00000 -0.02789 0.00000 0.00000
|
|
227 14F+1 0.00249 0.00788 0.00000 0.02056 -0.03271
|
|
228 14F-1 0.01235 0.01771 0.00000 0.02976 -0.00647
|
|
229 14F+2 0.00000 0.00000 -0.00789 0.00000 0.00000
|
|
230 14F-2 0.00000 0.00000 -0.00039 0.00000 0.00000
|
|
231 14F+3 0.02470 -0.01310 0.00000 -0.00553 0.03325
|
|
232 14F-3 -0.02946 -0.00172 0.00000 -0.10994 0.06494
|
|
233 15G 0 -0.00455 -0.00211 0.00000 0.00206 -0.01796
|
|
234 15G+1 0.00000 0.00000 0.00654 0.00000 0.00000
|
|
235 15G-1 0.00000 0.00000 -0.00461 0.00000 0.00000
|
|
236 15G+2 0.00498 -0.00525 0.00000 -0.00615 0.02078
|
|
237 15G-2 0.00246 -0.00228 0.00000 -0.01049 0.00870
|
|
238 15G+3 0.00000 0.00000 -0.00135 0.00000 0.00000
|
|
239 15G-3 0.00000 0.00000 -0.01382 0.00000 0.00000
|
|
240 15G+4 -0.00837 0.01002 0.00000 0.01599 -0.02124
|
|
241 15G-4 0.02118 0.00167 0.00000 0.05817 -0.02743
|
|
242 4 H 1S -0.09992 -0.31310 0.00000 0.59876 -0.24225
|
|
243 2S 0.69949 0.34375 0.00000 -0.62851 -0.20592
|
|
244 3S -5.96886 4.93322 0.00000 -9.04516 10.30351
|
|
245 4S -0.64580 1.87864 0.00000 -3.28240 4.04055
|
|
246 5S -0.01546 -0.11071 0.00000 0.15526 -0.02947
|
|
247 6PX 0.18280 0.11767 0.00000 -0.61467 0.03229
|
|
248 6PY 0.12176 0.20014 0.00000 0.06732 -0.02173
|
|
249 6PZ 0.00000 0.00000 -0.29205 0.00000 0.00000
|
|
250 7PX 0.05819 -0.26686 0.00000 0.50947 -0.26490
|
|
251 7PY -0.05752 -0.03370 0.00000 -0.05247 0.11771
|
|
252 7PZ 0.00000 0.00000 0.13541 0.00000 0.00000
|
|
253 8PX -2.38763 3.10751 0.00000 -5.02706 5.06007
|
|
254 8PY 0.46365 -0.66232 0.00000 1.12796 -1.72022
|
|
255 8PZ 0.00000 0.00000 -0.45522 0.00000 0.00000
|
|
256 9PX -0.52047 1.11841 0.00000 -1.56011 1.88281
|
|
257 9PY -0.02335 -0.02093 0.00000 0.38493 -0.56133
|
|
258 9PZ 0.00000 0.00000 -0.30968 0.00000 0.00000
|
|
259 10D 0 0.07933 0.38082 0.00000 0.13990 -0.25518
|
|
260 10D+1 0.00000 0.00000 -0.47588 0.00000 0.00000
|
|
261 10D-1 0.00000 0.00000 -0.36213 0.00000 0.00000
|
|
262 10D+2 0.38651 -0.01284 0.00000 -0.07324 -0.37398
|
|
263 10D-2 0.17343 0.39647 0.00000 -0.01622 0.40289
|
|
264 11D 0 -0.04601 -0.58087 0.00000 0.26069 0.36383
|
|
265 11D+1 0.00000 0.00000 0.30602 0.00000 0.00000
|
|
266 11D-1 0.00000 0.00000 0.75067 0.00000 0.00000
|
|
267 11D+2 -0.56305 0.26893 0.00000 -0.72922 0.97507
|
|
268 11D-2 -0.00896 -0.42048 0.00000 0.42401 -0.89408
|
|
269 12D 0 -0.18481 -0.45955 0.00000 0.34599 -0.24440
|
|
270 12D+1 0.00000 0.00000 -0.31150 0.00000 0.00000
|
|
271 12D-1 0.00000 0.00000 0.28200 0.00000 0.00000
|
|
272 12D+2 0.00066 0.65385 0.00000 -0.58067 0.59952
|
|
273 12D-2 -0.06819 -0.26931 0.00000 0.25045 -0.53440
|
|
274 13F 0 0.00000 0.00000 0.12286 0.00000 0.00000
|
|
275 13F+1 0.04719 0.12777 0.00000 0.18615 0.20503
|
|
276 13F-1 -0.01724 -0.06917 0.00000 0.00527 -0.05706
|
|
277 13F+2 0.00000 0.00000 0.01119 0.00000 0.00000
|
|
278 13F-2 0.00000 0.00000 0.18328 0.00000 0.00000
|
|
279 13F+3 0.02882 0.04980 0.00000 -0.24718 0.19815
|
|
280 13F-3 0.18021 0.13832 0.00000 0.24915 -0.14111
|
|
281 14F 0 0.00000 0.00000 0.02429 0.00000 0.00000
|
|
282 14F+1 -0.44384 -0.37148 0.00000 -0.11444 0.48352
|
|
283 14F-1 0.02788 -0.01598 0.00000 -0.00876 -0.11837
|
|
284 14F+2 0.00000 0.00000 0.26195 0.00000 0.00000
|
|
285 14F-2 0.00000 0.00000 0.49408 0.00000 0.00000
|
|
286 14F+3 -0.00643 -0.02128 0.00000 -0.03957 0.12213
|
|
287 14F-3 -0.20648 -0.18627 0.00000 0.05596 -0.38080
|
|
288 15G 0 0.26563 0.08329 0.00000 0.04246 -0.56878
|
|
289 15G+1 0.00000 0.00000 0.02648 0.00000 0.00000
|
|
290 15G-1 0.00000 0.00000 -0.28381 0.00000 0.00000
|
|
291 15G+2 -0.36402 -0.19072 0.00000 -0.02097 0.39863
|
|
292 15G-2 0.04814 -0.16722 0.00000 0.09656 -0.25506
|
|
293 15G+3 0.00000 0.00000 0.49524 0.00000 0.00000
|
|
294 15G-3 0.00000 0.00000 0.40172 0.00000 0.00000
|
|
295 15G+4 0.02109 -0.11054 0.00000 -0.01573 0.14962
|
|
296 15G-4 -0.04632 0.00494 0.00000 0.19014 -0.38329
|
|
297 5 H 1S -0.31171 0.30035 0.42605 0.36997 0.16697
|
|
298 2S 0.75537 -0.11044 -0.28400 -0.50883 -0.01413
|
|
299 3S -0.94970 -6.85712 -8.81932 -4.07813 -5.19958
|
|
300 4S 1.26440 -1.58608 -2.69213 -1.77109 -2.22100
|
|
301 5S -0.09113 0.06599 0.10737 0.01461 0.02747
|
|
302 6PX -0.08392 -0.12058 0.26278 0.30489 0.22142
|
|
303 6PY 0.16985 0.06056 -0.06046 0.18582 0.02139
|
|
304 6PZ -0.28816 0.31294 0.12564 0.35787 -0.04710
|
|
305 7PX 0.04663 -0.03188 -0.25023 -0.17052 -0.20827
|
|
306 7PY -0.04067 -0.06964 -0.06208 -0.08278 -0.07716
|
|
307 7PZ 0.16071 -0.30714 -0.29931 -0.20770 -0.05700
|
|
308 8PX -0.00572 1.37295 2.49934 1.15758 1.28939
|
|
309 8PY -0.20371 1.08948 1.64950 0.82505 1.16602
|
|
310 8PZ -0.42561 3.18670 4.05268 1.78841 2.20152
|
|
311 9PX -0.12573 0.21883 0.87029 0.36507 0.49293
|
|
312 9PY -0.17265 0.18693 0.28733 0.42657 0.42109
|
|
313 9PZ -0.53529 0.89666 1.21985 0.52487 0.84172
|
|
314 10D 0 0.29863 -0.24920 0.28148 0.00072 0.25949
|
|
315 10D+1 -0.08754 0.24036 0.00570 -0.30003 -0.17383
|
|
316 10D-1 -0.31703 0.16220 0.22166 -0.22193 0.16618
|
|
317 10D+2 0.34463 0.31575 -0.21191 0.02614 0.03386
|
|
318 10D-2 -0.00414 -0.17376 0.25916 0.00254 0.17440
|
|
319 11D 0 -0.18148 -0.13182 -0.56821 -0.28400 -0.46016
|
|
320 11D+1 0.21657 -0.49557 -0.44290 -0.08795 0.09707
|
|
321 11D-1 0.32922 -0.58751 -0.43750 -0.05133 -0.43267
|
|
322 11D+2 -0.39928 -0.41753 0.06760 -0.11700 -0.21362
|
|
323 11D-2 -0.12069 0.26291 -0.60302 -0.29507 -0.34896
|
|
324 12D 0 0.38822 -0.38108 -0.38521 -0.03461 -0.23876
|
|
325 12D+1 0.42986 -0.10847 -0.63933 -0.16057 -0.22676
|
|
326 12D-1 0.32401 -0.30430 -0.31341 -0.11284 -0.25760
|
|
327 12D+2 -0.12422 -0.05608 -0.18278 -0.05027 -0.02427
|
|
328 12D-2 0.05329 0.14247 -0.37181 -0.15391 -0.27369
|
|
329 13F 0 -0.07749 0.07608 0.02689 0.02500 -0.01812
|
|
330 13F+1 0.00096 0.08030 -0.01594 0.23039 -0.03429
|
|
331 13F-1 0.10096 0.21200 -0.01316 0.15960 0.09438
|
|
332 13F+2 -0.08125 -0.02775 0.13606 0.03868 0.06510
|
|
333 13F-2 0.12873 0.02005 0.05633 0.19663 0.00881
|
|
334 13F+3 -0.07560 0.04503 0.00734 -0.06509 0.16493
|
|
335 13F-3 0.04790 0.02561 0.11817 0.09365 0.07895
|
|
336 14F 0 0.17141 -0.17058 0.10687 0.10915 0.18365
|
|
337 14F+1 -0.47212 -0.10816 0.01385 -0.15397 -0.20010
|
|
338 14F-1 -0.27755 0.25270 -0.01278 -0.09763 0.10382
|
|
339 14F+2 0.16579 0.08864 -0.04437 0.04199 -0.00618
|
|
340 14F-2 -0.07328 -0.19354 0.17225 0.08179 0.10642
|
|
341 14F+3 0.15314 0.29415 -0.16959 -0.00706 -0.03470
|
|
342 14F-3 0.05843 -0.11147 0.18291 0.05621 0.18506
|
|
343 15G 0 -0.33300 0.24060 -0.16515 -0.13178 -0.15745
|
|
344 15G+1 0.37549 0.15759 0.07337 0.00827 0.17669
|
|
345 15G-1 0.08437 -0.28735 0.01416 -0.01263 -0.09672
|
|
346 15G+2 0.04814 0.13635 0.00785 -0.02877 0.13433
|
|
347 15G-2 0.00099 0.07847 0.11574 -0.09472 -0.00673
|
|
348 15G+3 -0.05478 -0.28776 0.14252 0.10635 -0.15112
|
|
349 15G-3 -0.10797 0.10991 -0.22568 -0.14546 -0.14988
|
|
350 15G+4 -0.05889 -0.18311 0.23229 0.06031 0.04159
|
|
351 15G-4 -0.04202 -0.13216 -0.06217 -0.02233 -0.25600
|
|
352 6 H 1S -0.31171 0.30035 -0.42605 0.36997 0.16697
|
|
353 2S 0.75537 -0.11044 0.28400 -0.50883 -0.01413
|
|
354 3S -0.94970 -6.85712 8.81932 -4.07813 -5.19958
|
|
355 4S 1.26440 -1.58608 2.69213 -1.77109 -2.22100
|
|
356 5S -0.09113 0.06599 -0.10737 0.01461 0.02747
|
|
357 6PX -0.08392 -0.12058 -0.26278 0.30489 0.22142
|
|
358 6PY 0.16985 0.06056 0.06046 0.18582 0.02139
|
|
359 6PZ 0.28816 -0.31294 0.12564 -0.35787 0.04710
|
|
360 7PX 0.04663 -0.03188 0.25023 -0.17052 -0.20827
|
|
361 7PY -0.04067 -0.06964 0.06208 -0.08278 -0.07716
|
|
362 7PZ -0.16071 0.30714 -0.29931 0.20770 0.05700
|
|
363 8PX -0.00572 1.37295 -2.49934 1.15758 1.28939
|
|
364 8PY -0.20371 1.08948 -1.64950 0.82505 1.16602
|
|
365 8PZ 0.42561 -3.18670 4.05268 -1.78841 -2.20152
|
|
366 9PX -0.12573 0.21883 -0.87029 0.36507 0.49293
|
|
367 9PY -0.17265 0.18693 -0.28733 0.42657 0.42109
|
|
368 9PZ 0.53529 -0.89666 1.21985 -0.52487 -0.84172
|
|
369 10D 0 0.29863 -0.24920 -0.28148 0.00072 0.25949
|
|
370 10D+1 0.08754 -0.24036 0.00570 0.30003 0.17383
|
|
371 10D-1 0.31703 -0.16220 0.22166 0.22193 -0.16618
|
|
372 10D+2 0.34463 0.31575 0.21191 0.02614 0.03386
|
|
373 10D-2 -0.00414 -0.17376 -0.25916 0.00254 0.17440
|
|
374 11D 0 -0.18148 -0.13182 0.56821 -0.28400 -0.46016
|
|
375 11D+1 -0.21657 0.49557 -0.44290 0.08795 -0.09707
|
|
376 11D-1 -0.32922 0.58751 -0.43750 0.05133 0.43267
|
|
377 11D+2 -0.39928 -0.41753 -0.06760 -0.11700 -0.21362
|
|
378 11D-2 -0.12069 0.26291 0.60302 -0.29507 -0.34896
|
|
379 12D 0 0.38822 -0.38108 0.38521 -0.03461 -0.23876
|
|
380 12D+1 -0.42986 0.10847 -0.63933 0.16057 0.22676
|
|
381 12D-1 -0.32401 0.30430 -0.31341 0.11284 0.25760
|
|
382 12D+2 -0.12422 -0.05608 0.18278 -0.05027 -0.02427
|
|
383 12D-2 0.05329 0.14247 0.37181 -0.15391 -0.27369
|
|
384 13F 0 0.07749 -0.07608 0.02689 -0.02500 0.01812
|
|
385 13F+1 0.00096 0.08030 0.01594 0.23039 -0.03429
|
|
386 13F-1 0.10096 0.21200 0.01316 0.15960 0.09438
|
|
387 13F+2 0.08125 0.02775 0.13606 -0.03868 -0.06510
|
|
388 13F-2 -0.12873 -0.02005 0.05633 -0.19663 -0.00881
|
|
389 13F+3 -0.07560 0.04503 -0.00734 -0.06509 0.16493
|
|
390 13F-3 0.04790 0.02561 -0.11817 0.09365 0.07895
|
|
391 14F 0 -0.17141 0.17058 0.10687 -0.10915 -0.18365
|
|
392 14F+1 -0.47212 -0.10816 -0.01385 -0.15397 -0.20010
|
|
393 14F-1 -0.27755 0.25270 0.01278 -0.09763 0.10382
|
|
394 14F+2 -0.16579 -0.08864 -0.04437 -0.04199 0.00618
|
|
395 14F-2 0.07328 0.19354 0.17225 -0.08179 -0.10642
|
|
396 14F+3 0.15314 0.29415 0.16959 -0.00706 -0.03470
|
|
397 14F-3 0.05843 -0.11147 -0.18291 0.05621 0.18506
|
|
398 15G 0 -0.33300 0.24060 0.16515 -0.13178 -0.15745
|
|
399 15G+1 -0.37549 -0.15759 0.07337 -0.00827 -0.17669
|
|
400 15G-1 -0.08437 0.28735 0.01416 0.01263 0.09672
|
|
401 15G+2 0.04814 0.13635 -0.00785 -0.02877 0.13433
|
|
402 15G-2 0.00099 0.07847 -0.11574 -0.09472 -0.00673
|
|
403 15G+3 0.05478 0.28776 0.14252 -0.10635 0.15112
|
|
404 15G-3 0.10797 -0.10991 -0.22568 0.14546 0.14988
|
|
405 15G+4 -0.05889 -0.18311 -0.23229 0.06031 0.04159
|
|
406 15G-4 -0.04202 -0.13216 0.06217 -0.02233 -0.25600
|
|
376 377 378 379 380
|
|
V V V V V
|
|
Eigenvalues -- 16.04900 16.36061 16.50154 16.87895 16.88313
|
|
1 1 C 1S 0.00000 0.00000 0.00057 0.00008 0.00000
|
|
2 2S 0.00000 0.00000 -0.00556 -0.00303 0.00000
|
|
3 3S 0.00000 0.00000 -0.06449 -0.04644 0.00000
|
|
4 4S 0.00000 0.00000 0.11823 0.44738 0.00000
|
|
5 5S 0.00000 0.00000 -0.27077 -0.88987 0.00000
|
|
6 6S 0.00000 0.00000 -0.61346 0.20102 0.00000
|
|
7 7PX 0.00000 0.00000 -0.00608 -0.17208 0.00000
|
|
8 7PY 0.00000 0.00000 0.03093 -0.00868 0.00000
|
|
9 7PZ 0.03617 -0.01674 0.00000 0.00000 -0.17813
|
|
10 8PX 0.00000 0.00000 0.01664 -1.57171 0.00000
|
|
11 8PY 0.00000 0.00000 -0.16071 -0.08960 0.00000
|
|
12 8PZ -1.26202 -0.23708 0.00000 0.00000 -1.48315
|
|
13 9PX 0.00000 0.00000 -0.04936 20.94487 0.00000
|
|
14 9PY 0.00000 0.00000 0.40555 1.28295 0.00000
|
|
15 9PZ 10.29563 2.70714 0.00000 0.00000 20.43500
|
|
16 10PX 0.00000 0.00000 0.32029 4.69757 0.00000
|
|
17 10PY 0.00000 0.00000 -0.45002 0.35985 0.00000
|
|
18 10PZ 4.28062 0.72523 0.00000 0.00000 4.64520
|
|
19 11PX 0.00000 0.00000 -0.14576 -0.03610 0.00000
|
|
20 11PY 0.00000 0.00000 -0.04755 -0.04074 0.00000
|
|
21 11PZ 0.18840 0.01539 0.00000 0.00000 -0.06643
|
|
22 12D 0 0.00000 0.00000 0.03475 -0.68155 0.00000
|
|
23 12D+1 -0.02998 -0.04947 0.00000 0.00000 -0.74021
|
|
24 12D-1 -0.23167 -0.05030 0.00000 0.00000 -0.54937
|
|
25 12D+2 0.00000 0.00000 -0.00482 0.45571 0.00000
|
|
26 12D-2 0.00000 0.00000 -0.00142 -0.46213 0.00000
|
|
27 13D 0 0.00000 0.00000 -0.09248 1.41006 0.00000
|
|
28 13D+1 -0.00479 0.10834 0.00000 0.00000 1.53694
|
|
29 13D-1 0.33003 0.10129 0.00000 0.00000 1.13569
|
|
30 13D+2 0.00000 0.00000 -0.01099 -0.94163 0.00000
|
|
31 13D-2 0.00000 0.00000 -0.01652 0.95296 0.00000
|
|
32 14D 0 0.00000 0.00000 0.27592 7.85345 0.00000
|
|
33 14D+1 4.03377 0.93931 0.00000 0.00000 8.28038
|
|
34 14D-1 3.13749 0.78264 0.00000 0.00000 6.59932
|
|
35 14D+2 0.00000 0.00000 -0.02903 -5.18920 0.00000
|
|
36 14D-2 0.00000 0.00000 0.11648 5.55652 0.00000
|
|
37 15D 0 0.00000 0.00000 -0.00817 0.86173 0.00000
|
|
38 15D+1 1.33107 0.14426 0.00000 0.00000 1.02306
|
|
39 15D-1 0.65767 0.21230 0.00000 0.00000 1.54973
|
|
40 15D+2 0.00000 0.00000 -0.19450 -0.67811 0.00000
|
|
41 15D-2 0.00000 0.00000 -0.06349 1.52518 0.00000
|
|
42 16F 0 -0.09377 0.00544 0.00000 0.00000 -0.05238
|
|
43 16F+1 0.00000 0.00000 -0.00247 -0.02166 0.00000
|
|
44 16F-1 0.00000 0.00000 -0.00341 -0.01486 0.00000
|
|
45 16F+2 -0.10431 -0.02967 0.00000 0.00000 -0.07175
|
|
46 16F-2 -0.12829 -0.02425 0.00000 0.00000 -0.02609
|
|
47 16F+3 0.00000 0.00000 0.01059 -0.08565 0.00000
|
|
48 16F-3 0.00000 0.00000 0.03612 0.01249 0.00000
|
|
49 17F 0 0.58877 0.82872 0.00000 0.00000 0.37783
|
|
50 17F+1 0.00000 0.00000 0.04861 0.07311 0.00000
|
|
51 17F-1 0.00000 0.00000 -0.01671 1.50495 0.00000
|
|
52 17F+2 0.73803 -0.43457 0.00000 0.00000 0.32087
|
|
53 17F-2 0.62626 0.14754 0.00000 0.00000 1.90366
|
|
54 17F+3 0.00000 0.00000 0.03246 0.87800 0.00000
|
|
55 17F-3 0.00000 0.00000 -0.04885 -1.07388 0.00000
|
|
56 18F 0 0.16956 -0.50562 0.00000 0.00000 0.67376
|
|
57 18F+1 0.00000 0.00000 0.03163 0.11474 0.00000
|
|
58 18F-1 0.00000 0.00000 0.02991 0.91220 0.00000
|
|
59 18F+2 0.03892 0.49939 0.00000 0.00000 0.64645
|
|
60 18F-2 0.66243 0.21049 0.00000 0.00000 1.20382
|
|
61 18F+3 0.00000 0.00000 -0.03173 1.12902 0.00000
|
|
62 18F-3 0.00000 0.00000 -0.09527 -0.59120 0.00000
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323 11D-2 -0.39745 -0.77152 -0.02991 -0.44788 -0.14391
|
|
324 12D 0 -0.25745 -0.09841 0.03760 -0.59158 -0.95181
|
|
325 12D+1 -0.26086 -0.10399 -0.02499 -0.64894 -1.08533
|
|
326 12D-1 -0.52722 -0.13446 0.07278 -0.64579 -1.04639
|
|
327 12D+2 -0.07295 -0.00280 -0.02249 -0.03471 -0.11215
|
|
328 12D-2 -0.18099 -0.07615 -0.02280 -0.36798 -0.52360
|
|
329 13F 0 0.11898 0.21703 -0.00417 0.00220 0.06588
|
|
330 13F+1 -0.11246 -0.02041 -0.01211 0.17305 0.30213
|
|
331 13F-1 0.09914 -0.15089 0.01592 0.02419 0.21499
|
|
332 13F+2 0.11658 -0.07422 -0.02216 0.05505 0.01218
|
|
333 13F-2 0.06720 0.14398 0.00304 0.15918 0.13374
|
|
334 13F+3 0.03635 -0.14810 0.01537 -0.05591 -0.00513
|
|
335 13F-3 0.10347 0.11879 -0.00582 0.04616 -0.03138
|
|
336 14F 0 -0.04358 -0.00414 0.01966 0.07805 0.02970
|
|
337 14F+1 -0.36217 -0.03015 -0.01216 0.13030 0.25249
|
|
338 14F-1 0.30509 -0.25192 -0.01646 -0.02016 0.23556
|
|
339 14F+2 0.12102 0.08245 0.03033 0.02028 0.00685
|
|
340 14F-2 0.05037 0.24699 0.00019 0.19580 0.08948
|
|
341 14F+3 0.20063 -0.18298 -0.01914 -0.11811 0.04789
|
|
342 14F-3 0.21332 0.20025 0.02803 0.06965 -0.07087
|
|
343 15G 0 -0.18423 -0.32920 -0.01501 -0.03173 0.05797
|
|
344 15G+1 0.45741 -0.00413 0.00885 -0.04990 -0.16515
|
|
345 15G-1 -0.30210 0.30918 -0.01278 0.11350 -0.10690
|
|
346 15G+2 0.06585 -0.04892 0.01860 -0.12351 -0.02625
|
|
347 15G-2 0.06267 -0.05212 0.00231 -0.10458 -0.13887
|
|
348 15G+3 -0.26870 0.26540 0.00024 0.09095 -0.05561
|
|
349 15G-3 -0.26020 -0.26315 -0.00561 -0.11122 0.09639
|
|
350 15G+4 0.00913 0.22305 0.01281 0.05018 -0.09872
|
|
351 15G-4 -0.13956 -0.02924 -0.00603 0.04685 0.03541
|
|
352 6 H 1S -0.17990 -0.07441 0.00114 0.40180 -0.66946
|
|
353 2S -0.17493 0.03391 0.01116 -0.59914 1.00041
|
|
354 3S 8.20659 1.97680 -0.33609 -8.73601 15.14731
|
|
355 4S 3.49357 0.68274 0.47970 -3.03453 4.86624
|
|
356 5S -0.02000 -0.00763 0.09448 0.10147 -0.18818
|
|
357 6PX 0.11879 0.18811 0.00115 0.16840 -0.32201
|
|
358 6PY -0.02839 -0.01918 -0.00017 0.24839 -0.43424
|
|
359 6PZ 0.08192 0.15177 0.00958 -0.35954 0.59973
|
|
360 7PX -0.00826 -0.12236 -0.00355 -0.14276 0.24924
|
|
361 7PY 0.11565 0.02968 -0.00427 -0.22620 0.39492
|
|
362 7PZ -0.20688 -0.14020 -0.00409 0.29217 -0.48793
|
|
363 8PX -1.71150 -0.24847 0.13590 2.29106 -3.80257
|
|
364 8PY -1.87916 -0.46325 0.03249 2.11346 -3.57675
|
|
365 8PZ 3.40163 1.03799 -0.08019 -4.28079 7.34622
|
|
366 9PX -0.65244 -0.07424 0.01607 0.71117 -1.28823
|
|
367 9PY -0.71500 -0.13065 -0.08240 0.58506 -0.92431
|
|
368 9PZ 1.32174 0.36752 0.15484 -1.54205 2.40030
|
|
369 10D 0 -0.01791 0.10701 0.02157 0.02672 0.02594
|
|
370 10D+1 -0.00522 0.11235 -0.00296 0.00767 0.02490
|
|
371 10D-1 0.36616 -0.15729 -0.00998 0.09108 -0.00326
|
|
372 10D+2 -0.38778 -0.04798 0.01566 -0.04520 0.02174
|
|
373 10D-2 -0.15704 -0.35485 0.01536 0.07893 0.11611
|
|
374 11D 0 0.26447 0.04349 -0.02717 -0.43932 0.73360
|
|
375 11D+1 -0.07069 -0.15244 0.00443 0.56938 -0.96642
|
|
376 11D-1 -0.83143 0.25816 0.02400 0.26840 -0.80508
|
|
377 11D+2 0.68293 -0.02599 -0.03332 0.05905 -0.03089
|
|
378 11D-2 0.39745 0.77152 -0.02991 -0.44788 0.14391
|
|
379 12D 0 0.25745 0.09841 0.03760 -0.59158 0.95181
|
|
380 12D+1 -0.26086 -0.10399 0.02499 0.64894 -1.08533
|
|
381 12D-1 -0.52722 -0.13446 -0.07278 0.64579 -1.04639
|
|
382 12D+2 0.07295 0.00280 -0.02249 -0.03471 0.11215
|
|
383 12D-2 0.18099 0.07615 -0.02280 -0.36798 0.52360
|
|
384 13F 0 0.11898 0.21703 0.00417 -0.00220 0.06588
|
|
385 13F+1 0.11246 0.02041 -0.01211 0.17305 -0.30213
|
|
386 13F-1 -0.09914 0.15089 0.01592 0.02419 -0.21499
|
|
387 13F+2 0.11658 -0.07422 0.02216 -0.05505 0.01218
|
|
388 13F-2 0.06720 0.14398 -0.00304 -0.15918 0.13374
|
|
389 13F+3 -0.03635 0.14810 0.01537 -0.05591 0.00513
|
|
390 13F-3 -0.10347 -0.11879 -0.00582 0.04616 0.03138
|
|
391 14F 0 -0.04358 -0.00414 -0.01966 -0.07805 0.02970
|
|
392 14F+1 0.36217 0.03015 -0.01216 0.13030 -0.25249
|
|
393 14F-1 -0.30509 0.25192 -0.01646 -0.02016 -0.23556
|
|
394 14F+2 0.12102 0.08245 -0.03033 -0.02028 0.00685
|
|
395 14F-2 0.05037 0.24699 -0.00019 -0.19580 0.08948
|
|
396 14F+3 -0.20063 0.18298 -0.01914 -0.11811 -0.04789
|
|
397 14F-3 -0.21332 -0.20025 0.02803 0.06965 0.07087
|
|
398 15G 0 0.18423 0.32920 -0.01501 -0.03173 -0.05797
|
|
399 15G+1 0.45741 -0.00413 -0.00885 0.04990 -0.16515
|
|
400 15G-1 -0.30210 0.30918 0.01278 -0.11350 -0.10690
|
|
401 15G+2 -0.06585 0.04892 0.01860 -0.12351 0.02625
|
|
402 15G-2 -0.06267 0.05212 0.00231 -0.10458 0.13887
|
|
403 15G+3 -0.26870 0.26540 -0.00024 -0.09095 -0.05561
|
|
404 15G-3 -0.26020 -0.26315 0.00561 0.11122 0.09639
|
|
405 15G+4 -0.00913 -0.22305 0.01281 0.05018 0.09872
|
|
406 15G-4 0.13956 0.02924 -0.00603 0.04685 -0.03541
|
|
381 382 383 384 385
|
|
V V V V V
|
|
Eigenvalues -- 17.27136 17.44983 17.47640 17.55315 17.60223
|
|
1 1 C 1S 0.00000 0.00000 -0.00312 0.00000 0.00239
|
|
2 2S 0.00000 0.00000 -0.02630 0.00000 0.01016
|
|
3 3S 0.00000 0.00000 -0.20469 0.00000 0.07421
|
|
4 4S 0.00000 0.00000 -0.39573 0.00000 0.26267
|
|
5 5S 0.00000 0.00000 4.17684 0.00000 -1.31959
|
|
6 6S 0.00000 0.00000 0.03523 0.00000 0.51698
|
|
7 7PX 0.00000 0.00000 -0.01204 0.00000 -0.11606
|
|
8 7PY 0.00000 0.00000 0.00493 0.00000 -0.02861
|
|
9 7PZ -0.03613 0.03824 0.00000 -0.11948 0.00000
|
|
10 8PX 0.00000 0.00000 0.01224 0.00000 -0.59808
|
|
11 8PY 0.00000 0.00000 -0.27150 0.00000 0.02789
|
|
12 8PZ 0.04778 -0.08196 0.00000 -0.49880 0.00000
|
|
13 9PX 0.00000 0.00000 0.11240 0.00000 6.45365
|
|
14 9PY 0.00000 0.00000 1.84385 0.00000 0.20890
|
|
15 9PZ 0.30045 -0.53599 0.00000 5.80222 0.00000
|
|
16 10PX 0.00000 0.00000 -0.22215 0.00000 1.78366
|
|
17 10PY 0.00000 0.00000 0.17124 0.00000 0.54066
|
|
18 10PZ 0.06657 0.03703 0.00000 1.39146 0.00000
|
|
19 11PX 0.00000 0.00000 -0.02380 0.00000 0.20158
|
|
20 11PY 0.00000 0.00000 0.08210 0.00000 -0.04632
|
|
21 11PZ -0.10277 0.00266 0.00000 0.10091 0.00000
|
|
22 12D 0 0.00000 0.00000 -0.06050 0.00000 0.04434
|
|
23 12D+1 0.03903 0.00202 0.00000 -0.00714 0.00000
|
|
24 12D-1 0.07113 -0.04300 0.00000 0.33871 0.00000
|
|
25 12D+2 0.00000 0.00000 0.03612 0.00000 -0.00638
|
|
26 12D-2 0.00000 0.00000 0.16108 0.00000 0.29558
|
|
27 13D 0 0.00000 0.00000 0.13602 0.00000 -0.10165
|
|
28 13D+1 -0.07068 -0.04507 0.00000 0.01935 0.00000
|
|
29 13D-1 -0.14934 0.06685 0.00000 -0.71730 0.00000
|
|
30 13D+2 0.00000 0.00000 -0.11294 0.00000 0.03318
|
|
31 13D-2 0.00000 0.00000 -0.32234 0.00000 -0.62793
|
|
32 14D 0 0.00000 0.00000 0.10661 0.00000 0.21432
|
|
33 14D+1 -0.17271 -0.06413 0.00000 0.41775 0.00000
|
|
34 14D-1 -0.27342 0.27956 0.00000 -2.66263 0.00000
|
|
35 14D+2 0.00000 0.00000 0.80655 0.00000 -0.32750
|
|
36 14D-2 0.00000 0.00000 -1.71984 0.00000 -2.36047
|
|
37 15D 0 0.00000 0.00000 0.11121 0.00000 0.39548
|
|
38 15D+1 0.20306 -0.00141 0.00000 0.35049 0.00000
|
|
39 15D-1 -0.06906 -0.04670 0.00000 -0.05802 0.00000
|
|
40 15D+2 0.00000 0.00000 0.02599 0.00000 -0.10747
|
|
41 15D-2 0.00000 0.00000 -0.25370 0.00000 -0.09865
|
|
42 16F 0 0.01361 0.11954 0.00000 0.03522 0.00000
|
|
43 16F+1 0.00000 0.00000 0.01450 0.00000 0.00237
|
|
44 16F-1 0.00000 0.00000 0.01975 0.00000 -0.04417
|
|
45 16F+2 0.00765 -0.10466 0.00000 0.02505 0.00000
|
|
46 16F-2 -0.01731 -0.01782 0.00000 -0.03360 0.00000
|
|
47 16F+3 0.00000 0.00000 0.01310 0.00000 0.03476
|
|
48 16F-3 0.00000 0.00000 0.02339 0.00000 0.02730
|
|
49 17F 0 0.40496 2.32479 0.00000 1.65317 0.00000
|
|
50 17F+1 0.00000 0.00000 0.36022 0.00000 0.49236
|
|
51 17F-1 0.00000 0.00000 -0.44923 0.00000 -1.15070
|
|
52 17F+2 0.04538 -2.09025 0.00000 1.64838 0.00000
|
|
53 17F-2 -0.21666 -0.09011 0.00000 -1.42691 0.00000
|
|
54 17F+3 0.00000 0.00000 0.63923 0.00000 1.80241
|
|
55 17F-3 0.00000 0.00000 0.62449 0.00000 1.31211
|
|
56 18F 0 0.25431 1.39200 0.00000 1.20340 0.00000
|
|
57 18F+1 0.00000 0.00000 0.59753 0.00000 0.18537
|
|
58 18F-1 0.00000 0.00000 -0.22564 0.00000 -1.05908
|
|
59 18F+2 0.10105 -1.29515 0.00000 1.13749 0.00000
|
|
60 18F-2 0.03104 -0.10450 0.00000 -1.13275 0.00000
|
|
61 18F+3 0.00000 0.00000 0.42401 0.00000 1.18846
|
|
62 18F-3 0.00000 0.00000 0.50093 0.00000 0.98986
|
|
63 19G 0 0.00000 0.00000 0.05150 0.00000 -0.05147
|
|
64 19G+1 0.08077 -0.10131 0.00000 0.51561 0.00000
|
|
65 19G-1 0.03638 0.42508 0.00000 0.08823 0.00000
|
|
66 19G+2 0.00000 0.00000 0.10446 0.00000 0.46807
|
|
67 19G-2 0.00000 0.00000 0.01561 0.00000 0.09225
|
|
68 19G+3 0.04193 0.07540 0.00000 0.30117 0.00000
|
|
69 19G-3 -0.01830 -0.48223 0.00000 -0.00612 0.00000
|
|
70 19G+4 0.00000 0.00000 -0.10096 0.00000 -0.38980
|
|
71 19G-4 0.00000 0.00000 -0.07166 0.00000 -0.09415
|
|
72 20G 0 0.00000 0.00000 0.06917 0.00000 -0.20750
|
|
73 20G+1 0.06559 -0.12307 0.00000 0.89961 0.00000
|
|
74 20G-1 0.06391 0.43571 0.00000 0.20455 0.00000
|
|
75 20G+2 0.00000 0.00000 0.21181 0.00000 0.77658
|
|
76 20G-2 0.00000 0.00000 0.20199 0.00000 0.13686
|
|
77 20G+3 0.02660 0.04241 0.00000 0.41475 0.00000
|
|
78 20G-3 -0.07066 -0.51654 0.00000 0.10499 0.00000
|
|
79 20G+4 0.00000 0.00000 -0.42842 0.00000 -0.51038
|
|
80 20G-4 0.00000 0.00000 -0.16236 0.00000 0.00093
|
|
81 21H 0 0.03154 0.02991 0.00000 0.11841 0.00000
|
|
82 21H+1 0.00000 0.00000 0.03727 0.00000 0.01313
|
|
83 21H-1 0.00000 0.00000 0.03123 0.00000 -0.02509
|
|
84 21H+2 0.00028 0.01041 0.00000 0.15236 0.00000
|
|
85 21H-2 -0.00004 0.00318 0.00000 0.02757 0.00000
|
|
86 21H+3 0.00000 0.00000 0.02067 0.00000 0.06179
|
|
87 21H-3 0.00000 0.00000 -0.00791 0.00000 0.02434
|
|
88 21H+4 0.00427 -0.07013 0.00000 0.13519 0.00000
|
|
89 21H-4 0.00007 -0.01424 0.00000 0.02136 0.00000
|
|
90 21H+5 0.00000 0.00000 0.08861 0.00000 0.21438
|
|
91 21H-5 0.00000 0.00000 0.06748 0.00000 0.04348
|
|
92 2 S 1S 0.00000 0.00000 0.00238 0.00000 -0.00062
|
|
93 2S 0.00000 0.00000 0.01717 0.00000 0.00741
|
|
94 3S 0.00000 0.00000 0.00109 0.00000 -0.03809
|
|
95 4S 0.00000 0.00000 -0.05065 0.00000 -0.12789
|
|
96 5S 0.00000 0.00000 -0.12130 0.00000 -0.29424
|
|
97 6S 0.00000 0.00000 0.76541 0.00000 0.93860
|
|
98 7S 0.00000 0.00000 -0.10433 0.00000 0.51140
|
|
99 8PX 0.00000 0.00000 -0.02165 0.00000 -0.00943
|
|
100 8PY 0.00000 0.00000 -0.01656 0.00000 0.01533
|
|
101 8PZ -0.08441 0.01467 0.00000 -0.00407 0.00000
|
|
102 9PX 0.00000 0.00000 -0.01194 0.00000 -0.02043
|
|
103 9PY 0.00000 0.00000 -0.00838 0.00000 0.01203
|
|
104 9PZ -0.06288 0.01216 0.00000 -0.00720 0.00000
|
|
105 10PX 0.00000 0.00000 0.12356 0.00000 -0.18434
|
|
106 10PY 0.00000 0.00000 0.15726 0.00000 -0.06218
|
|
107 10PZ 0.33705 -0.04095 0.00000 -0.05426 0.00000
|
|
108 11PX 0.00000 0.00000 -0.23704 0.00000 0.51067
|
|
109 11PY 0.00000 0.00000 -0.32506 0.00000 0.06542
|
|
110 11PZ -0.82992 0.10653 0.00000 0.17699 0.00000
|
|
111 12PX 0.00000 0.00000 0.51234 0.00000 0.61771
|
|
112 12PY 0.00000 0.00000 -1.71663 0.00000 0.96895
|
|
113 12PZ -0.90499 0.03824 0.00000 0.35719 0.00000
|
|
114 13PX 0.00000 0.00000 -0.06497 0.00000 0.17688
|
|
115 13PY 0.00000 0.00000 0.01849 0.00000 -0.01061
|
|
116 13PZ 0.11157 -0.01707 0.00000 0.00396 0.00000
|
|
117 14D 0 0.00000 0.00000 0.00763 0.00000 -0.36556
|
|
118 14D+1 -0.62146 0.10102 0.00000 0.04249 0.00000
|
|
119 14D-1 0.03442 -0.10200 0.00000 0.20190 0.00000
|
|
120 14D+2 0.00000 0.00000 0.34065 0.00000 0.22701
|
|
121 14D-2 0.00000 0.00000 -1.09192 0.00000 0.67255
|
|
122 15D 0 0.00000 0.00000 -0.12354 0.00000 -0.28116
|
|
123 15D+1 -1.55276 0.14942 0.00000 0.23233 0.00000
|
|
124 15D-1 0.27820 -0.00938 0.00000 -0.10280 0.00000
|
|
125 15D+2 0.00000 0.00000 -0.80361 0.00000 0.67303
|
|
126 15D-2 0.00000 0.00000 -1.47785 0.00000 0.27331
|
|
127 16D 0 0.00000 0.00000 0.05034 0.00000 0.08126
|
|
128 16D+1 0.42838 -0.03920 0.00000 -0.03161 0.00000
|
|
129 16D-1 -0.09443 0.00059 0.00000 0.09337 0.00000
|
|
130 16D+2 0.00000 0.00000 0.25400 0.00000 -0.17361
|
|
131 16D-2 0.00000 0.00000 0.40998 0.00000 0.00495
|
|
132 17D 0 0.00000 0.00000 -0.02138 0.00000 -0.02021
|
|
133 17D+1 -0.10376 0.00869 0.00000 -0.00220 0.00000
|
|
134 17D-1 0.02840 0.00014 0.00000 -0.03739 0.00000
|
|
135 17D+2 0.00000 0.00000 -0.05741 0.00000 0.03611
|
|
136 17D-2 0.00000 0.00000 -0.09993 0.00000 -0.01980
|
|
137 18F 0 0.25522 -0.05262 0.00000 -0.14058 0.00000
|
|
138 18F+1 0.00000 0.00000 -0.02785 0.00000 -0.12459
|
|
139 18F-1 0.00000 0.00000 0.20542 0.00000 -0.23512
|
|
140 18F+2 -0.26371 0.12533 0.00000 -0.03212 0.00000
|
|
141 18F-2 0.02249 -0.01826 0.00000 -0.11338 0.00000
|
|
142 18F+3 0.00000 0.00000 0.09851 0.00000 0.01389
|
|
143 18F-3 0.00000 0.00000 -0.50982 0.00000 0.36522
|
|
144 19F 0 0.66197 -0.09529 0.00000 -0.06736 0.00000
|
|
145 19F+1 0.00000 0.00000 0.09636 0.00000 -0.09166
|
|
146 19F-1 0.00000 0.00000 0.16623 0.00000 -0.15092
|
|
147 19F+2 -0.93820 0.10816 0.00000 0.29440 0.00000
|
|
148 19F-2 0.26665 -0.03327 0.00000 -0.13491 0.00000
|
|
149 19F+3 0.00000 0.00000 -0.59275 0.00000 0.60482
|
|
150 19F-3 0.00000 0.00000 -1.29800 0.00000 0.46192
|
|
151 20F 0 -0.01134 0.01592 0.00000 -0.02218 0.00000
|
|
152 20F+1 0.00000 0.00000 0.00329 0.00000 -0.03763
|
|
153 20F-1 0.00000 0.00000 0.00250 0.00000 0.03738
|
|
154 20F+2 0.04730 -0.01581 0.00000 -0.05929 0.00000
|
|
155 20F-2 -0.02677 0.00630 0.00000 0.04761 0.00000
|
|
156 20F+3 0.00000 0.00000 0.05311 0.00000 -0.08916
|
|
157 20F-3 0.00000 0.00000 0.10345 0.00000 -0.06849
|
|
158 21G 0 0.00000 0.00000 -0.01644 0.00000 0.10281
|
|
159 21G+1 0.45729 -0.06395 0.00000 -0.03616 0.00000
|
|
160 21G-1 -0.05685 -0.05195 0.00000 0.02671 0.00000
|
|
161 21G+2 0.00000 0.00000 0.11363 0.00000 -0.00410
|
|
162 21G-2 0.00000 0.00000 0.24585 0.00000 -0.09714
|
|
163 21G+3 -0.38762 0.08215 0.00000 0.19591 0.00000
|
|
164 21G-3 0.12580 0.07242 0.00000 0.02765 0.00000
|
|
165 21G+4 0.00000 0.00000 -0.11006 0.00000 0.05686
|
|
166 21G-4 0.00000 0.00000 -0.63325 0.00000 0.34986
|
|
167 22G 0 0.00000 0.00000 -0.00084 0.00000 0.00603
|
|
168 22G+1 0.15370 -0.00754 0.00000 -0.04977 0.00000
|
|
169 22G-1 -0.02876 0.02144 0.00000 0.01529 0.00000
|
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170 22G+2 0.00000 0.00000 0.05574 0.00000 -0.06460
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171 22G-2 0.00000 0.00000 0.05742 0.00000 0.00897
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172 22G+3 -0.12884 0.00358 0.00000 -0.00737 0.00000
|
|
173 22G-3 0.04943 -0.03343 0.00000 -0.00962 0.00000
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174 22G+4 0.00000 0.00000 -0.13261 0.00000 0.08877
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175 22G-4 0.00000 0.00000 -0.14490 0.00000 0.01711
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176 23H 0 -0.10560 0.03164 0.00000 0.01568 0.00000
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177 23H+1 0.00000 0.00000 -0.03070 0.00000 0.01829
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178 23H-1 0.00000 0.00000 -0.02770 0.00000 0.02563
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|
179 23H+2 0.15419 -0.01032 0.00000 -0.04258 0.00000
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|
180 23H-2 -0.03627 -0.00026 0.00000 0.02207 0.00000
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|
181 23H+3 0.00000 0.00000 0.05406 0.00000 -0.04710
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182 23H-3 0.00000 0.00000 0.11951 0.00000 -0.02666
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183 23H+4 -0.10604 -0.00797 0.00000 0.00982 0.00000
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184 23H-4 0.05144 0.00846 0.00000 0.01356 0.00000
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185 23H+5 0.00000 0.00000 -0.09252 0.00000 0.04179
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186 23H-5 0.00000 0.00000 -0.13982 0.00000 0.01452
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187 3 H 1S 0.00000 0.00000 -0.02452 0.00000 -0.00158
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188 2S 0.00000 0.00000 0.00917 0.00000 0.17574
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189 3S 0.00000 0.00000 -0.13053 0.00000 -1.07813
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190 4S 0.00000 0.00000 -0.81042 0.00000 -0.29850
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191 5S 0.00000 0.00000 0.12397 0.00000 -0.14450
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192 6PX 0.00000 0.00000 0.30842 0.00000 -0.13449
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193 6PY 0.00000 0.00000 1.71218 0.00000 -0.68118
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194 6PZ 1.81813 -0.15517 0.00000 -0.28395 0.00000
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195 7PX 0.00000 0.00000 -0.40311 0.00000 0.13008
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196 7PY 0.00000 0.00000 -2.43066 0.00000 0.98583
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|
197 7PZ -2.47317 0.22413 0.00000 0.40782 0.00000
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|
198 8PX 0.00000 0.00000 0.27841 0.00000 0.44864
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|
199 8PY 0.00000 0.00000 2.93463 0.00000 -1.32244
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|
200 8PZ 2.77901 -0.29654 0.00000 -0.51290 0.00000
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|
201 9PX 0.00000 0.00000 0.51609 0.00000 0.02194
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|
202 9PY 0.00000 0.00000 0.92591 0.00000 -0.55968
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203 9PZ 0.57019 -0.11621 0.00000 -0.16188 0.00000
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204 10D 0 0.00000 0.00000 0.02665 0.00000 -0.04160
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205 10D+1 0.27184 -0.02800 0.00000 -0.03671 0.00000
|
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206 10D-1 -0.03377 0.02907 0.00000 -0.01011 0.00000
|
|
207 10D+2 0.00000 0.00000 0.01197 0.00000 0.04760
|
|
208 10D-2 0.00000 0.00000 0.25392 0.00000 -0.08980
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209 11D 0 0.00000 0.00000 -0.05553 0.00000 0.11653
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|
210 11D+1 -0.42553 0.04324 0.00000 0.06011 0.00000
|
|
211 11D-1 0.05040 -0.04666 0.00000 0.01798 0.00000
|
|
212 11D+2 0.00000 0.00000 0.04202 0.00000 -0.16245
|
|
213 11D-2 0.00000 0.00000 -0.40266 0.00000 0.15629
|
|
214 12D 0 0.00000 0.00000 -0.07281 0.00000 0.03436
|
|
215 12D+1 -1.39465 0.15884 0.00000 0.30540 0.00000
|
|
216 12D-1 0.19260 -0.01647 0.00000 -0.08290 0.00000
|
|
217 12D+2 0.00000 0.00000 -0.61016 0.00000 0.15109
|
|
218 12D-2 0.00000 0.00000 -1.56929 0.00000 0.69232
|
|
219 13F 0 0.11770 0.00390 0.00000 -0.02693 0.00000
|
|
220 13F+1 0.00000 0.00000 0.00399 0.00000 -0.02199
|
|
221 13F-1 0.00000 0.00000 0.04590 0.00000 -0.00899
|
|
222 13F+2 -0.14924 0.02744 0.00000 0.02022 0.00000
|
|
223 13F-2 0.04347 -0.00964 0.00000 -0.01998 0.00000
|
|
224 13F+3 0.00000 0.00000 -0.12046 0.00000 0.05888
|
|
225 13F-3 0.00000 0.00000 -0.14774 0.00000 0.06592
|
|
226 14F 0 -0.48605 0.02996 0.00000 0.09523 0.00000
|
|
227 14F+1 0.00000 0.00000 0.01392 0.00000 -0.00550
|
|
228 14F-1 0.00000 0.00000 -0.21525 0.00000 0.06298
|
|
229 14F+2 0.60750 -0.07141 0.00000 -0.10828 0.00000
|
|
230 14F-2 -0.16478 0.03564 0.00000 0.05242 0.00000
|
|
231 14F+3 0.00000 0.00000 0.37472 0.00000 -0.09792
|
|
232 14F-3 0.00000 0.00000 0.69077 0.00000 -0.28876
|
|
233 15G 0 0.00000 0.00000 0.00494 0.00000 -0.00057
|
|
234 15G+1 0.19486 -0.01830 0.00000 -0.02833 0.00000
|
|
235 15G-1 -0.02442 -0.00143 0.00000 0.00599 0.00000
|
|
236 15G+2 0.00000 0.00000 0.01975 0.00000 -0.00588
|
|
237 15G-2 0.00000 0.00000 0.09192 0.00000 -0.02930
|
|
238 15G+3 -0.15836 0.00981 0.00000 0.02890 0.00000
|
|
239 15G-3 0.06300 -0.01025 0.00000 -0.01216 0.00000
|
|
240 15G+4 0.00000 0.00000 -0.12019 0.00000 0.03251
|
|
241 15G-4 0.00000 0.00000 -0.17972 0.00000 0.06634
|
|
242 4 H 1S 0.00000 0.00000 0.03858 0.00000 -0.02023
|
|
243 2S 0.00000 0.00000 0.03163 0.00000 -0.09595
|
|
244 3S 0.00000 0.00000 -2.41160 0.00000 2.74818
|
|
245 4S 0.00000 0.00000 -0.54601 0.00000 1.16267
|
|
246 5S 0.00000 0.00000 -0.03593 0.00000 0.07942
|
|
247 6PX 0.00000 0.00000 -0.14466 0.00000 -0.27580
|
|
248 6PY 0.00000 0.00000 -0.36877 0.00000 -0.96005
|
|
249 6PZ -0.00163 0.79427 0.00000 -0.32755 0.00000
|
|
250 7PX 0.00000 0.00000 0.23964 0.00000 0.45504
|
|
251 7PY 0.00000 0.00000 0.64327 0.00000 1.67522
|
|
252 7PZ 0.00581 -1.33561 0.00000 0.56229 0.00000
|
|
253 8PX 0.00000 0.00000 -1.65902 0.00000 0.03277
|
|
254 8PY 0.00000 0.00000 -1.82185 0.00000 -4.99145
|
|
255 8PZ 0.00323 3.50657 0.00000 -1.60690 0.00000
|
|
256 9PX 0.00000 0.00000 -0.50418 0.00000 0.18402
|
|
257 9PY 0.00000 0.00000 -0.47435 0.00000 -1.30481
|
|
258 9PZ 0.16004 0.83321 0.00000 -0.35371 0.00000
|
|
259 10D 0 0.00000 0.00000 -0.00957 0.00000 0.03334
|
|
260 10D+1 0.01647 -0.50662 0.00000 0.23518 0.00000
|
|
261 10D-1 -0.00839 0.16225 0.00000 -0.08765 0.00000
|
|
262 10D+2 0.00000 0.00000 0.18552 0.00000 0.34398
|
|
263 10D-2 0.00000 0.00000 0.25281 0.00000 0.59691
|
|
264 11D 0 0.00000 0.00000 0.07841 0.00000 -0.14415
|
|
265 11D+1 -0.03208 1.35062 0.00000 -0.59964 0.00000
|
|
266 11D-1 0.00845 -0.42154 0.00000 0.20521 0.00000
|
|
267 11D+2 0.00000 0.00000 -0.59498 0.00000 -0.81604
|
|
268 11D-2 0.00000 0.00000 -0.65103 0.00000 -1.67097
|
|
269 12D 0 0.00000 0.00000 0.15205 0.00000 -0.04944
|
|
270 12D+1 0.06928 1.52521 0.00000 -0.75647 0.00000
|
|
271 12D-1 0.05937 -0.59002 0.00000 0.13235 0.00000
|
|
272 12D+2 0.00000 0.00000 -0.60280 0.00000 -1.07822
|
|
273 12D-2 0.00000 0.00000 -0.87725 0.00000 -1.93735
|
|
274 13F 0 0.01641 -0.10091 0.00000 0.08079 0.00000
|
|
275 13F+1 0.00000 0.00000 0.01577 0.00000 -0.01338
|
|
276 13F-1 0.00000 0.00000 0.01977 0.00000 0.06771
|
|
277 13F+2 -0.01323 0.12983 0.00000 0.01627 0.00000
|
|
278 13F-2 -0.01974 -0.09874 0.00000 0.00287 0.00000
|
|
279 13F+3 0.00000 0.00000 -0.09201 0.00000 -0.12407
|
|
280 13F-3 0.00000 0.00000 -0.02014 0.00000 -0.19768
|
|
281 14F 0 -0.01731 -0.65755 0.00000 0.18038 0.00000
|
|
282 14F+1 0.00000 0.00000 0.07068 0.00000 0.11394
|
|
283 14F-1 0.00000 0.00000 0.14351 0.00000 0.33568
|
|
284 14F+2 0.01927 0.64670 0.00000 -0.37910 0.00000
|
|
285 14F-2 0.04794 -0.47325 0.00000 0.21008 0.00000
|
|
286 14F+3 0.00000 0.00000 -0.40694 0.00000 -0.96219
|
|
287 14F-3 0.00000 0.00000 -0.41694 0.00000 -0.78393
|
|
288 15G 0 0.00000 0.00000 -0.00043 0.00000 0.00645
|
|
289 15G+1 0.00441 -0.40626 0.00000 0.11082 0.00000
|
|
290 15G-1 -0.00368 0.13067 0.00000 -0.04417 0.00000
|
|
291 15G+2 0.00000 0.00000 0.06021 0.00000 0.13062
|
|
292 15G-2 0.00000 0.00000 0.08760 0.00000 0.21327
|
|
293 15G+3 -0.00006 0.23683 0.00000 -0.10801 0.00000
|
|
294 15G-3 0.01082 -0.28974 0.00000 0.10482 0.00000
|
|
295 15G+4 0.00000 0.00000 -0.22689 0.00000 -0.53165
|
|
296 15G-4 0.00000 0.00000 -0.10615 0.00000 -0.26248
|
|
297 5 H 1S -0.00599 0.00179 0.00189 0.01031 0.00714
|
|
298 2S 0.01316 -0.04459 0.04905 0.02499 -0.01190
|
|
299 3S -0.06606 0.11403 -1.26219 -1.33131 -0.26607
|
|
300 4S 0.10652 0.03839 0.14028 -0.99810 -1.26261
|
|
301 5S 0.05481 0.00883 -0.03261 0.00334 -0.01805
|
|
302 6PX 0.08654 0.65512 -0.14428 0.02540 -0.40021
|
|
303 6PY 0.09041 -0.06218 0.20629 0.85200 0.39144
|
|
304 6PZ -0.10787 -0.30506 -0.00880 -0.40371 0.02772
|
|
305 7PX -0.13349 -1.08758 0.21317 -0.06842 0.70388
|
|
306 7PY -0.15894 0.10955 -0.33860 -1.45981 -0.67315
|
|
307 7PZ 0.16205 0.54746 0.00692 0.68681 -0.05590
|
|
308 8PX 0.29594 2.85494 -0.29037 0.64240 -1.93601
|
|
309 8PY 0.41353 -0.26306 0.99208 4.28777 1.94131
|
|
310 8PZ -0.39458 -1.52090 0.31247 -1.34914 0.49041
|
|
311 9PX -0.03499 0.67755 0.01420 0.22667 -0.36975
|
|
312 9PY 0.05890 -0.04942 0.06617 1.13796 0.75597
|
|
313 9PZ -0.11577 -0.40375 -0.06166 -0.14280 0.43493
|
|
314 10D 0 -0.08522 -0.31543 -0.00436 -0.38956 0.05811
|
|
315 10D+1 0.02377 0.24755 -0.04041 -0.06354 -0.22613
|
|
316 10D-1 0.04747 -0.12261 0.11097 0.37084 0.22702
|
|
317 10D+2 -0.01354 0.19604 -0.08374 -0.18690 -0.21994
|
|
318 10D-2 0.04742 0.14660 0.01313 0.28480 -0.01229
|
|
319 11D 0 0.22384 0.84166 0.00957 1.01370 -0.17380
|
|
320 11D+1 -0.04852 -0.67347 0.08562 0.12739 0.57606
|
|
321 11D-1 -0.10482 0.30968 -0.29527 -1.04629 -0.62332
|
|
322 11D+2 0.02633 -0.52572 0.20203 0.49766 0.58956
|
|
323 11D-2 -0.12000 -0.39716 -0.07932 -0.76630 0.00744
|
|
324 12D 0 0.21624 0.94227 0.03464 1.20427 -0.23432
|
|
325 12D+1 0.00480 -0.77171 0.15971 0.27939 0.72984
|
|
326 12D-1 -0.06429 0.42923 -0.21286 -1.25912 -0.84758
|
|
327 12D+2 -0.03192 -0.57967 0.13232 0.56944 0.77455
|
|
328 12D-2 -0.17688 -0.52313 -0.11563 -0.90597 -0.10161
|
|
329 13F 0 -0.02728 -0.11767 -0.02789 -0.13152 0.01723
|
|
330 13F+1 -0.00775 0.02460 0.00532 -0.04793 -0.01803
|
|
331 13F-1 -0.00231 -0.07869 0.00937 0.07475 0.04794
|
|
332 13F+2 -0.00987 0.06723 -0.04245 -0.05610 -0.10057
|
|
333 13F-2 0.01927 0.05720 0.03003 0.10086 0.01908
|
|
334 13F+3 -0.00391 0.02224 0.01482 -0.07503 0.00737
|
|
335 13F-3 -0.01080 0.06820 0.01503 0.00801 -0.00122
|
|
336 14F 0 -0.14621 -0.59189 -0.01288 -0.73965 0.10262
|
|
337 14F+1 -0.05449 0.09471 -0.10449 -0.44820 -0.29812
|
|
338 14F-1 -0.00321 -0.38967 0.10734 0.21820 0.37252
|
|
339 14F+2 -0.00494 0.51184 -0.10777 -0.51444 -0.52470
|
|
340 14F-2 0.09776 0.25633 0.06928 0.53503 0.02936
|
|
341 14F+3 -0.03984 0.01517 -0.10537 -0.28160 -0.24423
|
|
342 14F-3 0.07505 0.24446 -0.02716 0.08966 -0.19329
|
|
343 15G 0 0.06109 0.25151 0.01587 0.28231 -0.03674
|
|
344 15G+1 0.05611 0.13037 0.04791 0.29349 0.06006
|
|
345 15G-1 0.03121 0.26107 -0.01349 0.07171 -0.12598
|
|
346 15G+2 0.01917 -0.25611 0.06223 0.26534 0.24608
|
|
347 15G-2 -0.03554 -0.04199 -0.04073 -0.17848 -0.04258
|
|
348 15G+3 0.03471 -0.06869 0.05846 0.24907 0.16216
|
|
349 15G-3 -0.03835 -0.21330 0.00311 -0.04653 0.12224
|
|
350 15G+4 0.02083 0.03970 0.02267 0.06267 0.01735
|
|
351 15G-4 -0.00599 -0.06735 0.01649 0.03781 0.06961
|
|
352 6 H 1S 0.00599 -0.00179 0.00189 -0.01031 0.00714
|
|
353 2S -0.01316 0.04459 0.04905 -0.02499 -0.01190
|
|
354 3S 0.06606 -0.11403 -1.26219 1.33131 -0.26607
|
|
355 4S -0.10652 -0.03839 0.14028 0.99810 -1.26261
|
|
356 5S -0.05481 -0.00883 -0.03261 -0.00334 -0.01805
|
|
357 6PX -0.08654 -0.65512 -0.14428 -0.02540 -0.40021
|
|
358 6PY -0.09041 0.06218 0.20629 -0.85200 0.39144
|
|
359 6PZ -0.10787 -0.30506 0.00880 -0.40371 -0.02772
|
|
360 7PX 0.13349 1.08758 0.21317 0.06842 0.70388
|
|
361 7PY 0.15894 -0.10955 -0.33860 1.45981 -0.67315
|
|
362 7PZ 0.16205 0.54746 -0.00692 0.68681 0.05590
|
|
363 8PX -0.29594 -2.85494 -0.29037 -0.64240 -1.93601
|
|
364 8PY -0.41353 0.26306 0.99208 -4.28777 1.94131
|
|
365 8PZ -0.39458 -1.52090 -0.31247 -1.34914 -0.49041
|
|
366 9PX 0.03499 -0.67755 0.01420 -0.22667 -0.36975
|
|
367 9PY -0.05890 0.04942 0.06617 -1.13796 0.75597
|
|
368 9PZ -0.11577 -0.40375 0.06166 -0.14280 -0.43493
|
|
369 10D 0 0.08522 0.31543 -0.00436 0.38956 0.05811
|
|
370 10D+1 0.02377 0.24755 0.04041 -0.06354 0.22613
|
|
371 10D-1 0.04747 -0.12261 -0.11097 0.37084 -0.22702
|
|
372 10D+2 0.01354 -0.19604 -0.08374 0.18690 -0.21994
|
|
373 10D-2 -0.04742 -0.14660 0.01313 -0.28480 -0.01229
|
|
374 11D 0 -0.22384 -0.84166 0.00957 -1.01370 -0.17380
|
|
375 11D+1 -0.04852 -0.67347 -0.08562 0.12739 -0.57606
|
|
376 11D-1 -0.10482 0.30968 0.29527 -1.04629 0.62332
|
|
377 11D+2 -0.02633 0.52572 0.20203 -0.49766 0.58956
|
|
378 11D-2 0.12000 0.39716 -0.07932 0.76630 0.00744
|
|
379 12D 0 -0.21624 -0.94227 0.03464 -1.20427 -0.23432
|
|
380 12D+1 0.00480 -0.77171 -0.15971 0.27939 -0.72984
|
|
381 12D-1 -0.06429 0.42923 0.21286 -1.25912 0.84758
|
|
382 12D+2 0.03192 0.57967 0.13232 -0.56944 0.77455
|
|
383 12D-2 0.17688 0.52313 -0.11563 0.90597 -0.10161
|
|
384 13F 0 -0.02728 -0.11767 0.02789 -0.13152 -0.01723
|
|
385 13F+1 0.00775 -0.02460 0.00532 0.04793 -0.01803
|
|
386 13F-1 0.00231 0.07869 0.00937 -0.07475 0.04794
|
|
387 13F+2 -0.00987 0.06723 0.04245 -0.05610 0.10057
|
|
388 13F-2 0.01927 0.05720 -0.03003 0.10086 -0.01908
|
|
389 13F+3 0.00391 -0.02224 0.01482 0.07503 0.00737
|
|
390 13F-3 0.01080 -0.06820 0.01503 -0.00801 -0.00122
|
|
391 14F 0 -0.14621 -0.59189 0.01288 -0.73965 -0.10262
|
|
392 14F+1 0.05449 -0.09471 -0.10449 0.44820 -0.29812
|
|
393 14F-1 0.00321 0.38967 0.10734 -0.21820 0.37252
|
|
394 14F+2 -0.00494 0.51184 0.10777 -0.51444 0.52470
|
|
395 14F-2 0.09776 0.25633 -0.06928 0.53503 -0.02936
|
|
396 14F+3 0.03984 -0.01517 -0.10537 0.28160 -0.24423
|
|
397 14F-3 -0.07505 -0.24446 -0.02716 -0.08966 -0.19329
|
|
398 15G 0 -0.06109 -0.25151 0.01587 -0.28231 -0.03674
|
|
399 15G+1 0.05611 0.13037 -0.04791 0.29349 -0.06006
|
|
400 15G-1 0.03121 0.26107 0.01349 0.07171 0.12598
|
|
401 15G+2 -0.01917 0.25611 0.06223 -0.26534 0.24608
|
|
402 15G-2 0.03554 0.04199 -0.04073 0.17848 -0.04258
|
|
403 15G+3 0.03471 -0.06869 -0.05846 0.24907 -0.16216
|
|
404 15G-3 -0.03835 -0.21330 -0.00311 -0.04653 -0.12224
|
|
405 15G+4 -0.02083 -0.03970 0.02267 -0.06267 0.01735
|
|
406 15G-4 0.00599 0.06735 0.01649 -0.03781 0.06961
|
|
386 387 388 389 390
|
|
V V V V V
|
|
Eigenvalues -- 17.80019 17.93548 17.97244 18.23026 18.31713
|
|
1 1 C 1S 0.00871 0.00000 -0.00025 -0.02915 0.00000
|
|
2 2S -0.02074 0.00000 0.00374 -0.16315 0.00000
|
|
3 3S 0.02651 0.00000 0.02359 -1.57728 0.00000
|
|
4 4S -1.61626 0.00000 0.12861 4.10595 0.00000
|
|
5 5S 2.48210 0.00000 -0.13665 5.63922 0.00000
|
|
6 6S -0.30621 0.00000 0.30556 0.97146 0.00000
|
|
7 7PX 0.02068 0.00000 -0.15788 0.02364 0.00000
|
|
8 7PY -0.13437 0.00000 -0.01182 -0.33411 0.00000
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268 11D-2 -1.34496 0.00000 0.79090 -1.16671 0.00000
|
|
269 12D 0 -0.35876 0.00000 -0.01117 0.37143 0.00000
|
|
270 12D+1 0.00000 -3.01832 0.00000 0.00000 -0.70612
|
|
271 12D-1 0.00000 0.43670 0.00000 0.00000 -0.13747
|
|
272 12D+2 -1.02412 0.00000 0.98374 -0.59336 0.00000
|
|
273 12D-2 -1.68875 0.00000 0.82247 -0.33056 0.00000
|
|
274 13F 0 0.00000 0.21669 0.00000 0.00000 -0.26645
|
|
275 13F+1 0.06846 0.00000 -0.10125 0.12154 0.00000
|
|
276 13F-1 0.02697 0.00000 -0.02922 0.14355 0.00000
|
|
277 13F+2 0.00000 -0.20439 0.00000 0.00000 0.26496
|
|
278 13F-2 0.00000 0.17992 0.00000 0.00000 -0.19331
|
|
279 13F+3 -0.10781 0.00000 0.18890 -0.44047 0.00000
|
|
280 13F-3 -0.05196 0.00000 0.07051 -0.28209 0.00000
|
|
281 14F 0 0.00000 0.96348 0.00000 0.00000 0.16326
|
|
282 14F+1 -0.14185 0.00000 0.08153 0.21819 0.00000
|
|
283 14F-1 0.24229 0.00000 -0.12303 0.03709 0.00000
|
|
284 14F+2 0.00000 -1.19822 0.00000 0.00000 -0.29541
|
|
285 14F-2 0.00000 0.47622 0.00000 0.00000 -0.18658
|
|
286 14F+3 -0.74557 0.00000 0.53190 -0.46903 0.00000
|
|
287 14F-3 -0.73693 0.00000 0.43169 -0.28325 0.00000
|
|
288 15G 0 0.04768 0.00000 0.00640 -0.07502 0.00000
|
|
289 15G+1 0.00000 0.50688 0.00000 0.00000 -0.08704
|
|
290 15G-1 0.00000 -0.13365 0.00000 0.00000 0.10691
|
|
291 15G+2 0.03682 0.00000 -0.04199 0.20165 0.00000
|
|
292 15G-2 0.10104 0.00000 -0.06236 0.10201 0.00000
|
|
293 15G+3 0.00000 -0.35732 0.00000 0.00000 -0.03257
|
|
294 15G-3 0.00000 0.31264 0.00000 0.00000 -0.20791
|
|
295 15G+4 -0.36235 0.00000 0.33114 -0.40683 0.00000
|
|
296 15G-4 -0.16978 0.00000 0.11507 -0.13293 0.00000
|
|
297 5 H 1S 0.00614 0.06771 0.04220 -0.00789 0.04572
|
|
298 2S -0.04353 -0.07366 -0.08257 0.47298 -0.37140
|
|
299 3S -0.77434 -3.25099 -1.47355 -3.51564 0.51270
|
|
300 4S 0.03660 -1.97647 -1.30679 -0.72455 0.40293
|
|
301 5S 0.06563 0.00932 -0.04415 -0.11224 0.17145
|
|
302 6PX 0.15538 0.38351 -0.60540 -0.18236 0.59118
|
|
303 6PY -0.77654 -0.09024 -0.08917 0.61903 -0.67759
|
|
304 6PZ 0.19183 -0.11941 0.38732 -0.08066 -0.04347
|
|
305 7PX -0.29801 -0.81419 1.24915 0.12543 -0.80568
|
|
306 7PY 1.43974 0.31476 0.26016 -0.81886 0.98081
|
|
307 7PZ -0.34863 0.25904 -0.79244 -0.10391 0.25755
|
|
308 8PX 1.23573 3.99635 -4.08957 1.46480 -0.01556
|
|
309 8PY -4.34104 -1.01345 -0.92297 -0.78842 0.27840
|
|
310 8PZ 1.50892 0.63169 3.74245 2.23034 -0.68835
|
|
311 9PX 0.31850 1.55273 -1.32280 0.33140 0.25346
|
|
312 9PY -1.26163 -0.36643 -0.28379 -0.09664 -0.35898
|
|
313 9PZ 0.38104 0.55819 1.63565 0.60224 -0.22195
|
|
314 10D 0 0.26269 -0.18651 0.63204 0.23091 -0.21014
|
|
315 10D+1 0.20586 0.32726 -0.35355 0.21817 -0.16387
|
|
316 10D-1 -0.47739 -0.25680 -0.03435 -0.11437 0.10879
|
|
317 10D+2 0.31959 0.34258 -0.21464 0.17196 0.00815
|
|
318 10D-2 -0.24400 0.03058 -0.28628 -0.02586 0.01952
|
|
319 11D 0 -0.72855 0.35819 -1.83380 -0.83075 0.40589
|
|
320 11D+1 -0.60241 -1.11846 0.86423 -0.88158 0.70629
|
|
321 11D-1 1.22078 0.65926 0.02237 0.66756 -0.69223
|
|
322 11D+2 -0.82867 -0.95381 0.56967 -0.72284 0.39615
|
|
323 11D-2 0.61599 -0.16239 0.84230 0.22172 -0.11585
|
|
324 12D 0 -0.84707 0.48044 -2.34815 -0.49159 0.34395
|
|
325 12D+1 -0.45367 -1.25801 1.13948 -0.61452 0.02743
|
|
326 12D-1 1.51122 0.58592 0.03483 0.24059 0.09907
|
|
327 12D+2 -1.19911 -1.17225 0.77733 -0.22322 -0.21374
|
|
328 12D-2 0.70367 -0.13109 0.73839 0.10759 0.09729
|
|
329 13F 0 0.06419 -0.02400 0.22662 0.16197 0.00316
|
|
330 13F+1 0.11655 0.16144 0.06914 0.26110 -0.19883
|
|
331 13F-1 -0.03592 -0.08718 0.09163 -0.10334 0.18660
|
|
332 13F+2 0.10072 0.19319 -0.05874 0.28452 -0.33173
|
|
333 13F-2 -0.04724 0.03602 -0.12230 -0.09168 0.05873
|
|
334 13F+3 0.03675 0.03725 0.03962 0.10794 -0.10409
|
|
335 13F-3 0.00950 0.06272 -0.07766 0.05685 -0.08856
|
|
336 14F 0 0.51279 -0.34347 1.24905 0.22740 -0.22100
|
|
337 14F+1 0.29243 0.22463 -0.03392 0.36637 -0.29911
|
|
338 14F-1 -0.45992 -0.39941 0.26429 -0.11388 0.07739
|
|
339 14F+2 0.74054 0.73732 -0.44064 0.31001 -0.04747
|
|
340 14F-2 -0.44507 0.02615 -0.45716 -0.03787 -0.03079
|
|
341 14F+3 0.44183 0.31908 -0.04077 0.12404 0.05636
|
|
342 14F-3 0.00870 0.18021 -0.32198 -0.00154 -0.01066
|
|
343 15G 0 -0.18603 0.09380 -0.42851 -0.07494 0.01955
|
|
344 15G+1 -0.16450 -0.03348 -0.26022 -0.25990 0.21608
|
|
345 15G-1 0.02568 0.15527 -0.26847 0.00311 -0.06466
|
|
346 15G+2 -0.29661 -0.34839 0.12751 -0.26889 0.23425
|
|
347 15G-2 0.11169 -0.00793 0.09284 0.00875 -0.01394
|
|
348 15G+3 -0.27580 -0.20605 -0.00755 -0.15666 0.07673
|
|
349 15G-3 -0.02997 -0.16002 0.21903 -0.06763 0.11117
|
|
350 15G+4 -0.07529 -0.04825 -0.05777 -0.01101 -0.04025
|
|
351 15G-4 -0.05306 -0.07994 0.05705 -0.03695 0.04189
|
|
352 6 H 1S 0.00614 -0.06771 0.04220 -0.00789 -0.04572
|
|
353 2S -0.04353 0.07366 -0.08257 0.47298 0.37140
|
|
354 3S -0.77434 3.25099 -1.47355 -3.51564 -0.51270
|
|
355 4S 0.03660 1.97647 -1.30679 -0.72455 -0.40293
|
|
356 5S 0.06563 -0.00932 -0.04415 -0.11224 -0.17145
|
|
357 6PX 0.15538 -0.38351 -0.60540 -0.18236 -0.59118
|
|
358 6PY -0.77654 0.09024 -0.08917 0.61903 0.67759
|
|
359 6PZ -0.19183 -0.11941 -0.38732 0.08066 -0.04347
|
|
360 7PX -0.29801 0.81419 1.24915 0.12543 0.80568
|
|
361 7PY 1.43974 -0.31476 0.26016 -0.81886 -0.98081
|
|
362 7PZ 0.34863 0.25904 0.79244 0.10391 0.25755
|
|
363 8PX 1.23573 -3.99635 -4.08957 1.46480 0.01556
|
|
364 8PY -4.34104 1.01345 -0.92297 -0.78842 -0.27840
|
|
365 8PZ -1.50892 0.63169 -3.74245 -2.23034 -0.68835
|
|
366 9PX 0.31850 -1.55273 -1.32280 0.33140 -0.25346
|
|
367 9PY -1.26163 0.36643 -0.28379 -0.09664 0.35898
|
|
368 9PZ -0.38104 0.55819 -1.63565 -0.60224 -0.22195
|
|
369 10D 0 0.26269 0.18651 0.63204 0.23091 0.21014
|
|
370 10D+1 -0.20586 0.32726 0.35355 -0.21817 -0.16387
|
|
371 10D-1 0.47739 -0.25680 0.03435 0.11437 0.10879
|
|
372 10D+2 0.31959 -0.34258 -0.21464 0.17196 -0.00815
|
|
373 10D-2 -0.24400 -0.03058 -0.28628 -0.02586 -0.01952
|
|
374 11D 0 -0.72855 -0.35819 -1.83380 -0.83075 -0.40589
|
|
375 11D+1 0.60241 -1.11846 -0.86423 0.88158 0.70629
|
|
376 11D-1 -1.22078 0.65926 -0.02237 -0.66756 -0.69223
|
|
377 11D+2 -0.82867 0.95381 0.56967 -0.72284 -0.39615
|
|
378 11D-2 0.61599 0.16239 0.84230 0.22172 0.11585
|
|
379 12D 0 -0.84707 -0.48044 -2.34815 -0.49159 -0.34395
|
|
380 12D+1 0.45367 -1.25801 -1.13948 0.61452 0.02743
|
|
381 12D-1 -1.51122 0.58592 -0.03483 -0.24059 0.09907
|
|
382 12D+2 -1.19911 1.17225 0.77733 -0.22322 0.21374
|
|
383 12D-2 0.70367 0.13109 0.73839 0.10759 -0.09729
|
|
384 13F 0 -0.06419 -0.02400 -0.22662 -0.16197 0.00316
|
|
385 13F+1 0.11655 -0.16144 0.06914 0.26110 0.19883
|
|
386 13F-1 -0.03592 0.08718 0.09163 -0.10334 -0.18660
|
|
387 13F+2 -0.10072 0.19319 0.05874 -0.28452 -0.33173
|
|
388 13F-2 0.04724 0.03602 0.12230 0.09168 0.05873
|
|
389 13F+3 0.03675 -0.03725 0.03962 0.10794 0.10409
|
|
390 13F-3 0.00950 -0.06272 -0.07766 0.05685 0.08856
|
|
391 14F 0 -0.51279 -0.34347 -1.24905 -0.22740 -0.22100
|
|
392 14F+1 0.29243 -0.22463 -0.03392 0.36637 0.29911
|
|
393 14F-1 -0.45992 0.39941 0.26429 -0.11388 -0.07739
|
|
394 14F+2 -0.74054 0.73732 0.44064 -0.31001 -0.04747
|
|
395 14F-2 0.44507 0.02615 0.45716 0.03787 -0.03079
|
|
396 14F+3 0.44183 -0.31908 -0.04077 0.12404 -0.05636
|
|
397 14F-3 0.00870 -0.18021 -0.32198 -0.00154 0.01066
|
|
398 15G 0 -0.18603 -0.09380 -0.42851 -0.07494 -0.01955
|
|
399 15G+1 0.16450 -0.03348 0.26022 0.25990 0.21608
|
|
400 15G-1 -0.02568 0.15527 0.26847 -0.00311 -0.06466
|
|
401 15G+2 -0.29661 0.34839 0.12751 -0.26889 -0.23425
|
|
402 15G-2 0.11169 0.00793 0.09284 0.00875 0.01394
|
|
403 15G+3 0.27580 -0.20605 0.00755 0.15666 0.07673
|
|
404 15G-3 0.02997 -0.16002 -0.21903 0.06763 0.11117
|
|
405 15G+4 -0.07529 0.04825 -0.05777 -0.01101 0.04025
|
|
406 15G-4 -0.05306 0.07994 0.05705 -0.03695 -0.04189
|
|
391 392 393 394 395
|
|
V V V V V
|
|
Eigenvalues -- 18.35744 18.42972 18.49408 18.61724 18.77467
|
|
1 1 C 1S 0.00588 0.00000 0.00039 0.00000 0.02544
|
|
2 2S 0.02879 0.00000 0.00009 0.00000 0.18063
|
|
3 3S 0.30459 0.00000 -0.00442 0.00000 1.74914
|
|
4 4S -1.10741 0.00000 -0.16700 0.00000 -4.39372
|
|
5 5S -0.43062 0.00000 0.65663 0.00000 -7.46158
|
|
6 6S -0.47484 0.00000 -0.42790 0.00000 -1.39765
|
|
7 7PX 0.18414 0.00000 -0.49564 0.00000 0.10695
|
|
8 7PY 0.06920 0.00000 -0.02686 0.00000 0.15701
|
|
9 7PZ 0.00000 -0.46996 0.00000 0.01985 0.00000
|
|
10 8PX -1.05843 0.00000 0.57109 0.00000 -0.23158
|
|
11 8PY -0.10012 0.00000 -0.06604 0.00000 -0.53186
|
|
12 8PZ 0.00000 0.46247 0.00000 0.12067 0.00000
|
|
13 9PX 1.87421 0.00000 10.21751 0.00000 -2.55417
|
|
14 9PY -0.83489 0.00000 1.30006 0.00000 -2.23881
|
|
15 9PZ 0.00000 10.51366 0.00000 -1.06971 0.00000
|
|
16 10PX 0.39529 0.00000 2.21867 0.00000 -1.30386
|
|
17 10PY 0.02681 0.00000 0.75659 0.00000 0.57050
|
|
18 10PZ 0.00000 2.40811 0.00000 -0.34316 0.00000
|
|
19 11PX -0.27491 0.00000 0.30936 0.00000 0.00762
|
|
20 11PY -0.03597 0.00000 0.08593 0.00000 0.14280
|
|
21 11PZ 0.00000 0.34726 0.00000 -0.04539 0.00000
|
|
22 12D 0 -0.47165 0.00000 0.30276 0.00000 0.06402
|
|
23 12D+1 0.00000 0.25162 0.00000 -0.03294 0.00000
|
|
24 12D-1 0.00000 0.20573 0.00000 -0.00631 0.00000
|
|
25 12D+2 0.10022 0.00000 -0.16313 0.00000 0.07429
|
|
26 12D-2 0.53254 0.00000 0.05405 0.00000 0.02316
|
|
27 13D 0 0.50503 0.00000 -0.00740 0.00000 -0.48405
|
|
28 13D+1 0.00000 0.08374 0.00000 0.05251 0.00000
|
|
29 13D-1 0.00000 0.06596 0.00000 0.00710 0.00000
|
|
30 13D+2 -0.02314 0.00000 -0.08132 0.00000 -0.29481
|
|
31 13D-2 -1.17893 0.00000 0.29654 0.00000 -0.19962
|
|
32 14D 0 0.39558 0.00000 0.81178 0.00000 -0.74717
|
|
33 14D+1 0.00000 1.02949 0.00000 -0.18444 0.00000
|
|
34 14D-1 0.00000 0.64050 0.00000 -0.00501 0.00000
|
|
35 14D+2 -0.03123 0.00000 -0.54457 0.00000 -0.47763
|
|
36 14D-2 -0.38461 0.00000 0.45901 0.00000 -0.69292
|
|
37 15D 0 -0.66342 0.00000 0.41820 0.00000 -0.07190
|
|
38 15D+1 0.00000 0.29940 0.00000 -0.10935 0.00000
|
|
39 15D-1 0.00000 0.56882 0.00000 0.03855 0.00000
|
|
40 15D+2 0.28298 0.00000 -0.21900 0.00000 0.32539
|
|
41 15D-2 0.48723 0.00000 0.51757 0.00000 -0.46432
|
|
42 16F 0 0.00000 -0.00791 0.00000 -0.11781 0.00000
|
|
43 16F+1 -0.05687 0.00000 -0.01133 0.00000 -0.26171
|
|
44 16F-1 -0.03974 0.00000 0.17015 0.00000 -0.18635
|
|
45 16F+2 0.00000 -0.02622 0.00000 0.09660 0.00000
|
|
46 16F-2 0.00000 0.19975 0.00000 0.01182 0.00000
|
|
47 16F+3 -0.03032 0.00000 0.02135 0.00000 0.09856
|
|
48 16F-3 -0.02872 0.00000 -0.13754 0.00000 -0.08677
|
|
49 17F 0 0.00000 1.50268 0.00000 2.64133 0.00000
|
|
50 17F+1 0.48550 0.00000 0.57019 0.00000 -0.33448
|
|
51 17F-1 -0.70971 0.00000 -1.21220 0.00000 0.01377
|
|
52 17F+2 0.00000 1.60659 0.00000 -2.29839 0.00000
|
|
53 17F-2 0.00000 -1.48750 0.00000 -0.16117 0.00000
|
|
54 17F+3 1.19257 0.00000 1.53476 0.00000 -0.15880
|
|
55 17F-3 0.66742 0.00000 1.34858 0.00000 -0.20007
|
|
56 18F 0 0.00000 0.27488 0.00000 0.37348 0.00000
|
|
57 18F+1 0.01513 0.00000 0.21190 0.00000 -0.33333
|
|
58 18F-1 -0.12979 0.00000 0.25713 0.00000 -0.13665
|
|
59 18F+2 0.00000 0.34493 0.00000 -0.40498 0.00000
|
|
60 18F-2 0.00000 0.20604 0.00000 -0.01594 0.00000
|
|
61 18F+3 -0.25450 0.00000 0.49382 0.00000 -0.09381
|
|
62 18F-3 0.12236 0.00000 0.06481 0.00000 -0.09544
|
|
63 19G 0 0.39355 0.00000 -0.43501 0.00000 0.01735
|
|
64 19G+1 0.00000 0.86446 0.00000 -0.15770 0.00000
|
|
65 19G-1 0.00000 0.16185 0.00000 0.55261 0.00000
|
|
66 19G+2 0.28624 0.00000 0.69463 0.00000 -0.07368
|
|
67 19G-2 -0.08209 0.00000 0.15034 0.00000 -0.07403
|
|
68 19G+3 0.00000 0.10998 0.00000 0.12529 0.00000
|
|
69 19G-3 0.00000 0.03261 0.00000 -0.64883 0.00000
|
|
70 19G+4 -0.24591 0.00000 -0.35687 0.00000 -0.03202
|
|
71 19G-4 -0.16142 0.00000 0.02221 0.00000 0.00914
|
|
72 20G 0 0.70792 0.00000 -0.80234 0.00000 0.10521
|
|
73 20G+1 0.00000 1.56840 0.00000 -0.28721 0.00000
|
|
74 20G-1 0.00000 0.40858 0.00000 0.97927 0.00000
|
|
75 20G+2 0.50678 0.00000 1.26703 0.00000 -0.16411
|
|
76 20G-2 0.06634 0.00000 0.33273 0.00000 0.03235
|
|
77 20G+3 0.00000 0.17808 0.00000 0.26647 0.00000
|
|
78 20G-3 0.00000 0.14191 0.00000 -1.14084 0.00000
|
|
79 20G+4 -0.54157 0.00000 -0.67580 0.00000 0.22144
|
|
80 20G-4 0.07541 0.00000 0.07050 0.00000 -0.00305
|
|
81 21H 0 0.00000 0.30187 0.00000 -0.23328 0.00000
|
|
82 21H+1 0.52551 0.00000 -0.12596 0.00000 -0.01162
|
|
83 21H-1 0.40076 0.00000 -0.43640 0.00000 0.03772
|
|
84 21H+2 0.00000 0.11499 0.00000 -0.13516 0.00000
|
|
85 21H-2 0.00000 0.37183 0.00000 -0.09400 0.00000
|
|
86 21H+3 0.06383 0.00000 0.13369 0.00000 -0.05279
|
|
87 21H-3 -0.14180 0.00000 0.44842 0.00000 -0.03528
|
|
88 21H+4 0.00000 0.35317 0.00000 0.28109 0.00000
|
|
89 21H-4 0.00000 -0.24032 0.00000 0.13277 0.00000
|
|
90 21H+5 0.32947 0.00000 0.29930 0.00000 -0.00098
|
|
91 21H-5 -0.00229 0.00000 0.08445 0.00000 -0.02109
|
|
92 2 S 1S -0.00045 0.00000 -0.00025 0.00000 -0.00765
|
|
93 2S -0.00336 0.00000 0.00958 0.00000 0.05850
|
|
94 3S -0.00161 0.00000 -0.04804 0.00000 -0.51326
|
|
95 4S -0.01031 0.00000 -0.24149 0.00000 -2.72054
|
|
96 5S 0.05960 0.00000 -0.07102 0.00000 1.64042
|
|
97 6S 0.00211 0.00000 1.24641 0.00000 9.70753
|
|
98 7S 0.01316 0.00000 0.38836 0.00000 2.38813
|
|
99 8PX -0.00748 0.00000 -0.00126 0.00000 -0.06932
|
|
100 8PY -0.00134 0.00000 0.00534 0.00000 -0.02444
|
|
101 8PZ 0.00000 -0.02276 0.00000 -0.00585 0.00000
|
|
102 9PX -0.00684 0.00000 -0.00615 0.00000 -0.11102
|
|
103 9PY -0.00092 0.00000 0.00542 0.00000 -0.01629
|
|
104 9PZ 0.00000 -0.02286 0.00000 -0.00526 0.00000
|
|
105 10PX -0.00473 0.00000 -0.17516 0.00000 -1.61102
|
|
106 10PY 0.01329 0.00000 0.01538 0.00000 0.28760
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|
|
360 7PX 0.82763 -0.11007 -1.04642 -0.76851 0.17206
|
|
361 7PY 0.86493 -0.54491 0.17724 -0.05760 0.08403
|
|
362 7PZ 0.61987 -0.83703 -0.16028 -0.41465 -0.38002
|
|
363 8PX -0.91110 -2.11983 -0.58619 -1.38467 -0.93714
|
|
364 8PY 0.41895 -2.89319 1.40718 0.22830 -1.14316
|
|
365 8PZ 0.24598 2.02987 -2.36693 -0.94928 2.56615
|
|
366 9PX -0.47160 -0.82144 0.12536 -0.14611 -0.29858
|
|
367 9PY -0.27808 -0.67754 0.24581 0.11883 -0.38199
|
|
368 9PZ -0.08009 1.06770 -0.88534 -0.13716 0.96217
|
|
369 10D 0 -0.02172 0.24527 0.18377 0.32965 -0.18379
|
|
370 10D+1 0.25158 0.14601 0.11582 0.25389 0.14423
|
|
371 10D-1 -0.05369 0.36520 -0.24861 -0.04698 0.15547
|
|
372 10D+2 -0.15036 0.13075 -0.22901 -0.21046 -0.00187
|
|
373 10D-2 0.08140 -0.24782 -0.01410 -0.09149 -0.07643
|
|
374 11D 0 0.62743 -0.91631 -1.00340 -1.20267 0.53541
|
|
375 11D+1 -0.41325 -0.60844 -0.62313 -0.88262 -0.41133
|
|
376 11D-1 0.40707 -1.31196 0.92078 0.19403 -0.52204
|
|
377 11D+2 0.36322 -0.38558 0.93831 0.75186 -0.04732
|
|
378 11D-2 -0.53581 0.97010 0.15676 0.30640 0.23438
|
|
379 12D 0 -0.24705 0.02560 -0.60191 -0.31368 0.51077
|
|
380 12D+1 -0.46895 -0.65798 0.03637 -0.25214 -0.34744
|
|
381 12D-1 -0.09962 -0.80930 0.55953 0.10348 -0.40842
|
|
382 12D+2 0.22395 -0.05116 0.22132 0.25839 -0.05713
|
|
383 12D-2 -0.02026 0.59121 0.03995 0.04048 0.14212
|
|
384 13F 0 0.36143 -0.34228 -0.28988 -0.33249 0.01915
|
|
385 13F+1 -0.12727 -0.03371 -0.01295 -0.03208 -0.07207
|
|
386 13F-1 -0.01533 -0.12648 0.24503 0.08279 -0.10021
|
|
387 13F+2 0.04923 -0.10613 0.30392 0.22484 -0.02085
|
|
388 13F-2 -0.21432 0.25996 0.05163 0.06186 0.08455
|
|
389 13F+3 -0.09892 0.12775 -0.12462 -0.07340 0.02996
|
|
390 13F-3 0.06575 -0.09102 -0.10813 -0.05994 -0.00604
|
|
391 14F 0 -0.13328 -0.43593 -0.24114 -0.44045 0.12378
|
|
392 14F+1 -0.27057 -0.08462 0.05082 -0.07635 -0.17381
|
|
393 14F-1 -0.05481 -0.26041 0.35363 0.11327 -0.18703
|
|
394 14F+2 0.26044 -0.13385 0.37168 0.28380 -0.02613
|
|
395 14F-2 -0.07613 0.49343 -0.05866 0.08828 0.15034
|
|
396 14F+3 -0.13385 0.19510 -0.05372 -0.15248 0.01890
|
|
397 14F-3 0.05046 -0.03916 -0.14176 -0.13137 -0.01907
|
|
398 15G 0 0.03489 -0.33079 -0.11024 -0.28672 -0.00727
|
|
399 15G+1 -0.19378 0.04078 0.16125 0.12042 -0.05891
|
|
400 15G-1 -0.14756 0.00683 0.21783 0.09212 -0.06575
|
|
401 15G+2 0.12134 -0.07614 0.23844 0.16176 -0.01496
|
|
402 15G-2 -0.06021 0.26897 -0.08226 0.02654 0.11164
|
|
403 15G+3 -0.15107 0.19211 -0.13481 -0.14219 0.03736
|
|
404 15G-3 0.07923 -0.09248 -0.12927 -0.07232 -0.02657
|
|
405 15G+4 0.05123 -0.09650 0.00824 0.03001 -0.00866
|
|
406 15G-4 0.01186 -0.03650 0.07144 0.07775 -0.00427
|
|
396 397 398 399 400
|
|
V V V V V
|
|
Eigenvalues -- 18.91318 18.95409 19.08546 20.77519 20.84104
|
|
1 1 C 1S 0.00000 0.02272 -0.09547 -0.12610 0.00706
|
|
2 2S 0.00000 0.17631 -0.79160 0.17792 -0.00657
|
|
3 3S 0.00000 1.72785 -7.81951 0.61139 0.00250
|
|
4 4S 0.00000 -5.01147 22.83763 5.78345 -0.55381
|
|
5 5S 0.00000 -4.76569 22.53487 -0.14724 0.27696
|
|
6 6S 0.00000 -1.10985 4.92460 2.46162 -0.36347
|
|
7 7PX 0.00000 -1.35282 -0.21725 -0.01123 -0.08064
|
|
8 7PY 0.00000 0.07604 -0.73251 0.04574 -0.00426
|
|
9 7PZ 1.38992 0.00000 0.00000 0.00000 0.00000
|
|
10 8PX 0.00000 5.49485 0.87412 -0.22625 -2.80594
|
|
11 8PY 0.00000 -0.27027 3.05510 1.10477 -0.25365
|
|
12 8PZ -5.70921 0.00000 0.00000 0.00000 0.00000
|
|
13 9PX 0.00000 10.04580 1.61180 0.58025 6.69223
|
|
14 9PY 0.00000 -0.97781 6.12908 -1.13721 0.45139
|
|
15 9PZ -9.79776 0.00000 0.00000 0.00000 0.00000
|
|
16 10PX 0.00000 6.26004 0.91730 0.19160 4.38625
|
|
17 10PY 0.00000 -0.15115 5.43635 0.25039 0.06794
|
|
18 10PZ -5.84585 0.00000 0.00000 0.00000 0.00000
|
|
19 11PX 0.00000 0.31745 0.13386 0.04202 -0.08711
|
|
20 11PY 0.00000 -0.05518 0.35134 -0.07392 0.02821
|
|
21 11PZ -0.34678 0.00000 0.00000 0.00000 0.00000
|
|
22 12D 0 0.00000 -0.48575 -0.34063 0.11868 -0.48734
|
|
23 12D+1 0.56382 0.00000 0.00000 0.00000 0.00000
|
|
24 12D-1 0.30856 0.00000 0.00000 0.00000 0.00000
|
|
25 12D+2 0.00000 0.40387 -0.29658 0.24337 0.32147
|
|
26 12D-2 0.00000 -0.21570 -0.09393 0.00381 -0.40571
|
|
27 13D 0 0.00000 2.80820 1.89020 -0.04064 0.27714
|
|
28 13D+1 -3.33825 0.00000 0.00000 0.00000 0.00000
|
|
29 13D-1 -2.45689 0.00000 0.00000 0.00000 0.00000
|
|
30 13D+2 0.00000 -2.45476 1.60386 -0.10589 -0.20995
|
|
31 13D-2 0.00000 1.90250 0.65134 0.01175 0.30056
|
|
32 14D 0 0.00000 2.56627 2.23335 -0.34493 3.41762
|
|
33 14D+1 -2.81214 0.00000 0.00000 0.00000 0.00000
|
|
34 14D-1 -2.50622 0.00000 0.00000 0.00000 0.00000
|
|
35 14D+2 0.00000 -2.42548 2.38096 -0.88004 -2.23720
|
|
36 14D-2 0.00000 1.76287 0.63066 0.07459 2.30291
|
|
37 15D 0 0.00000 1.07049 1.01092 -0.00558 1.53686
|
|
38 15D+1 -1.00428 0.00000 0.00000 0.00000 0.00000
|
|
39 15D-1 -1.46348 0.00000 0.00000 0.00000 0.00000
|
|
40 15D+2 0.00000 -0.97662 1.19872 -0.08707 -0.92737
|
|
41 15D-2 0.00000 1.14807 0.38866 0.14430 0.07259
|
|
42 16F 0 -0.24586 0.00000 0.00000 0.00000 0.00000
|
|
43 16F+1 0.00000 -0.23455 1.26013 0.14582 -0.02657
|
|
44 16F-1 0.00000 0.48248 0.70927 0.05423 -0.10307
|
|
45 16F+2 -0.15105 0.00000 0.00000 0.00000 0.00000
|
|
46 16F-2 -0.78826 0.00000 0.00000 0.00000 0.00000
|
|
47 16F+3 0.00000 0.50043 -0.34598 -0.05089 -0.08595
|
|
48 16F-3 0.00000 -0.52960 0.48333 0.06388 0.05208
|
|
49 17F 0 0.18858 0.00000 0.00000 0.00000 0.00000
|
|
50 17F+1 0.00000 -0.21749 0.77322 -1.80802 0.25310
|
|
51 17F-1 0.00000 0.38218 0.32233 -0.78934 1.22586
|
|
52 17F+2 0.23423 0.00000 0.00000 0.00000 0.00000
|
|
53 17F-2 -0.56506 0.00000 0.00000 0.00000 0.00000
|
|
54 17F+3 0.00000 0.00969 -0.30732 0.68440 0.99009
|
|
55 17F-3 0.00000 -0.42186 0.07106 -0.87887 -0.67038
|
|
56 18F 0 -0.10266 0.00000 0.00000 0.00000 0.00000
|
|
57 18F+1 0.00000 0.02409 0.07056 -0.98491 0.14997
|
|
58 18F-1 0.00000 -0.02330 -0.02804 -0.40607 0.69930
|
|
59 18F+2 -0.03457 0.00000 0.00000 0.00000 0.00000
|
|
60 18F-2 0.00829 0.00000 0.00000 0.00000 0.00000
|
|
61 18F+3 0.00000 0.07698 -0.03558 0.40516 0.38248
|
|
62 18F-3 0.00000 0.02001 0.07519 -0.32631 -0.41095
|
|
63 19G 0 0.00000 0.01909 0.10058 -0.01998 -0.31812
|
|
64 19G+1 0.02838 0.00000 0.00000 0.00000 0.00000
|
|
65 19G-1 -0.12222 0.00000 0.00000 0.00000 0.00000
|
|
66 19G+2 0.00000 -0.02979 0.08069 0.11765 0.38103
|
|
67 19G-2 0.00000 -0.03064 0.32474 -0.52206 0.22776
|
|
68 19G+3 0.02775 0.00000 0.00000 0.00000 0.00000
|
|
69 19G-3 -0.10353 0.00000 0.00000 0.00000 0.00000
|
|
70 19G+4 0.00000 -0.07264 0.17501 -0.03426 -0.23743
|
|
71 19G-4 0.00000 0.16503 -0.03841 0.23217 0.34224
|
|
72 20G 0 0.00000 0.51858 0.12168 -0.05407 -0.77478
|
|
73 20G+1 0.53507 0.00000 0.00000 0.00000 0.00000
|
|
74 20G-1 0.23884 0.00000 0.00000 0.00000 0.00000
|
|
75 20G+2 0.00000 -0.29235 0.03108 0.24010 0.86308
|
|
76 20G-2 0.00000 0.02830 -0.76872 -1.08164 0.51922
|
|
77 20G+3 -0.30841 0.00000 0.00000 0.00000 0.00000
|
|
78 20G-3 0.05732 0.00000 0.00000 0.00000 0.00000
|
|
79 20G+4 0.00000 0.08887 -0.02688 -0.08428 -0.52139
|
|
80 20G-4 0.00000 -0.24162 0.26741 0.46301 0.76906
|
|
81 21H 0 0.03570 0.00000 0.00000 0.00000 0.00000
|
|
82 21H+1 0.00000 0.02308 0.10282 0.07271 0.39422
|
|
83 21H-1 0.00000 0.16218 0.01207 -0.18222 -0.07868
|
|
84 21H+2 -0.05501 0.00000 0.00000 0.00000 0.00000
|
|
85 21H-2 0.27259 0.00000 0.00000 0.00000 0.00000
|
|
86 21H+3 0.00000 0.01328 0.19700 0.13843 -0.33905
|
|
87 21H-3 0.00000 -0.24711 -0.04515 -0.10002 0.60421
|
|
88 21H+4 0.05324 0.00000 0.00000 0.00000 0.00000
|
|
89 21H-4 -0.10196 0.00000 0.00000 0.00000 0.00000
|
|
90 21H+5 0.00000 -0.00798 -0.07477 0.01476 0.08705
|
|
91 21H-5 0.00000 0.09778 -0.05975 -0.25860 -0.38711
|
|
92 2 S 1S 0.00000 0.00058 -0.00301 -0.00102 -0.00096
|
|
93 2S 0.00000 0.00362 0.01340 -0.00380 -0.00864
|
|
94 3S 0.00000 -0.00059 -0.14909 -0.01452 0.01214
|
|
95 4S 0.00000 -0.03111 -0.69240 -0.05893 0.09182
|
|
96 5S 0.00000 0.11190 -0.38851 0.04219 -0.00863
|
|
97 6S 0.00000 -0.14856 4.49820 0.27181 -0.40977
|
|
98 7S 0.00000 0.05184 1.52561 -0.47106 -0.13838
|
|
99 8PX 0.00000 -0.01606 0.00169 0.00333 -0.00268
|
|
100 8PY 0.00000 0.00359 0.02397 -0.01136 0.01226
|
|
101 8PZ 0.01109 0.00000 0.00000 0.00000 0.00000
|
|
102 9PX 0.00000 -0.01802 -0.01159 0.00232 0.00086
|
|
103 9PY 0.00000 0.00485 0.02015 -0.01221 0.01334
|
|
104 9PZ 0.01276 0.00000 0.00000 0.00000 0.00000
|
|
105 10PX 0.00000 -0.03730 -0.47699 -0.05141 0.08722
|
|
106 10PY 0.00000 0.02911 -0.06906 0.01420 -0.02586
|
|
107 10PZ 0.01562 0.00000 0.00000 0.00000 0.00000
|
|
108 11PX 0.00000 0.19449 2.11932 0.21778 -0.24681
|
|
109 11PY 0.00000 -0.10596 -0.12319 -0.02147 0.16452
|
|
110 11PZ -0.03224 0.00000 0.00000 0.00000 0.00000
|
|
111 12PX 0.00000 -0.12976 1.00179 0.01373 -0.72858
|
|
112 12PY 0.00000 -0.03772 2.40606 0.16339 -0.31585
|
|
113 12PZ -0.12948 0.00000 0.00000 0.00000 0.00000
|
|
114 13PX 0.00000 0.04248 0.08803 0.01769 -0.07164
|
|
115 13PY 0.00000 -0.03666 0.18420 -0.12637 -0.01151
|
|
116 13PZ 0.01865 0.00000 0.00000 0.00000 0.00000
|
|
117 14D 0 0.00000 -0.04716 -0.65108 -0.00090 -0.03782
|
|
118 14D+1 0.05636 0.00000 0.00000 0.00000 0.00000
|
|
119 14D-1 -0.09624 0.00000 0.00000 0.00000 0.00000
|
|
120 14D+2 0.00000 0.08628 -0.46662 0.00178 0.20014
|
|
121 14D-2 0.00000 -0.11043 0.22988 0.23628 -0.62583
|
|
122 15D 0 0.00000 -0.00365 -0.81413 -0.06293 0.15946
|
|
123 15D+1 -0.00682 0.00000 0.00000 0.00000 0.00000
|
|
124 15D-1 -0.01063 0.00000 0.00000 0.00000 0.00000
|
|
125 15D+2 0.00000 0.14718 0.76917 0.14283 -0.26423
|
|
126 15D-2 0.00000 0.01933 -0.16407 -0.03013 -0.05083
|
|
127 16D 0 0.00000 0.00587 0.02079 -0.00539 -0.03437
|
|
128 16D+1 -0.01256 0.00000 0.00000 0.00000 0.00000
|
|
129 16D-1 -0.02711 0.00000 0.00000 0.00000 0.00000
|
|
130 16D+2 0.00000 -0.00791 0.09504 -0.01885 0.01047
|
|
131 16D-2 0.00000 0.03004 -0.02434 0.00121 0.04270
|
|
132 17D 0 0.00000 -0.00439 0.01917 0.00311 0.00954
|
|
133 17D+1 0.00670 0.00000 0.00000 0.00000 0.00000
|
|
134 17D-1 0.01475 0.00000 0.00000 0.00000 0.00000
|
|
135 17D+2 0.00000 -0.00137 -0.05565 0.00109 0.00610
|
|
136 17D-2 0.00000 -0.01671 0.01016 -0.00021 -0.00962
|
|
137 18F 0 -0.00833 0.00000 0.00000 0.00000 0.00000
|
|
138 18F+1 0.00000 0.00703 0.01256 0.03527 0.02712
|
|
139 18F-1 0.00000 -0.05955 -0.18579 -0.02736 -0.01772
|
|
140 18F+2 0.01876 0.00000 0.00000 0.00000 0.00000
|
|
141 18F-2 0.06119 0.00000 0.00000 0.00000 0.00000
|
|
142 18F+3 0.00000 0.14508 0.01978 -0.06316 0.27902
|
|
143 18F-3 0.00000 0.03824 -0.00159 0.13933 0.04749
|
|
144 19F 0 0.01940 0.00000 0.00000 0.00000 0.00000
|
|
145 19F+1 0.00000 0.02323 -0.33027 -0.06143 0.10322
|
|
146 19F-1 0.00000 -0.01082 -0.11004 0.03839 0.04031
|
|
147 19F+2 -0.03028 0.00000 0.00000 0.00000 0.00000
|
|
148 19F-2 0.02628 0.00000 0.00000 0.00000 0.00000
|
|
149 19F+3 0.00000 0.07325 0.43775 0.08189 -0.01006
|
|
150 19F-3 0.00000 0.11344 -0.15837 0.04051 -0.03598
|
|
151 20F 0 0.00968 0.00000 0.00000 0.00000 0.00000
|
|
152 20F+1 0.00000 -0.02399 -0.07278 0.00152 0.00258
|
|
153 20F-1 0.00000 0.01802 0.01539 -0.00864 -0.01759
|
|
154 20F+2 0.02372 0.00000 0.00000 0.00000 0.00000
|
|
155 20F-2 -0.01293 0.00000 0.00000 0.00000 0.00000
|
|
156 20F+3 0.00000 -0.02866 0.07536 -0.00101 -0.01687
|
|
157 20F-3 0.00000 -0.02323 -0.06518 -0.01966 0.00316
|
|
158 21G 0 0.00000 0.02015 0.06860 -0.01074 -0.01165
|
|
159 21G+1 -0.03574 0.00000 0.00000 0.00000 0.00000
|
|
160 21G-1 -0.02920 0.00000 0.00000 0.00000 0.00000
|
|
161 21G+2 0.00000 0.03884 -0.00596 -0.04121 0.00038
|
|
162 21G-2 0.00000 0.02244 -0.04743 -0.01985 0.04426
|
|
163 21G+3 -0.05375 0.00000 0.00000 0.00000 0.00000
|
|
164 21G-3 -0.03132 0.00000 0.00000 0.00000 0.00000
|
|
165 21G+4 0.00000 -0.02835 0.10424 -0.03525 -0.00992
|
|
166 21G-4 0.00000 0.12828 0.12040 0.04718 0.08065
|
|
167 22G 0 0.00000 -0.00782 0.04235 0.00376 -0.00783
|
|
168 22G+1 0.01672 0.00000 0.00000 0.00000 0.00000
|
|
169 22G-1 0.01520 0.00000 0.00000 0.00000 0.00000
|
|
170 22G+2 0.00000 -0.01827 -0.04884 -0.00640 0.01472
|
|
171 22G-2 0.00000 -0.00853 0.01043 0.00031 0.00803
|
|
172 22G+3 0.01136 0.00000 0.00000 0.00000 0.00000
|
|
173 22G-3 0.01410 0.00000 0.00000 0.00000 0.00000
|
|
174 22G+4 0.00000 0.00223 0.09628 0.01904 -0.01267
|
|
175 22G-4 0.00000 -0.02546 -0.04089 -0.00472 0.01994
|
|
176 23H 0 0.00466 0.00000 0.00000 0.00000 0.00000
|
|
177 23H+1 0.00000 -0.01229 0.01574 0.01445 -0.00837
|
|
178 23H-1 0.00000 0.00528 0.00978 -0.00717 0.00081
|
|
179 23H+2 0.00771 0.00000 0.00000 0.00000 0.00000
|
|
180 23H-2 -0.01777 0.00000 0.00000 0.00000 0.00000
|
|
181 23H+3 0.00000 -0.01033 0.02151 0.01710 -0.01757
|
|
182 23H-3 0.00000 0.00588 -0.01962 -0.02052 -0.00197
|
|
183 23H+4 0.01528 0.00000 0.00000 0.00000 0.00000
|
|
184 23H-4 -0.00484 0.00000 0.00000 0.00000 0.00000
|
|
185 23H+5 0.00000 -0.01696 -0.02496 -0.01451 -0.04085
|
|
186 23H-5 0.00000 -0.00577 0.03757 0.01197 0.00519
|
|
187 3 H 1S 0.00000 -0.02473 -0.20269 -0.02210 0.01828
|
|
188 2S 0.00000 0.11125 1.00800 0.12739 -0.12775
|
|
189 3S 0.00000 -0.26725 -2.68855 -0.30782 0.36491
|
|
190 4S 0.00000 0.11124 -1.19818 0.17002 0.14686
|
|
191 5S 0.00000 -0.08807 -0.03925 -0.06098 0.06561
|
|
192 6PX 0.00000 0.03908 0.42448 0.03097 -0.03168
|
|
193 6PY 0.00000 -0.02194 -0.12069 -0.01972 0.02318
|
|
194 6PZ 0.01699 0.00000 0.00000 0.00000 0.00000
|
|
195 7PX 0.00000 -0.07870 -0.91735 -0.08627 0.09071
|
|
196 7PY 0.00000 0.04691 0.25015 0.05176 -0.05454
|
|
197 7PZ -0.02713 0.00000 0.00000 0.00000 0.00000
|
|
198 8PX 0.00000 0.13330 2.14742 0.23851 -0.32404
|
|
199 8PY 0.00000 -0.14270 -0.56391 -0.14561 0.11338
|
|
200 8PZ 0.03380 0.00000 0.00000 0.00000 0.00000
|
|
201 9PX 0.00000 -0.02162 0.77015 -0.06716 -0.14464
|
|
202 9PY 0.00000 0.05967 -0.35478 -0.13726 0.11626
|
|
203 9PZ -0.01771 0.00000 0.00000 0.00000 0.00000
|
|
204 10D 0 0.00000 -0.02153 -0.12088 -0.02370 0.01305
|
|
205 10D+1 -0.00241 0.00000 0.00000 0.00000 0.00000
|
|
206 10D-1 0.00269 0.00000 0.00000 0.00000 0.00000
|
|
207 10D+2 0.00000 -0.00667 0.16108 0.01210 -0.01263
|
|
208 10D-2 0.00000 -0.01482 -0.06627 -0.01337 0.01098
|
|
209 11D 0 0.00000 0.04437 0.23294 0.04790 -0.03149
|
|
210 11D+1 0.00625 0.00000 0.00000 0.00000 0.00000
|
|
211 11D-1 -0.00267 0.00000 0.00000 0.00000 0.00000
|
|
212 11D+2 0.00000 0.01947 -0.31625 -0.02790 0.04156
|
|
213 11D-2 0.00000 0.03029 0.12736 0.03148 -0.01920
|
|
214 12D 0 0.00000 -0.03093 0.39123 0.03108 -0.08147
|
|
215 12D+1 -0.02881 0.00000 0.00000 0.00000 0.00000
|
|
216 12D-1 -0.00505 0.00000 0.00000 0.00000 0.00000
|
|
217 12D+2 0.00000 -0.08036 -0.60730 -0.02881 0.10212
|
|
218 12D-2 0.00000 0.05001 0.35482 0.06147 -0.09196
|
|
219 13F 0 0.00467 0.00000 0.00000 0.00000 0.00000
|
|
220 13F+1 0.00000 -0.00217 0.01594 0.00094 -0.00330
|
|
221 13F-1 0.00000 0.00462 -0.00360 0.00368 0.00050
|
|
222 13F+2 -0.00490 0.00000 0.00000 0.00000 0.00000
|
|
223 13F-2 0.00942 0.00000 0.00000 0.00000 0.00000
|
|
224 13F+3 0.00000 -0.00355 -0.02286 -0.00840 -0.00733
|
|
225 13F-3 0.00000 0.01901 0.01834 -0.00222 -0.00868
|
|
226 14F 0 -0.00762 0.00000 0.00000 0.00000 0.00000
|
|
227 14F+1 0.00000 -0.00391 -0.19882 -0.02409 0.03182
|
|
228 14F-1 0.00000 -0.00894 0.04427 0.00228 -0.01057
|
|
229 14F+2 0.01633 0.00000 0.00000 0.00000 0.00000
|
|
230 14F-2 -0.01078 0.00000 0.00000 0.00000 0.00000
|
|
231 14F+3 0.00000 0.01404 0.19902 0.01687 -0.01669
|
|
232 14F-3 0.00000 -0.04318 -0.14261 -0.00958 0.04394
|
|
233 15G 0 0.00000 0.00081 -0.03523 -0.00524 0.00360
|
|
234 15G+1 0.00236 0.00000 0.00000 0.00000 0.00000
|
|
235 15G-1 0.00070 0.00000 0.00000 0.00000 0.00000
|
|
236 15G+2 0.00000 0.00222 0.04246 0.00267 -0.00360
|
|
237 15G-2 0.00000 0.00574 -0.01775 -0.00174 0.00527
|
|
238 15G+3 -0.00232 0.00000 0.00000 0.00000 0.00000
|
|
239 15G-3 -0.00153 0.00000 0.00000 0.00000 0.00000
|
|
240 15G+4 0.00000 0.00038 -0.03647 0.00122 0.00564
|
|
241 15G-4 0.00000 0.00197 0.02956 0.00024 -0.00637
|
|
242 4 H 1S 0.00000 0.28322 -0.16167 -0.92173 -1.20658
|
|
243 2S 0.00000 -4.80281 2.67833 3.56103 4.60620
|
|
244 3S 0.00000 17.30728 -9.20327 -0.39525 3.53130
|
|
245 4S 0.00000 8.77895 -4.56955 -1.89456 2.16271
|
|
246 5S 0.00000 0.12384 -0.20567 -0.01681 -0.22148
|
|
247 6PX 0.00000 -0.22650 -0.01403 -1.14896 -1.34461
|
|
248 6PY 0.00000 0.05847 -0.17578 0.23675 0.41758
|
|
249 6PZ 0.26333 0.00000 0.00000 0.00000 0.00000
|
|
250 7PX 0.00000 -1.62961 1.02669 2.86529 3.60324
|
|
251 7PY 0.00000 0.45202 -0.02321 -0.62393 -1.07960
|
|
252 7PZ -0.41609 0.00000 0.00000 0.00000 0.00000
|
|
253 8PX 0.00000 11.19137 -6.06886 -1.80763 -0.41417
|
|
254 8PY 0.00000 -3.17933 1.99368 0.48907 -0.17797
|
|
255 8PZ -0.21894 0.00000 0.00000 0.00000 0.00000
|
|
256 9PX 0.00000 5.03654 -2.73871 -1.16530 -0.08866
|
|
257 9PY 0.00000 -1.33103 0.78839 0.42946 -0.31147
|
|
258 9PZ 0.30681 0.00000 0.00000 0.00000 0.00000
|
|
259 10D 0 0.00000 0.69154 -0.32600 -0.19145 -0.32404
|
|
260 10D+1 0.05020 0.00000 0.00000 0.00000 0.00000
|
|
261 10D-1 -0.06875 0.00000 0.00000 0.00000 0.00000
|
|
262 10D+2 0.00000 -1.06791 0.47560 0.36106 0.49088
|
|
263 10D-2 0.00000 0.61342 -0.36472 -0.17283 -0.28272
|
|
264 11D 0 0.00000 -1.95913 1.01291 -0.06759 -0.16804
|
|
265 11D+1 -0.40198 0.00000 0.00000 0.00000 0.00000
|
|
266 11D-1 0.22496 0.00000 0.00000 0.00000 0.00000
|
|
267 11D+2 0.00000 2.98757 -1.35148 0.03595 0.10689
|
|
268 11D-2 0.00000 -1.78912 1.23034 0.02416 -0.22954
|
|
269 12D 0 0.00000 -1.63987 0.83182 0.58951 0.57322
|
|
270 12D+1 0.12687 0.00000 0.00000 0.00000 0.00000
|
|
271 12D-1 0.22867 0.00000 0.00000 0.00000 0.00000
|
|
272 12D+2 0.00000 2.57880 -1.42241 -0.96289 -1.00141
|
|
273 12D-2 0.00000 -1.53076 1.01849 0.67471 0.44578
|
|
274 13F 0 0.10011 0.00000 0.00000 0.00000 0.00000
|
|
275 13F+1 0.00000 -0.40433 0.20550 -0.15593 -0.28878
|
|
276 13F-1 0.00000 0.13770 -0.09670 0.00794 0.09697
|
|
277 13F+2 -0.13616 0.00000 0.00000 0.00000 0.00000
|
|
278 13F-2 0.06002 0.00000 0.00000 0.00000 0.00000
|
|
279 13F+3 0.00000 0.37392 -0.10154 0.17943 0.20518
|
|
280 13F-3 0.00000 -0.41134 0.25377 -0.14858 -0.27314
|
|
281 14F 0 0.09060 0.00000 0.00000 0.00000 0.00000
|
|
282 14F+1 0.00000 -0.91944 0.40552 0.19722 0.32807
|
|
283 14F-1 0.00000 0.24183 -0.20854 -0.08933 -0.05427
|
|
284 14F+2 0.02413 0.00000 0.00000 0.00000 0.00000
|
|
285 14F-2 0.19571 0.00000 0.00000 0.00000 0.00000
|
|
286 14F+3 0.00000 0.94513 -0.38807 -0.25505 -0.35528
|
|
287 14F-3 0.00000 -0.95015 0.62022 0.29189 0.33217
|
|
288 15G 0 0.00000 0.27648 -0.13001 0.02026 0.04138
|
|
289 15G+1 0.12477 0.00000 0.00000 0.00000 0.00000
|
|
290 15G-1 -0.07073 0.00000 0.00000 0.00000 0.00000
|
|
291 15G+2 0.00000 -0.35242 0.10385 -0.06166 -0.02791
|
|
292 15G-2 0.00000 0.24761 -0.17506 -0.04911 0.06140
|
|
293 15G+3 -0.05132 0.00000 0.00000 0.00000 0.00000
|
|
294 15G-3 0.11417 0.00000 0.00000 0.00000 0.00000
|
|
295 15G+4 0.00000 0.31045 -0.03401 0.01088 -0.00156
|
|
296 15G-4 0.00000 -0.53313 0.28738 -0.01661 -0.02268
|
|
297 5 H 1S 0.20838 -0.07375 -0.22701 -0.82573 0.66890
|
|
298 2S -3.53117 1.23913 3.90185 3.20463 -2.56459
|
|
299 3S 12.52884 -4.64214 -13.59196 -0.71225 -1.85052
|
|
300 4S 6.38596 -2.74464 -7.01338 -2.26052 -0.64663
|
|
301 5S 0.07718 0.06609 -0.33252 -0.04496 0.10970
|
|
302 6PX -0.06475 -0.26579 -0.08428 0.48628 -0.23854
|
|
303 6PY 0.03055 -0.02874 -0.18515 0.31083 -0.28326
|
|
304 6PZ 0.25911 0.03894 -0.01482 0.89276 -0.70717
|
|
305 7PX 0.78534 0.16830 -0.55842 -1.20578 0.69962
|
|
306 7PY 0.47498 -0.15074 -0.28427 -0.79824 0.74860
|
|
307 7PZ 0.86861 -0.51988 -1.27113 -2.21016 1.84814
|
|
308 8PX -3.68725 1.52246 4.09766 0.80213 -0.34661
|
|
309 8PY -2.86886 1.11319 3.62126 0.71033 0.00124
|
|
310 8PZ -7.03210 2.35807 7.59419 1.57611 -0.20615
|
|
311 9PX -1.86661 0.50381 1.78766 0.50523 0.03390
|
|
312 9PY -1.19767 0.45563 1.53491 0.56291 0.09176
|
|
313 9PZ -3.09468 1.34772 3.56059 1.11284 -0.31001
|
|
314 10D 0 -0.59763 0.17025 0.50933 0.21518 -0.21082
|
|
315 10D+1 -0.66001 0.27573 0.63320 0.25119 -0.21206
|
|
316 10D-1 -0.52281 0.16593 0.55325 0.17803 -0.16281
|
|
317 10D+2 -0.08621 0.04035 0.06244 0.06804 -0.00630
|
|
318 10D-2 -0.24151 0.15658 0.31605 0.09903 -0.12014
|
|
319 11D 0 1.76414 -0.28415 -1.40189 0.01744 -0.16127
|
|
320 11D+1 1.75520 -0.88216 -1.89099 0.03353 0.01610
|
|
321 11D-1 1.47498 -0.43841 -1.76540 -0.02625 -0.14068
|
|
322 11D+2 0.17594 -0.21487 -0.11740 -0.01314 0.08646
|
|
323 11D-2 0.64652 -0.48996 -1.00521 -0.00316 0.03384
|
|
324 12D 0 1.28894 -0.54201 -1.46697 -0.65088 0.40743
|
|
325 12D+1 1.62286 -0.53718 -1.61221 -0.69253 0.48658
|
|
326 12D-1 1.24775 -0.32550 -1.54531 -0.72248 0.34884
|
|
327 12D+2 0.28783 -0.00465 -0.20779 -0.07783 0.11220
|
|
328 12D-2 0.58241 -0.39998 -0.88496 -0.38225 0.22280
|
|
329 13F 0 -0.16733 -0.09105 0.00451 -0.05318 0.10741
|
|
330 13F+1 -0.32810 0.14152 0.31470 -0.15491 0.14598
|
|
331 13F-1 -0.29351 0.05548 0.29292 -0.12035 0.13433
|
|
332 13F+2 -0.02566 0.09881 0.01258 -0.05550 -0.02363
|
|
333 13F-2 -0.23993 0.14007 0.32061 -0.09888 0.12126
|
|
334 13F+3 0.03420 0.01643 -0.05901 0.00305 -0.05650
|
|
335 13F-3 -0.03578 0.06666 0.06031 -0.06020 0.01482
|
|
336 14F 0 -0.26330 0.06763 0.18821 0.08218 -0.07330
|
|
337 14F+1 -0.80817 0.30240 0.68397 0.20894 -0.21096
|
|
338 14F-1 -0.68802 0.10800 0.71596 0.23525 -0.18106
|
|
339 14F+2 -0.18054 0.12083 0.10554 0.05662 -0.05605
|
|
340 14F-2 -0.52741 0.30093 0.74535 0.22891 -0.17050
|
|
341 14F+3 0.00174 -0.09789 -0.09089 0.00347 0.03361
|
|
342 14F-3 -0.15150 0.14595 0.18776 0.05207 -0.06525
|
|
343 15G 0 -0.02298 0.09241 0.10820 -0.01982 -0.03108
|
|
344 15G+1 0.33312 -0.08365 -0.18573 0.04528 -0.02668
|
|
345 15G-1 0.30572 -0.00204 -0.21534 0.01865 -0.00635
|
|
346 15G+2 0.07919 -0.12145 -0.02757 0.01390 0.01145
|
|
347 15G-2 0.39460 -0.16834 -0.43729 -0.02674 -0.02224
|
|
348 15G+3 -0.04965 0.01310 0.13058 -0.00021 0.03037
|
|
349 15G-3 0.13585 -0.16040 -0.17057 0.02414 0.00981
|
|
350 15G+4 -0.01526 0.03415 0.01995 -0.03597 0.00576
|
|
351 15G-4 0.02059 -0.02599 -0.00686 0.01885 0.01840
|
|
352 6 H 1S -0.20838 -0.07375 -0.22701 -0.82573 0.66890
|
|
353 2S 3.53117 1.23913 3.90185 3.20463 -2.56459
|
|
354 3S -12.52884 -4.64214 -13.59196 -0.71225 -1.85052
|
|
355 4S -6.38596 -2.74464 -7.01338 -2.26052 -0.64663
|
|
356 5S -0.07718 0.06609 -0.33252 -0.04496 0.10970
|
|
357 6PX 0.06475 -0.26579 -0.08428 0.48628 -0.23854
|
|
358 6PY -0.03055 -0.02874 -0.18515 0.31083 -0.28326
|
|
359 6PZ 0.25911 -0.03894 0.01482 -0.89276 0.70717
|
|
360 7PX -0.78534 0.16830 -0.55842 -1.20578 0.69962
|
|
361 7PY -0.47498 -0.15074 -0.28427 -0.79824 0.74860
|
|
362 7PZ 0.86861 0.51988 1.27113 2.21016 -1.84814
|
|
363 8PX 3.68725 1.52246 4.09766 0.80213 -0.34661
|
|
364 8PY 2.86886 1.11319 3.62126 0.71033 0.00124
|
|
365 8PZ -7.03210 -2.35807 -7.59419 -1.57611 0.20615
|
|
366 9PX 1.86661 0.50381 1.78766 0.50523 0.03390
|
|
367 9PY 1.19767 0.45563 1.53491 0.56291 0.09176
|
|
368 9PZ -3.09468 -1.34772 -3.56059 -1.11284 0.31001
|
|
369 10D 0 0.59763 0.17025 0.50933 0.21518 -0.21082
|
|
370 10D+1 -0.66001 -0.27573 -0.63320 -0.25119 0.21206
|
|
371 10D-1 -0.52281 -0.16593 -0.55325 -0.17803 0.16281
|
|
372 10D+2 0.08621 0.04035 0.06244 0.06804 -0.00630
|
|
373 10D-2 0.24151 0.15658 0.31605 0.09903 -0.12014
|
|
374 11D 0 -1.76414 -0.28415 -1.40189 0.01744 -0.16127
|
|
375 11D+1 1.75520 0.88216 1.89099 -0.03353 -0.01610
|
|
376 11D-1 1.47498 0.43841 1.76540 0.02625 0.14068
|
|
377 11D+2 -0.17594 -0.21487 -0.11740 -0.01314 0.08646
|
|
378 11D-2 -0.64652 -0.48996 -1.00521 -0.00316 0.03384
|
|
379 12D 0 -1.28894 -0.54201 -1.46697 -0.65088 0.40743
|
|
380 12D+1 1.62286 0.53718 1.61221 0.69253 -0.48658
|
|
381 12D-1 1.24775 0.32550 1.54531 0.72248 -0.34884
|
|
382 12D+2 -0.28783 -0.00465 -0.20779 -0.07783 0.11220
|
|
383 12D-2 -0.58241 -0.39998 -0.88496 -0.38225 0.22280
|
|
384 13F 0 -0.16733 0.09105 -0.00451 0.05318 -0.10741
|
|
385 13F+1 0.32810 0.14152 0.31470 -0.15491 0.14598
|
|
386 13F-1 0.29351 0.05548 0.29292 -0.12035 0.13433
|
|
387 13F+2 -0.02566 -0.09881 -0.01258 0.05550 0.02363
|
|
388 13F-2 -0.23993 -0.14007 -0.32061 0.09888 -0.12126
|
|
389 13F+3 -0.03420 0.01643 -0.05901 0.00305 -0.05650
|
|
390 13F-3 0.03578 0.06666 0.06031 -0.06020 0.01482
|
|
391 14F 0 -0.26330 -0.06763 -0.18821 -0.08218 0.07330
|
|
392 14F+1 0.80817 0.30240 0.68397 0.20894 -0.21096
|
|
393 14F-1 0.68802 0.10800 0.71596 0.23525 -0.18106
|
|
394 14F+2 -0.18054 -0.12083 -0.10554 -0.05662 0.05605
|
|
395 14F-2 -0.52741 -0.30093 -0.74535 -0.22891 0.17050
|
|
396 14F+3 -0.00174 -0.09789 -0.09089 0.00347 0.03361
|
|
397 14F-3 0.15150 0.14595 0.18776 0.05207 -0.06525
|
|
398 15G 0 0.02298 0.09241 0.10820 -0.01982 -0.03108
|
|
399 15G+1 0.33312 0.08365 0.18573 -0.04528 0.02668
|
|
400 15G-1 0.30572 0.00204 0.21534 -0.01865 0.00635
|
|
401 15G+2 -0.07919 -0.12145 -0.02757 0.01390 0.01145
|
|
402 15G-2 -0.39460 -0.16834 -0.43729 -0.02674 -0.02224
|
|
403 15G+3 -0.04965 -0.01310 -0.13058 0.00021 -0.03037
|
|
404 15G-3 0.13585 0.16040 0.17057 -0.02414 -0.00981
|
|
405 15G+4 0.01526 0.03415 0.01995 -0.03597 0.00576
|
|
406 15G-4 -0.02059 -0.02599 -0.00686 0.01885 0.01840
|
|
401 402 403 404 405
|
|
V V V V V
|
|
Eigenvalues -- 20.87597 25.02295 26.88805 27.83560 42.19852
|
|
1 1 C 1S 0.00000 0.00000 0.05945 0.04348 -2.91483
|
|
2 2S 0.00000 0.00000 0.00924 0.02593 -6.45959
|
|
3 3S 0.00000 0.00000 -0.83984 -0.36182 -11.16869
|
|
4 4S 0.00000 0.00000 3.06535 0.70132 12.00111
|
|
5 5S 0.00000 0.00000 1.43130 2.44858 30.94854
|
|
6 6S 0.00000 0.00000 -0.92626 -0.29035 5.26850
|
|
7 7PX 0.00000 0.00000 -0.00029 -0.00424 0.00551
|
|
8 7PY 0.00000 0.00000 0.15383 0.11944 -0.05737
|
|
9 7PZ -0.09046 -0.00513 0.00000 0.00000 0.00000
|
|
10 8PX 0.00000 0.00000 -0.01337 -0.02159 0.05286
|
|
11 8PY 0.00000 0.00000 -1.02285 -0.76692 -0.92256
|
|
12 8PZ -2.87473 0.05090 0.00000 0.00000 0.00000
|
|
13 9PX 0.00000 0.00000 -0.19744 0.06598 -0.61098
|
|
14 9PY 0.00000 0.00000 3.91299 2.12074 10.55296
|
|
15 9PZ 7.30270 0.62009 0.00000 0.00000 0.00000
|
|
16 10PX 0.00000 0.00000 0.42294 0.72638 -0.21395
|
|
17 10PY 0.00000 0.00000 4.06213 -0.39466 6.73425
|
|
18 10PZ 4.65277 -0.63265 0.00000 0.00000 0.00000
|
|
19 11PX 0.00000 0.00000 0.03403 -0.02192 0.02953
|
|
20 11PY 0.00000 0.00000 0.39614 -0.06050 0.30435
|
|
21 11PZ -0.06835 0.02930 0.00000 0.00000 0.00000
|
|
22 12D 0 0.00000 0.00000 0.03685 0.02292 -0.09507
|
|
23 12D+1 -0.52083 -0.01066 0.00000 0.00000 0.00000
|
|
24 12D-1 -0.48402 -0.02312 0.00000 0.00000 0.00000
|
|
25 12D+2 0.00000 0.00000 0.07494 0.07790 -0.14386
|
|
26 12D-2 0.00000 0.00000 -0.00026 -0.01725 -0.02103
|
|
27 13D 0 0.00000 0.00000 -0.19053 -0.14129 0.25710
|
|
28 13D+1 0.32686 0.08397 0.00000 0.00000 0.00000
|
|
29 13D-1 0.36948 0.11777 0.00000 0.00000 0.00000
|
|
30 13D+2 0.00000 0.00000 -0.36703 -0.34013 0.37394
|
|
31 13D-2 0.00000 0.00000 0.02947 0.06328 0.06607
|
|
32 14D 0 0.00000 0.00000 1.42059 0.66305 2.61057
|
|
33 14D+1 3.77445 -0.29522 0.00000 0.00000 0.00000
|
|
34 14D-1 2.85611 -0.38098 0.00000 0.00000 0.00000
|
|
35 14D+2 0.00000 0.00000 2.32864 1.08598 4.17550
|
|
36 14D-2 0.00000 0.00000 -0.30406 -0.28979 0.40407
|
|
37 15D 0 0.00000 0.00000 1.17304 0.14616 1.09371
|
|
38 15D+1 1.60763 -0.63326 0.00000 0.00000 0.00000
|
|
39 15D-1 0.35372 0.50808 0.00000 0.00000 0.00000
|
|
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300 4S -1.90963 -0.05198 -1.22292 0.21903 -6.85235
|
|
301 5S 0.19057 -0.01377 -0.06113 0.07509 -0.22544
|
|
302 6PX -0.60948 0.01017 0.00377 -0.01939 -0.05041
|
|
303 6PY -0.48507 0.00073 -0.00004 0.01932 -0.03905
|
|
304 6PZ -0.99729 0.02428 -0.01079 -0.00338 -0.09417
|
|
305 7PX 1.60320 -0.04185 -0.03975 0.05181 0.07382
|
|
306 7PY 1.26233 -0.01844 -0.03476 -0.05467 0.06289
|
|
307 7PZ 2.70760 -0.08016 -0.02745 0.00533 0.13763
|
|
308 8PX -0.04197 0.05619 0.46718 0.16939 2.76154
|
|
309 8PY 0.19892 0.10600 0.51850 0.31763 1.96711
|
|
310 8PZ -0.35631 0.05373 0.81424 0.52598 5.13202
|
|
311 9PX -0.10769 0.27144 0.38600 -0.08749 1.60803
|
|
312 9PY 0.30889 -0.16068 0.20817 0.04778 1.16626
|
|
313 9PZ -0.02585 0.17646 0.31293 -0.02439 3.00763
|
|
314 10D 0 -0.30042 0.00018 0.02221 0.01191 0.06154
|
|
315 10D+1 -0.37860 -0.00671 0.02841 0.00812 0.06842
|
|
316 10D-1 -0.29207 0.02443 0.02839 0.00513 0.03663
|
|
317 10D+2 -0.05116 0.01652 -0.01556 -0.00001 0.01550
|
|
318 10D-2 -0.13924 0.01765 0.01485 0.00712 0.02068
|
|
319 11D 0 0.00427 0.03308 -0.10476 -0.06806 -0.70455
|
|
320 11D+1 -0.19034 0.04263 -0.12122 -0.07291 -0.83137
|
|
321 11D-1 -0.20148 -0.07886 -0.13769 -0.05674 -0.58733
|
|
322 11D+2 0.03519 -0.03051 0.04321 -0.01407 -0.11713
|
|
323 11D-2 -0.15086 -0.05566 -0.07565 -0.04032 -0.31865
|
|
324 12D 0 0.67076 0.00372 -0.08875 -0.06744 -0.85091
|
|
325 12D+1 0.68983 -0.13116 -0.21669 -0.00625 -0.97786
|
|
326 12D-1 0.47854 -0.13063 -0.12152 0.05423 -0.65035
|
|
327 12D+2 0.18551 0.00807 -0.07051 0.07782 -0.17311
|
|
328 12D-2 0.24788 -0.05225 -0.03013 -0.03189 -0.34143
|
|
329 13F 0 -0.00033 0.00222 0.00302 -0.00660 0.01820
|
|
330 13F+1 0.27639 -0.00510 0.00240 0.00601 0.08865
|
|
331 13F-1 0.22132 0.00730 0.00576 0.01974 0.07273
|
|
332 13F+2 0.03584 -0.00284 -0.00437 -0.00388 0.01083
|
|
333 13F-2 0.21741 -0.00397 0.01941 0.01493 0.06724
|
|
334 13F+3 -0.02656 0.00419 -0.00803 0.00374 -0.01290
|
|
335 13F-3 0.04678 0.01926 -0.00961 -0.00380 0.02072
|
|
336 14F 0 -0.11811 -0.05334 0.01334 0.04310 0.10230
|
|
337 14F+1 -0.33760 -0.01353 0.07430 0.00818 0.24018
|
|
338 14F-1 -0.28117 0.04993 0.05127 -0.03342 0.17108
|
|
339 14F+2 -0.09503 -0.01544 0.02568 0.01966 0.08584
|
|
340 14F-2 -0.23265 0.07327 0.02766 -0.00270 0.17044
|
|
341 14F+3 0.00769 -0.01761 0.02128 -0.01674 0.01303
|
|
342 14F-3 -0.11644 -0.00679 0.02648 0.01254 0.03482
|
|
343 15G 0 0.05062 0.01164 -0.00216 -0.00679 -0.00700
|
|
344 15G+1 -0.02591 0.00839 -0.01456 -0.00325 0.00701
|
|
345 15G-1 -0.00171 -0.00391 -0.00770 -0.00298 0.00315
|
|
346 15G+2 -0.00542 0.01000 -0.00954 -0.00513 0.00034
|
|
347 15G-2 -0.05909 -0.01024 -0.01657 -0.00520 -0.00022
|
|
348 15G+3 0.01254 0.00957 -0.00825 -0.00357 -0.00581
|
|
349 15G-3 0.00750 -0.00742 -0.00637 -0.00316 0.00340
|
|
350 15G+4 -0.01109 0.00076 -0.00236 0.00467 -0.00372
|
|
351 15G-4 0.01638 0.00006 -0.00332 0.00189 0.00243
|
|
352 6 H 1S -1.09215 0.01233 -0.00199 0.01250 0.16744
|
|
353 2S 4.18254 -0.06847 0.22089 0.02282 0.47245
|
|
354 3S 3.31472 -0.21525 -2.18747 -1.31405 -11.91237
|
|
355 4S 1.90963 0.05198 -1.22292 0.21903 -6.85235
|
|
356 5S -0.19057 0.01377 -0.06113 0.07509 -0.22544
|
|
357 6PX 0.60948 -0.01017 0.00377 -0.01939 -0.05041
|
|
358 6PY 0.48507 -0.00073 -0.00004 0.01932 -0.03905
|
|
359 6PZ -0.99729 0.02428 0.01079 0.00338 0.09417
|
|
360 7PX -1.60320 0.04185 -0.03975 0.05181 0.07382
|
|
361 7PY -1.26233 0.01844 -0.03476 -0.05467 0.06289
|
|
362 7PZ 2.70760 -0.08016 0.02745 -0.00533 -0.13763
|
|
363 8PX 0.04197 -0.05619 0.46718 0.16939 2.76154
|
|
364 8PY -0.19892 -0.10600 0.51850 0.31763 1.96711
|
|
365 8PZ -0.35631 0.05373 -0.81424 -0.52598 -5.13202
|
|
366 9PX 0.10769 -0.27144 0.38600 -0.08749 1.60803
|
|
367 9PY -0.30889 0.16068 0.20817 0.04778 1.16626
|
|
368 9PZ -0.02585 0.17646 -0.31293 0.02439 -3.00763
|
|
369 10D 0 0.30042 -0.00018 0.02221 0.01191 0.06154
|
|
370 10D+1 -0.37860 -0.00671 -0.02841 -0.00812 -0.06842
|
|
371 10D-1 -0.29207 0.02443 -0.02839 -0.00513 -0.03663
|
|
372 10D+2 0.05116 -0.01652 -0.01556 -0.00001 0.01550
|
|
373 10D-2 0.13924 -0.01765 0.01485 0.00712 0.02068
|
|
374 11D 0 -0.00427 -0.03308 -0.10476 -0.06806 -0.70455
|
|
375 11D+1 -0.19034 0.04263 0.12122 0.07291 0.83137
|
|
376 11D-1 -0.20148 -0.07886 0.13769 0.05674 0.58733
|
|
377 11D+2 -0.03519 0.03051 0.04321 -0.01407 -0.11713
|
|
378 11D-2 0.15086 0.05566 -0.07565 -0.04032 -0.31865
|
|
379 12D 0 -0.67076 -0.00372 -0.08875 -0.06744 -0.85091
|
|
380 12D+1 0.68983 -0.13116 0.21669 0.00625 0.97786
|
|
381 12D-1 0.47854 -0.13063 0.12152 -0.05423 0.65035
|
|
382 12D+2 -0.18551 -0.00807 -0.07051 0.07782 -0.17311
|
|
383 12D-2 -0.24788 0.05225 -0.03013 -0.03189 -0.34143
|
|
384 13F 0 -0.00033 0.00222 -0.00302 0.00660 -0.01820
|
|
385 13F+1 -0.27639 0.00510 0.00240 0.00601 0.08865
|
|
386 13F-1 -0.22132 -0.00730 0.00576 0.01974 0.07273
|
|
387 13F+2 0.03584 -0.00284 0.00437 0.00388 -0.01083
|
|
388 13F-2 0.21741 -0.00397 -0.01941 -0.01493 -0.06724
|
|
389 13F+3 0.02656 -0.00419 -0.00803 0.00374 -0.01290
|
|
390 13F-3 -0.04678 -0.01926 -0.00961 -0.00380 0.02072
|
|
391 14F 0 -0.11811 -0.05334 -0.01334 -0.04310 -0.10230
|
|
392 14F+1 0.33760 0.01353 0.07430 0.00818 0.24018
|
|
393 14F-1 0.28117 -0.04993 0.05127 -0.03342 0.17108
|
|
394 14F+2 -0.09503 -0.01544 -0.02568 -0.01966 -0.08584
|
|
395 14F-2 -0.23265 0.07327 -0.02766 0.00270 -0.17044
|
|
396 14F+3 -0.00769 0.01761 0.02128 -0.01674 0.01303
|
|
397 14F-3 0.11644 0.00679 0.02648 0.01254 0.03482
|
|
398 15G 0 -0.05062 -0.01164 -0.00216 -0.00679 -0.00700
|
|
399 15G+1 -0.02591 0.00839 0.01456 0.00325 -0.00701
|
|
400 15G-1 -0.00171 -0.00391 0.00770 0.00298 -0.00315
|
|
401 15G+2 0.00542 -0.01000 -0.00954 -0.00513 0.00034
|
|
402 15G-2 0.05909 0.01024 -0.01657 -0.00520 -0.00022
|
|
403 15G+3 0.01254 0.00957 0.00825 0.00357 0.00581
|
|
404 15G-3 0.00750 -0.00742 0.00637 0.00316 -0.00340
|
|
405 15G+4 0.01109 -0.00076 -0.00236 0.00467 -0.00372
|
|
406 15G-4 -0.01638 -0.00006 -0.00332 0.00189 0.00243
|
|
406
|
|
V
|
|
Eigenvalues -- 69.42200
|
|
1 1 C 1S 0.08274
|
|
2 2S 0.23626
|
|
3 3S 0.57480
|
|
4 4S 1.40107
|
|
5 5S -8.43984
|
|
6 6S -1.37951
|
|
7 7PX 0.00231
|
|
8 7PY -0.04192
|
|
9 7PZ 0.00000
|
|
10 8PX -0.09923
|
|
11 8PY 0.31830
|
|
12 8PZ 0.00000
|
|
13 9PX 0.59404
|
|
14 9PY -1.29988
|
|
15 9PZ 0.00000
|
|
16 10PX 1.44791
|
|
17 10PY 5.33029
|
|
18 10PZ 0.00000
|
|
19 11PX -0.01123
|
|
20 11PY 0.33242
|
|
21 11PZ 0.00000
|
|
22 12D 0 -0.01707
|
|
23 12D+1 0.00000
|
|
24 12D-1 0.00000
|
|
25 12D+2 -0.03813
|
|
26 12D-2 0.00350
|
|
27 13D 0 0.04425
|
|
28 13D+1 0.00000
|
|
29 13D-1 0.00000
|
|
30 13D+2 0.15605
|
|
31 13D-2 -0.03164
|
|
32 14D 0 0.02234
|
|
33 14D+1 0.00000
|
|
34 14D-1 0.00000
|
|
35 14D+2 -0.77054
|
|
36 14D-2 0.37538
|
|
37 15D 0 1.07515
|
|
38 15D+1 0.00000
|
|
39 15D-1 0.00000
|
|
40 15D+2 0.62238
|
|
41 15D-2 -0.05649
|
|
42 16F 0 0.00000
|
|
43 16F+1 0.03160
|
|
44 16F-1 -0.02580
|
|
45 16F+2 0.00000
|
|
46 16F-2 0.00000
|
|
47 16F+3 -0.02524
|
|
48 16F-3 -0.01052
|
|
49 17F 0 0.00000
|
|
50 17F+1 -0.37634
|
|
51 17F-1 -0.09317
|
|
52 17F+2 0.00000
|
|
53 17F-2 0.00000
|
|
54 17F+3 0.15786
|
|
55 17F-3 -0.27274
|
|
56 18F 0 0.00000
|
|
57 18F+1 -0.88614
|
|
58 18F-1 0.02743
|
|
59 18F+2 0.00000
|
|
60 18F-2 0.00000
|
|
61 18F+3 0.43599
|
|
62 18F-3 -0.02236
|
|
63 19G 0 -0.02535
|
|
64 19G+1 0.00000
|
|
65 19G-1 0.00000
|
|
66 19G+2 -0.03723
|
|
67 19G-2 -0.04177
|
|
68 19G+3 0.00000
|
|
69 19G-3 0.00000
|
|
70 19G+4 -0.04487
|
|
71 19G-4 0.02569
|
|
72 20G 0 0.09713
|
|
73 20G+1 0.00000
|
|
74 20G-1 0.00000
|
|
75 20G+2 0.19738
|
|
76 20G-2 -0.14222
|
|
77 20G+3 0.00000
|
|
78 20G-3 0.00000
|
|
79 20G+4 0.21137
|
|
80 20G-4 0.08487
|
|
81 21H 0 0.00000
|
|
82 21H+1 0.01717
|
|
83 21H-1 -0.03399
|
|
84 21H+2 0.00000
|
|
85 21H-2 0.00000
|
|
86 21H+3 0.01758
|
|
87 21H-3 -0.02835
|
|
88 21H+4 0.00000
|
|
89 21H-4 0.00000
|
|
90 21H+5 -0.01248
|
|
91 21H-5 -0.06629
|
|
92 2 S 1S 2.11018
|
|
93 2S 7.33582
|
|
94 3S 16.54341
|
|
95 4S 17.75159
|
|
96 5S -13.89841
|
|
97 6S 0.05726
|
|
98 7S 2.80910
|
|
99 8PX 0.22261
|
|
100 8PY 0.06404
|
|
101 8PZ 0.00000
|
|
102 9PX 0.45484
|
|
103 9PY 0.12059
|
|
104 9PZ 0.00000
|
|
105 10PX 2.35172
|
|
106 10PY 0.32201
|
|
107 10PZ 0.00000
|
|
108 11PX -7.38311
|
|
109 11PY -1.29038
|
|
110 11PZ 0.00000
|
|
111 12PX -3.24756
|
|
112 12PY 6.91756
|
|
113 12PZ 0.00000
|
|
114 13PX 0.00122
|
|
115 13PY 0.62922
|
|
116 13PZ 0.00000
|
|
117 14D 0 -1.17555
|
|
118 14D+1 0.00000
|
|
119 14D-1 0.00000
|
|
120 14D+2 -3.27877
|
|
121 14D-2 0.10310
|
|
122 15D 0 2.57845
|
|
123 15D+1 0.00000
|
|
124 15D-1 0.00000
|
|
125 15D+2 -3.82709
|
|
126 15D-2 1.18888
|
|
127 16D 0 -0.17327
|
|
128 16D+1 0.00000
|
|
129 16D-1 0.00000
|
|
130 16D+2 0.44641
|
|
131 16D-2 -0.16752
|
|
132 17D 0 -0.04073
|
|
133 17D+1 0.00000
|
|
134 17D-1 0.00000
|
|
135 17D+2 -0.02547
|
|
136 17D-2 0.01933
|
|
137 18F 0 0.00000
|
|
138 18F+1 0.03311
|
|
139 18F-1 -0.68796
|
|
140 18F+2 0.00000
|
|
141 18F-2 0.00000
|
|
142 18F+3 0.06258
|
|
143 18F-3 -0.64251
|
|
144 19F 0 0.00000
|
|
145 19F+1 1.31430
|
|
146 19F-1 -0.10188
|
|
147 19F+2 0.00000
|
|
148 19F-2 0.00000
|
|
149 19F+3 -1.69921
|
|
150 19F-3 0.69088
|
|
151 20F 0 0.00000
|
|
152 20F+1 0.18079
|
|
153 20F-1 0.01803
|
|
154 20F+2 0.00000
|
|
155 20F-2 0.00000
|
|
156 20F+3 -0.18530
|
|
157 20F-3 0.14038
|
|
158 21G 0 -0.07724
|
|
159 21G+1 0.00000
|
|
160 21G-1 0.00000
|
|
161 21G+2 0.36513
|
|
162 21G-2 -0.04463
|
|
163 21G+3 0.00000
|
|
164 21G-3 0.00000
|
|
165 21G+4 -0.22801
|
|
166 21G-4 0.16838
|
|
167 22G 0 -0.25178
|
|
168 22G+1 0.00000
|
|
169 22G-1 0.00000
|
|
170 22G+2 0.23806
|
|
171 22G-2 -0.08398
|
|
172 22G+3 0.00000
|
|
173 22G-3 0.00000
|
|
174 22G+4 -0.40160
|
|
175 22G-4 0.18397
|
|
176 23H 0 0.00000
|
|
177 23H+1 -0.12914
|
|
178 23H-1 0.01099
|
|
179 23H+2 0.00000
|
|
180 23H-2 0.00000
|
|
181 23H+3 0.11879
|
|
182 23H-3 -0.06287
|
|
183 23H+4 0.00000
|
|
184 23H-4 0.00000
|
|
185 23H+5 -0.13285
|
|
186 23H-5 0.09293
|
|
187 3 H 1S 0.09019
|
|
188 2S -1.86538
|
|
189 3S 8.48624
|
|
190 4S 3.56590
|
|
191 5S -0.07883
|
|
192 6PX -0.11503
|
|
193 6PY -0.00788
|
|
194 6PZ 0.00000
|
|
195 7PX 0.92244
|
|
196 7PY -0.05083
|
|
197 7PZ 0.00000
|
|
198 8PX -6.03195
|
|
199 8PY 0.63954
|
|
200 8PZ 0.00000
|
|
201 9PX -2.84105
|
|
202 9PY 0.27680
|
|
203 9PZ 0.00000
|
|
204 10D 0 0.17131
|
|
205 10D+1 0.00000
|
|
206 10D-1 0.00000
|
|
207 10D+2 -0.28447
|
|
208 10D-2 0.07160
|
|
209 11D 0 -0.68778
|
|
210 11D+1 0.00000
|
|
211 11D-1 0.00000
|
|
212 11D+2 1.12848
|
|
213 11D-2 -0.29418
|
|
214 12D 0 -1.11657
|
|
215 12D+1 0.00000
|
|
216 12D-1 0.00000
|
|
217 12D+2 2.00008
|
|
218 12D-2 -0.42609
|
|
219 13F 0 0.00000
|
|
220 13F+1 0.02065
|
|
221 13F-1 -0.00644
|
|
222 13F+2 0.00000
|
|
223 13F-2 0.00000
|
|
224 13F+3 -0.01968
|
|
225 13F-3 0.00905
|
|
226 14F 0 0.00000
|
|
227 14F+1 0.52804
|
|
228 14F-1 -0.05465
|
|
229 14F+2 0.00000
|
|
230 14F-2 0.00000
|
|
231 14F+3 -0.65346
|
|
232 14F-3 0.25715
|
|
233 15G 0 0.03243
|
|
234 15G+1 0.00000
|
|
235 15G-1 0.00000
|
|
236 15G+2 -0.04780
|
|
237 15G-2 0.01267
|
|
238 15G+3 0.00000
|
|
239 15G-3 0.00000
|
|
240 15G+4 0.05368
|
|
241 15G-4 -0.03646
|
|
242 4 H 1S -0.02957
|
|
243 2S -0.03543
|
|
244 3S 3.59276
|
|
245 4S -0.17037
|
|
246 5S -0.07514
|
|
247 6PX -0.01325
|
|
248 6PY -0.01708
|
|
249 6PZ 0.00000
|
|
250 7PX 0.04806
|
|
251 7PY 0.05038
|
|
252 7PZ 0.00000
|
|
253 8PX 1.32829
|
|
254 8PY -0.38941
|
|
255 8PZ 0.00000
|
|
256 9PX -0.18374
|
|
257 9PY -0.31543
|
|
258 9PZ 0.00000
|
|
259 10D 0 0.01152
|
|
260 10D+1 0.00000
|
|
261 10D-1 0.00000
|
|
262 10D+2 -0.01830
|
|
263 10D-2 -0.00643
|
|
264 11D 0 -0.11969
|
|
265 11D+1 0.00000
|
|
266 11D-1 0.00000
|
|
267 11D+2 0.21056
|
|
268 11D-2 -0.02924
|
|
269 12D 0 -0.07810
|
|
270 12D+1 0.00000
|
|
271 12D-1 0.00000
|
|
272 12D+2 -0.03464
|
|
273 12D-2 0.10730
|
|
274 13F 0 0.00000
|
|
275 13F+1 -0.01156
|
|
276 13F-1 0.01597
|
|
277 13F+2 0.00000
|
|
278 13F-2 0.00000
|
|
279 13F+3 0.01443
|
|
280 13F-3 -0.02378
|
|
281 14F 0 0.00000
|
|
282 14F+1 -0.00394
|
|
283 14F-1 -0.03530
|
|
284 14F+2 0.00000
|
|
285 14F-2 0.00000
|
|
286 14F+3 0.03950
|
|
287 14F-3 0.09469
|
|
288 15G 0 -0.00747
|
|
289 15G+1 0.00000
|
|
290 15G-1 0.00000
|
|
291 15G+2 0.00128
|
|
292 15G-2 0.00124
|
|
293 15G+3 0.00000
|
|
294 15G-3 0.00000
|
|
295 15G+4 0.01133
|
|
296 15G-4 0.00566
|
|
297 5 H 1S -0.01908
|
|
298 2S -0.03118
|
|
299 3S 2.06169
|
|
300 4S -1.88970
|
|
301 5S 0.09299
|
|
302 6PX 0.00130
|
|
303 6PY -0.03535
|
|
304 6PZ 0.00037
|
|
305 7PX -0.00718
|
|
306 7PY 0.11478
|
|
307 7PZ 0.00191
|
|
308 8PX -0.35398
|
|
309 8PY -0.47200
|
|
310 8PZ -0.77431
|
|
311 9PX 0.31251
|
|
312 9PY 0.01567
|
|
313 9PZ 0.44719
|
|
314 10D 0 -0.00947
|
|
315 10D+1 -0.00537
|
|
316 10D-1 -0.01229
|
|
317 10D+2 -0.00349
|
|
318 10D-2 0.00451
|
|
319 11D 0 0.11239
|
|
320 11D+1 0.09055
|
|
321 11D-1 0.08139
|
|
322 11D+2 0.04241
|
|
323 11D-2 0.01185
|
|
324 12D 0 -0.05079
|
|
325 12D+1 0.05777
|
|
326 12D-1 -0.06455
|
|
327 12D+2 -0.20104
|
|
328 12D-2 -0.00695
|
|
329 13F 0 -0.00666
|
|
330 13F+1 -0.00681
|
|
331 13F-1 -0.02988
|
|
332 13F+2 -0.00637
|
|
333 13F-2 -0.01652
|
|
334 13F+3 -0.00055
|
|
335 13F-3 -0.01426
|
|
336 14F 0 -0.00361
|
|
337 14F+1 -0.01863
|
|
338 14F-1 0.06270
|
|
339 14F+2 0.01325
|
|
340 14F-2 0.01830
|
|
341 14F+3 0.00070
|
|
342 14F-3 0.05554
|
|
343 15G 0 0.00539
|
|
344 15G+1 -0.00264
|
|
345 15G-1 -0.00274
|
|
346 15G+2 0.00130
|
|
347 15G-2 0.00576
|
|
348 15G+3 0.00262
|
|
349 15G-3 -0.00313
|
|
350 15G+4 0.00377
|
|
351 15G-4 -0.00384
|
|
352 6 H 1S -0.01908
|
|
353 2S -0.03118
|
|
354 3S 2.06169
|
|
355 4S -1.88970
|
|
356 5S 0.09299
|
|
357 6PX 0.00130
|
|
358 6PY -0.03535
|
|
359 6PZ -0.00037
|
|
360 7PX -0.00718
|
|
361 7PY 0.11478
|
|
362 7PZ -0.00191
|
|
363 8PX -0.35398
|
|
364 8PY -0.47200
|
|
365 8PZ 0.77431
|
|
366 9PX 0.31251
|
|
367 9PY 0.01567
|
|
368 9PZ -0.44719
|
|
369 10D 0 -0.00947
|
|
370 10D+1 0.00537
|
|
371 10D-1 0.01229
|
|
372 10D+2 -0.00349
|
|
373 10D-2 0.00451
|
|
374 11D 0 0.11239
|
|
375 11D+1 -0.09055
|
|
376 11D-1 -0.08139
|
|
377 11D+2 0.04241
|
|
378 11D-2 0.01185
|
|
379 12D 0 -0.05079
|
|
380 12D+1 -0.05777
|
|
381 12D-1 0.06455
|
|
382 12D+2 -0.20104
|
|
383 12D-2 -0.00695
|
|
384 13F 0 0.00666
|
|
385 13F+1 -0.00681
|
|
386 13F-1 -0.02988
|
|
387 13F+2 0.00637
|
|
388 13F-2 0.01652
|
|
389 13F+3 -0.00055
|
|
390 13F-3 -0.01426
|
|
391 14F 0 0.00361
|
|
392 14F+1 -0.01863
|
|
393 14F-1 0.06270
|
|
394 14F+2 -0.01325
|
|
395 14F-2 -0.01830
|
|
396 14F+3 0.00070
|
|
397 14F-3 0.05554
|
|
398 15G 0 0.00539
|
|
399 15G+1 0.00264
|
|
400 15G-1 0.00274
|
|
401 15G+2 0.00130
|
|
402 15G-2 0.00576
|
|
403 15G+3 -0.00262
|
|
404 15G-3 0.00313
|
|
405 15G+4 0.00377
|
|
406 15G-4 -0.00384
|
|
Alpha Density Matrix:
|
|
1 2 3 4 5
|
|
1 1 C 1S 0.33024
|
|
2 2S -0.25469 0.20474
|
|
3 3S 0.04696 -0.03692 0.00674
|
|
4 4S -0.02410 0.04130 -0.00536 0.06392
|
|
5 5S -0.03435 0.05782 -0.00757 0.08807 0.12259
|
|
6 6S -0.00616 0.01047 -0.00141 0.01631 0.02269
|
|
7 7PX -0.00003 0.00004 -0.00003 0.00031 0.00026
|
|
8 7PY -0.00102 0.00141 -0.00001 0.00118 0.00201
|
|
9 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
10 8PX -0.00004 0.00008 -0.00006 0.00055 0.00052
|
|
11 8PY -0.00085 0.00172 0.00011 0.00195 0.00333
|
|
12 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
13 9PX -0.00020 0.00033 -0.00011 0.00118 0.00091
|
|
14 9PY -0.00102 0.00154 0.00033 0.00043 0.00179
|
|
15 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
16 10PX -0.00038 0.00063 -0.00016 0.00150 0.00172
|
|
17 10PY -0.00106 0.00162 0.00017 0.00091 0.00261
|
|
18 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
19 11PX -0.00020 0.00034 -0.00007 0.00067 0.00082
|
|
20 11PY -0.00025 0.00040 0.00004 0.00028 0.00044
|
|
21 11PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
22 12D 0 -0.00006 0.00007 -0.00001 0.00007 0.00010
|
|
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 -0.00008 0.00010 -0.00001 0.00010 0.00014
|
|
26 12D-2 -0.00001 0.00002 0.00000 0.00002 0.00005
|
|
27 13D 0 -0.00002 0.00011 0.00000 0.00024 0.00033
|
|
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 -0.00002 0.00014 0.00001 0.00029 0.00040
|
|
31 13D-2 -0.00001 0.00003 -0.00001 0.00006 0.00016
|
|
32 14D 0 -0.00009 0.00013 0.00001 0.00010 0.00033
|
|
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 -0.00007 0.00009 0.00005 -0.00011 0.00002
|
|
36 14D-2 -0.00011 0.00017 -0.00003 0.00022 0.00064
|
|
37 15D 0 -0.00007 0.00011 -0.00001 0.00011 0.00033
|
|
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 -0.00035 0.00053 -0.00004 0.00063 0.00093
|
|
41 15D-2 0.00005 -0.00009 0.00001 -0.00017 -0.00005
|
|
42 16F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
43 16F+1 -0.00002 0.00008 -0.00001 0.00017 0.00024
|
|
44 16F-1 -0.00002 0.00006 -0.00001 0.00011 0.00016
|
|
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 -0.00003 0.00000 -0.00007 -0.00008
|
|
48 16F-3 -0.00003 0.00006 -0.00001 0.00011 0.00016
|
|
49 17F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
50 17F+1 -0.00024 0.00049 -0.00006 0.00084 0.00121
|
|
51 17F-1 -0.00016 0.00033 -0.00004 0.00059 0.00082
|
|
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 0.00008 -0.00017 0.00002 -0.00029 -0.00038
|
|
55 17F-3 -0.00016 0.00033 -0.00004 0.00059 0.00081
|
|
56 18F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
57 18F+1 -0.00042 0.00074 -0.00009 0.00111 0.00166
|
|
58 18F-1 -0.00034 0.00060 -0.00008 0.00094 0.00139
|
|
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 0.00015 -0.00027 0.00003 -0.00041 -0.00054
|
|
62 18F-3 -0.00027 0.00050 -0.00007 0.00082 0.00110
|
|
63 19G 0 0.00000 0.00000 0.00000 0.00001 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 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
67 19G-2 0.00000 0.00003 0.00000 0.00008 0.00011
|
|
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 0.00000 0.00001 0.00000 0.00002 0.00003
|
|
71 19G-4 0.00000 -0.00001 0.00000 -0.00003 -0.00004
|
|
72 20G 0 0.00000 0.00002 0.00000 0.00006 0.00008
|
|
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 -0.00002 0.00000 0.00002 0.00000
|
|
76 20G-2 -0.00014 0.00024 -0.00003 0.00035 0.00049
|
|
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 0.00000 0.00004 -0.00001 0.00011 0.00016
|
|
80 20G-4 0.00005 -0.00009 0.00001 -0.00012 -0.00019
|
|
81 21H 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
82 21H+1 0.00001 -0.00001 0.00000 0.00000 0.00000
|
|
83 21H-1 0.00000 0.00001 0.00000 0.00001 0.00002
|
|
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 -0.00001 -0.00002
|
|
87 21H-3 0.00000 0.00001 0.00000 0.00001 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 0.00001 0.00000 0.00001 0.00002
|
|
92 2 S 1S -0.00022 0.00028 -0.00009 0.00009 0.00113
|
|
93 2S 0.00030 -0.00038 0.00015 -0.00029 -0.00140
|
|
94 3S -0.00068 0.00074 -0.00035 -0.00004 0.00335
|
|
95 4S 0.00038 -0.00053 0.00016 -0.00042 -0.00171
|
|
96 5S -0.00010 -0.00008 -0.00020 -0.00139 0.00180
|
|
97 6S -0.00041 -0.00021 -0.00029 -0.00310 0.00287
|
|
98 7S 0.00255 -0.00466 0.00058 -0.00904 -0.00576
|
|
99 8PX 0.00001 -0.00004 -0.00002 -0.00032 0.00179
|
|
100 8PY 0.00216 -0.00358 0.00058 -0.00584 -0.00798
|
|
101 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
102 9PX -0.00004 0.00010 0.00005 0.00070 -0.00385
|
|
103 9PY -0.00454 0.00753 -0.00124 0.01235 0.01670
|
|
104 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
105 10PX -0.00012 0.00023 0.00003 0.00056 -0.00195
|
|
106 10PY -0.00199 0.00331 -0.00059 0.00564 0.00683
|
|
107 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
108 11PX 0.00003 0.00006 0.00023 0.00091 -0.00905
|
|
109 11PY -0.00907 0.01496 -0.00258 0.02487 0.03138
|
|
110 11PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
111 12PX 0.00047 -0.00065 0.00034 -0.00028 -0.00969
|
|
112 12PY -0.00898 0.01446 -0.00252 0.02376 0.02933
|
|
113 12PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
114 13PX -0.00045 0.00078 -0.00008 0.00154 -0.00064
|
|
115 13PY -0.00126 0.00203 -0.00041 0.00370 0.00333
|
|
116 13PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
117 14D 0 0.00069 -0.00108 0.00015 -0.00166 -0.00174
|
|
118 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
119 14D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
120 14D+2 0.00207 -0.00325 0.00054 -0.00500 -0.00720
|
|
121 14D-2 -0.00013 0.00020 -0.00005 0.00037 0.00046
|
|
122 15D 0 0.00097 -0.00157 0.00023 -0.00248 -0.00255
|
|
123 15D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
124 15D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
125 15D+2 0.00242 -0.00393 0.00066 -0.00617 -0.00955
|
|
126 15D-2 -0.00012 0.00020 -0.00005 0.00040 0.00075
|
|
127 16D 0 0.00028 -0.00048 0.00007 -0.00080 -0.00075
|
|
128 16D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
129 16D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
130 16D+2 0.00056 -0.00094 0.00016 -0.00153 -0.00248
|
|
131 16D-2 -0.00005 0.00007 -0.00002 0.00013 0.00026
|
|
132 17D 0 0.00015 -0.00024 0.00004 -0.00039 -0.00038
|
|
133 17D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
134 17D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
135 17D+2 0.00033 -0.00054 0.00009 -0.00085 -0.00136
|
|
136 17D-2 -0.00002 0.00003 -0.00001 0.00006 0.00012
|
|
137 18F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
138 18F+1 -0.00007 0.00011 -0.00002 0.00018 0.00033
|
|
139 18F-1 0.00029 -0.00044 0.00007 -0.00066 -0.00090
|
|
140 18F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
141 18F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
142 18F+3 0.00014 -0.00021 0.00003 -0.00033 -0.00041
|
|
143 18F-3 0.00032 -0.00049 0.00007 -0.00069 -0.00093
|
|
144 19F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
145 19F+1 -0.00009 0.00014 -0.00003 0.00022 0.00049
|
|
146 19F-1 0.00039 -0.00062 0.00010 -0.00096 -0.00129
|
|
147 19F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
148 19F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
149 19F+3 0.00010 -0.00016 0.00003 -0.00027 -0.00052
|
|
150 19F-3 0.00041 -0.00065 0.00010 -0.00098 -0.00127
|
|
151 20F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
152 20F+1 -0.00001 0.00002 0.00000 0.00002 0.00012
|
|
153 20F-1 0.00011 -0.00019 0.00003 -0.00030 -0.00042
|
|
154 20F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
155 20F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
156 20F+3 0.00001 -0.00001 0.00000 -0.00002 -0.00012
|
|
157 20F-3 0.00011 -0.00019 0.00003 -0.00031 -0.00038
|
|
158 21G 0 -0.00006 0.00010 -0.00001 0.00014 0.00017
|
|
159 21G+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
160 21G-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
161 21G+2 -0.00015 0.00024 -0.00004 0.00037 0.00054
|
|
162 21G-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
163 21G+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
164 21G-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
165 21G+4 -0.00007 0.00011 -0.00002 0.00016 0.00022
|
|
166 21G-4 0.00002 -0.00002 0.00000 -0.00003 0.00000
|
|
167 22G 0 -0.00002 0.00003 0.00000 0.00005 0.00005
|
|
168 22G+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
169 22G-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
170 22G+2 -0.00005 0.00007 -0.00001 0.00012 0.00018
|
|
171 22G-2 0.00000 0.00000 0.00000 0.00000 -0.00001
|
|
172 22G+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
173 22G-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
174 22G+4 -0.00003 0.00005 -0.00001 0.00008 0.00009
|
|
175 22G-4 -0.00001 0.00001 0.00000 0.00002 0.00004
|
|
176 23H 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
177 23H+1 0.00001 -0.00002 0.00000 -0.00002 -0.00005
|
|
178 23H-1 -0.00002 0.00003 -0.00001 0.00005 0.00008
|
|
179 23H+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
180 23H-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
181 23H+3 -0.00001 0.00001 0.00000 0.00002 0.00003
|
|
182 23H-3 -0.00002 0.00003 0.00000 0.00004 0.00006
|
|
183 23H+4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
184 23H-4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
185 23H+5 0.00001 -0.00002 0.00000 -0.00002 -0.00005
|
|
186 23H-5 -0.00002 0.00003 -0.00001 0.00006 0.00009
|
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405 15G+4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
406 15G-4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
386 387 388 389 390
|
|
386 13F-1 0.00000
|
|
387 13F+2 0.00000 0.00000
|
|
388 13F-2 0.00000 0.00000 0.00000
|
|
389 13F+3 0.00000 0.00000 0.00000 0.00000
|
|
390 13F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
391 14F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
392 14F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
393 14F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
394 14F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
395 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
396 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
397 14F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
398 15G 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
399 15G+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
400 15G-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
401 15G+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
402 15G-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
403 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
404 15G-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
405 15G+4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
406 15G-4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
391 392 393 394 395
|
|
391 14F 0 0.00000
|
|
392 14F+1 0.00000 0.00000
|
|
393 14F-1 0.00000 0.00000 0.00000
|
|
394 14F+2 0.00000 0.00000 0.00000 0.00000
|
|
395 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
396 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
397 14F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
398 15G 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
399 15G+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
400 15G-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
401 15G+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
402 15G-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
403 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
404 15G-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
405 15G+4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
406 15G-4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
396 397 398 399 400
|
|
396 14F+3 0.00000
|
|
397 14F-3 0.00000 0.00000
|
|
398 15G 0 0.00000 0.00000 0.00000
|
|
399 15G+1 0.00000 0.00000 0.00000 0.00000
|
|
400 15G-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
401 15G+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
402 15G-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
403 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
404 15G-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
405 15G+4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
406 15G-4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
401 402 403 404 405
|
|
401 15G+2 0.00000
|
|
402 15G-2 0.00000 0.00000
|
|
403 15G+3 0.00000 0.00000 0.00000
|
|
404 15G-3 0.00000 0.00000 0.00000 0.00000
|
|
405 15G+4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
406 15G-4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
406
|
|
406 15G-4 0.00000
|
|
Beta Density Matrix:
|
|
1 2 3 4 5
|
|
1 1 C 1S 0.33024
|
|
2 2S -0.25469 0.20474
|
|
3 3S 0.04696 -0.03692 0.00674
|
|
4 4S -0.02410 0.04130 -0.00536 0.06392
|
|
5 5S -0.03435 0.05782 -0.00757 0.08807 0.12259
|
|
6 6S -0.00616 0.01047 -0.00141 0.01631 0.02269
|
|
7 7PX -0.00003 0.00004 -0.00003 0.00031 0.00026
|
|
8 7PY -0.00102 0.00141 -0.00001 0.00118 0.00201
|
|
9 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
10 8PX -0.00004 0.00008 -0.00006 0.00055 0.00052
|
|
11 8PY -0.00085 0.00172 0.00011 0.00195 0.00333
|
|
12 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
13 9PX -0.00020 0.00033 -0.00011 0.00118 0.00091
|
|
14 9PY -0.00102 0.00154 0.00033 0.00043 0.00179
|
|
15 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
16 10PX -0.00038 0.00063 -0.00016 0.00150 0.00172
|
|
17 10PY -0.00106 0.00162 0.00017 0.00091 0.00261
|
|
18 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
19 11PX -0.00020 0.00034 -0.00007 0.00067 0.00082
|
|
20 11PY -0.00025 0.00040 0.00004 0.00028 0.00044
|
|
21 11PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
22 12D 0 -0.00006 0.00007 -0.00001 0.00007 0.00010
|
|
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 -0.00008 0.00010 -0.00001 0.00010 0.00014
|
|
26 12D-2 -0.00001 0.00002 0.00000 0.00002 0.00005
|
|
27 13D 0 -0.00002 0.00011 0.00000 0.00024 0.00033
|
|
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 -0.00002 0.00014 0.00001 0.00029 0.00040
|
|
31 13D-2 -0.00001 0.00003 -0.00001 0.00006 0.00016
|
|
32 14D 0 -0.00009 0.00013 0.00001 0.00010 0.00033
|
|
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 -0.00007 0.00009 0.00005 -0.00011 0.00002
|
|
36 14D-2 -0.00011 0.00017 -0.00003 0.00022 0.00064
|
|
37 15D 0 -0.00007 0.00011 -0.00001 0.00011 0.00033
|
|
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 -0.00035 0.00053 -0.00004 0.00063 0.00093
|
|
41 15D-2 0.00005 -0.00009 0.00001 -0.00017 -0.00005
|
|
42 16F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
43 16F+1 -0.00002 0.00008 -0.00001 0.00017 0.00024
|
|
44 16F-1 -0.00002 0.00006 -0.00001 0.00011 0.00016
|
|
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 -0.00003 0.00000 -0.00007 -0.00008
|
|
48 16F-3 -0.00003 0.00006 -0.00001 0.00011 0.00016
|
|
49 17F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
50 17F+1 -0.00024 0.00049 -0.00006 0.00084 0.00121
|
|
51 17F-1 -0.00016 0.00033 -0.00004 0.00059 0.00082
|
|
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 0.00008 -0.00017 0.00002 -0.00029 -0.00038
|
|
55 17F-3 -0.00016 0.00033 -0.00004 0.00059 0.00081
|
|
56 18F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
57 18F+1 -0.00042 0.00074 -0.00009 0.00111 0.00166
|
|
58 18F-1 -0.00034 0.00060 -0.00008 0.00094 0.00139
|
|
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 0.00015 -0.00027 0.00003 -0.00041 -0.00054
|
|
62 18F-3 -0.00027 0.00050 -0.00007 0.00082 0.00110
|
|
63 19G 0 0.00000 0.00000 0.00000 0.00001 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 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
67 19G-2 0.00000 0.00003 0.00000 0.00008 0.00011
|
|
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 0.00000 0.00001 0.00000 0.00002 0.00003
|
|
71 19G-4 0.00000 -0.00001 0.00000 -0.00003 -0.00004
|
|
72 20G 0 0.00000 0.00002 0.00000 0.00006 0.00008
|
|
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 -0.00002 0.00000 0.00002 0.00000
|
|
76 20G-2 -0.00014 0.00024 -0.00003 0.00035 0.00049
|
|
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 0.00000 0.00004 -0.00001 0.00011 0.00016
|
|
80 20G-4 0.00005 -0.00009 0.00001 -0.00012 -0.00019
|
|
81 21H 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
82 21H+1 0.00001 -0.00001 0.00000 0.00000 0.00000
|
|
83 21H-1 0.00000 0.00001 0.00000 0.00001 0.00002
|
|
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 -0.00001 -0.00002
|
|
87 21H-3 0.00000 0.00001 0.00000 0.00001 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 0.00001 0.00000 0.00001 0.00002
|
|
92 2 S 1S -0.00022 0.00028 -0.00009 0.00009 0.00113
|
|
93 2S 0.00030 -0.00038 0.00015 -0.00029 -0.00140
|
|
94 3S -0.00068 0.00074 -0.00035 -0.00004 0.00335
|
|
95 4S 0.00038 -0.00053 0.00016 -0.00042 -0.00171
|
|
96 5S -0.00010 -0.00008 -0.00020 -0.00139 0.00180
|
|
97 6S -0.00041 -0.00021 -0.00029 -0.00310 0.00287
|
|
98 7S 0.00255 -0.00466 0.00058 -0.00904 -0.00576
|
|
99 8PX 0.00001 -0.00004 -0.00002 -0.00032 0.00179
|
|
100 8PY 0.00216 -0.00358 0.00058 -0.00584 -0.00798
|
|
101 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
102 9PX -0.00004 0.00010 0.00005 0.00070 -0.00385
|
|
103 9PY -0.00454 0.00753 -0.00124 0.01235 0.01670
|
|
104 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
105 10PX -0.00012 0.00023 0.00003 0.00056 -0.00195
|
|
106 10PY -0.00199 0.00331 -0.00059 0.00564 0.00683
|
|
107 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
108 11PX 0.00003 0.00006 0.00023 0.00091 -0.00905
|
|
109 11PY -0.00907 0.01496 -0.00258 0.02487 0.03138
|
|
110 11PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
111 12PX 0.00047 -0.00065 0.00034 -0.00028 -0.00969
|
|
112 12PY -0.00898 0.01446 -0.00252 0.02376 0.02933
|
|
113 12PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
114 13PX -0.00045 0.00078 -0.00008 0.00154 -0.00064
|
|
115 13PY -0.00126 0.00203 -0.00041 0.00370 0.00333
|
|
116 13PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
117 14D 0 0.00069 -0.00108 0.00015 -0.00166 -0.00174
|
|
118 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
119 14D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
120 14D+2 0.00207 -0.00325 0.00054 -0.00500 -0.00720
|
|
121 14D-2 -0.00013 0.00020 -0.00005 0.00037 0.00046
|
|
122 15D 0 0.00097 -0.00157 0.00023 -0.00248 -0.00255
|
|
123 15D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
124 15D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
125 15D+2 0.00242 -0.00393 0.00066 -0.00617 -0.00955
|
|
126 15D-2 -0.00012 0.00020 -0.00005 0.00040 0.00075
|
|
127 16D 0 0.00028 -0.00048 0.00007 -0.00080 -0.00075
|
|
128 16D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
129 16D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
130 16D+2 0.00056 -0.00094 0.00016 -0.00153 -0.00248
|
|
131 16D-2 -0.00005 0.00007 -0.00002 0.00013 0.00026
|
|
132 17D 0 0.00015 -0.00024 0.00004 -0.00039 -0.00038
|
|
133 17D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
134 17D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
135 17D+2 0.00033 -0.00054 0.00009 -0.00085 -0.00136
|
|
136 17D-2 -0.00002 0.00003 -0.00001 0.00006 0.00012
|
|
137 18F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
138 18F+1 -0.00007 0.00011 -0.00002 0.00018 0.00033
|
|
139 18F-1 0.00029 -0.00044 0.00007 -0.00066 -0.00090
|
|
140 18F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
141 18F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
142 18F+3 0.00014 -0.00021 0.00003 -0.00033 -0.00041
|
|
143 18F-3 0.00032 -0.00049 0.00007 -0.00069 -0.00093
|
|
144 19F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
145 19F+1 -0.00009 0.00014 -0.00003 0.00022 0.00049
|
|
146 19F-1 0.00039 -0.00062 0.00010 -0.00096 -0.00129
|
|
147 19F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
148 19F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
149 19F+3 0.00010 -0.00016 0.00003 -0.00027 -0.00052
|
|
150 19F-3 0.00041 -0.00065 0.00010 -0.00098 -0.00127
|
|
151 20F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
152 20F+1 -0.00001 0.00002 0.00000 0.00002 0.00012
|
|
153 20F-1 0.00011 -0.00019 0.00003 -0.00030 -0.00042
|
|
154 20F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
155 20F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
156 20F+3 0.00001 -0.00001 0.00000 -0.00002 -0.00012
|
|
157 20F-3 0.00011 -0.00019 0.00003 -0.00031 -0.00038
|
|
158 21G 0 -0.00006 0.00010 -0.00001 0.00014 0.00017
|
|
159 21G+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
160 21G-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
161 21G+2 -0.00015 0.00024 -0.00004 0.00037 0.00054
|
|
162 21G-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
163 21G+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
164 21G-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
165 21G+4 -0.00007 0.00011 -0.00002 0.00016 0.00022
|
|
166 21G-4 0.00002 -0.00002 0.00000 -0.00003 0.00000
|
|
167 22G 0 -0.00002 0.00003 0.00000 0.00005 0.00005
|
|
168 22G+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
169 22G-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
170 22G+2 -0.00005 0.00007 -0.00001 0.00012 0.00018
|
|
171 22G-2 0.00000 0.00000 0.00000 0.00000 -0.00001
|
|
172 22G+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
173 22G-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
174 22G+4 -0.00003 0.00005 -0.00001 0.00008 0.00009
|
|
175 22G-4 -0.00001 0.00001 0.00000 0.00002 0.00004
|
|
176 23H 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
177 23H+1 0.00001 -0.00002 0.00000 -0.00002 -0.00005
|
|
178 23H-1 -0.00002 0.00003 -0.00001 0.00005 0.00008
|
|
179 23H+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
180 23H-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
181 23H+3 -0.00001 0.00001 0.00000 0.00002 0.00003
|
|
182 23H-3 -0.00002 0.00003 0.00000 0.00004 0.00006
|
|
183 23H+4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
184 23H-4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
185 23H+5 0.00001 -0.00002 0.00000 -0.00002 -0.00005
|
|
186 23H-5 -0.00002 0.00003 -0.00001 0.00006 0.00009
|
|
187 3 H 1S 0.00021 -0.00035 0.00009 -0.00054 -0.00200
|
|
188 2S 0.00059 -0.00097 0.00023 -0.00151 -0.00503
|
|
189 3S 0.00058 -0.00100 0.00033 -0.00151 -0.00852
|
|
190 4S -0.00036 0.00059 0.00012 0.00131 -0.00630
|
|
191 5S 0.00032 -0.00050 0.00015 -0.00079 -0.00263
|
|
192 6PX -0.00001 0.00001 0.00000 0.00002 0.00006
|
|
193 6PY -0.00001 0.00002 0.00000 0.00003 0.00004
|
|
194 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
195 7PX -0.00004 0.00006 -0.00001 0.00011 0.00023
|
|
196 7PY -0.00002 0.00004 -0.00001 0.00007 0.00006
|
|
197 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
198 8PX 0.00008 -0.00012 0.00001 -0.00018 0.00037
|
|
199 8PY -0.00027 0.00044 -0.00007 0.00071 0.00078
|
|
200 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
201 9PX 0.00037 -0.00060 0.00008 -0.00101 -0.00039
|
|
202 9PY -0.00028 0.00046 -0.00008 0.00078 0.00079
|
|
203 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
204 10D 0 0.00000 0.00000 0.00000 0.00001 0.00001
|
|
205 10D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
206 10D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
207 10D+2 0.00000 -0.00001 0.00000 -0.00001 -0.00002
|
|
208 10D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
209 11D 0 0.00002 -0.00003 0.00000 -0.00004 -0.00002
|
|
210 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
211 11D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
212 11D+2 0.00000 0.00000 0.00000 0.00000 -0.00004
|
|
213 11D-2 0.00004 -0.00006 0.00001 -0.00010 -0.00011
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399 15G+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
400 15G-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
401 15G+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
402 15G-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
403 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
404 15G-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
405 15G+4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
406 15G-4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
396 397 398 399 400
|
|
396 14F+3 0.00000
|
|
397 14F-3 0.00000 0.00000
|
|
398 15G 0 0.00000 0.00000 0.00000
|
|
399 15G+1 0.00000 0.00000 0.00000 0.00000
|
|
400 15G-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
401 15G+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
402 15G-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
403 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
404 15G-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
405 15G+4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
406 15G-4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
401 402 403 404 405
|
|
401 15G+2 0.00000
|
|
402 15G-2 0.00000 0.00000
|
|
403 15G+3 0.00000 0.00000 0.00000
|
|
404 15G-3 0.00000 0.00000 0.00000 0.00000
|
|
405 15G+4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
406 15G-4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
406
|
|
406 15G-4 0.00000
|
|
Full Mulliken population analysis:
|
|
1 2 3 4 5
|
|
1 1 C 1S 0.66047
|
|
2 2S 0.42333 0.40949
|
|
3 3S 0.04635 0.06104 0.01348
|
|
4 4S -0.01312 -0.04406 -0.00908 0.12783
|
|
5 5S -0.00993 -0.03520 -0.00848 0.15150 0.24518
|
|
6 6S -0.00092 -0.00338 -0.00090 0.01874 0.03899
|
|
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
|
|
40 15D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
41 15D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
42 16F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
43 16F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
44 16F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
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 0.00000 0.00000 0.00000 0.00000
|
|
48 16F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
49 17F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
50 17F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
51 17F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
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 0.00000 0.00000 0.00000 0.00000
|
|
55 17F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
56 18F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
57 18F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
58 18F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
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 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
62 18F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
63 19G 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
64 19G+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
65 19G-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
66 19G+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
67 19G-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
68 19G+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
69 19G-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
70 19G+4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
71 19G-4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
72 20G 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
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 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
76 20G-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
77 20G+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
78 20G-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
79 20G+4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
80 20G-4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
81 21H 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
82 21H+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
83 21H-1 0.00000 0.00000 0.00000 0.00000 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 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
87 21H-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
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 0.00000 0.00000
|
|
91 21H-5 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
92 2 S 1S 0.00000 0.00000 0.00000 0.00000 0.00001
|
|
93 2S 0.00000 0.00000 0.00000 0.00000 -0.00004
|
|
94 3S 0.00000 0.00000 0.00000 0.00000 -0.00017
|
|
95 4S 0.00000 0.00000 0.00000 0.00000 -0.00017
|
|
96 5S 0.00000 0.00000 0.00000 -0.00008 0.00041
|
|
97 6S -0.00001 0.00001 -0.00003 -0.00065 0.00131
|
|
98 7S 0.00011 0.00046 0.00012 -0.00362 -0.00413
|
|
99 8PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
100 8PY 0.00000 0.00000 0.00000 -0.00001 -0.00009
|
|
101 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
102 9PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
103 9PY 0.00000 0.00000 0.00000 -0.00005 -0.00061
|
|
104 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
105 10PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
106 10PY 0.00000 0.00000 0.00000 0.00022 0.00107
|
|
107 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
108 11PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
109 11PY -0.00007 -0.00033 -0.00017 0.00503 0.01311
|
|
110 11PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
111 12PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
112 12PY -0.00063 -0.00225 -0.00080 0.01430 0.02630
|
|
113 12PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
114 13PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
115 13PY -0.00012 -0.00041 -0.00017 0.00275 0.00378
|
|
116 13PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
117 14D 0 -0.00004 -0.00014 -0.00004 0.00067 0.00077
|
|
118 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
119 14D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
120 14D+2 -0.00022 -0.00074 -0.00023 0.00350 0.00552
|
|
121 14D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
122 15D 0 -0.00001 -0.00004 -0.00001 0.00036 0.00048
|
|
123 15D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
124 15D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
125 15D+2 -0.00004 -0.00016 -0.00007 0.00155 0.00309
|
|
126 15D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
127 16D 0 0.00000 0.00000 0.00000 0.00002 0.00004
|
|
128 16D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
129 16D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
130 16D+2 0.00000 0.00000 0.00000 0.00006 0.00021
|
|
131 16D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
132 17D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
133 17D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
134 17D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
135 17D+2 0.00000 0.00000 0.00000 0.00000 0.00003
|
|
136 17D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
137 18F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
138 18F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
139 18F-1 -0.00003 -0.00009 -0.00002 0.00032 0.00033
|
|
140 18F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
141 18F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
142 18F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
143 18F-3 -0.00004 -0.00012 -0.00003 0.00043 0.00044
|
|
144 19F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
145 19F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
146 19F-1 -0.00001 -0.00003 -0.00001 0.00020 0.00021
|
|
147 19F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
148 19F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
149 19F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
150 19F-3 -0.00001 -0.00004 -0.00001 0.00026 0.00026
|
|
151 20F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
152 20F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
153 20F-1 0.00000 0.00000 0.00000 0.00001 0.00002
|
|
154 20F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
155 20F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
156 20F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
157 20F-3 0.00000 0.00000 0.00000 0.00002 0.00002
|
|
158 21G 0 0.00000 -0.00001 0.00000 0.00002 0.00001
|
|
159 21G+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
160 21G-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
161 21G+2 -0.00001 -0.00003 -0.00001 0.00009 0.00006
|
|
162 21G-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
163 21G+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
164 21G-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
165 21G+4 0.00000 -0.00002 0.00000 0.00005 0.00003
|
|
166 21G-4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
167 22G 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
168 22G+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
169 22G-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
170 22G+2 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
171 22G-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
172 22G+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
173 22G-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
174 22G+4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
175 22G-4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
176 23H 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
177 23H+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
178 23H-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
179 23H+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
180 23H-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
181 23H+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
182 23H-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
183 23H+4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
184 23H-4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
185 23H+5 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
186 23H-5 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
187 3 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00001
|
|
188 2S 0.00000 0.00000 0.00000 0.00000 -0.00008
|
|
189 3S 0.00000 0.00000 0.00000 -0.00001 -0.00054
|
|
190 4S 0.00000 -0.00001 0.00000 0.00011 -0.00140
|
|
191 5S 0.00001 0.00003 0.00002 -0.00020 -0.00124
|
|
192 6PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
193 6PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
194 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
195 7PX 0.00000 0.00000 0.00000 0.00000 0.00000
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|
196 7PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
197 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
198 8PX 0.00000 0.00000 0.00000 0.00000 -0.00002
|
|
199 8PY 0.00000 0.00000 0.00000 0.00001 0.00005
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|
200 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
201 9PX 0.00000 -0.00001 0.00000 0.00008 0.00008
|
|
202 9PY 0.00000 -0.00001 0.00000 0.00009 0.00023
|
|
203 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
204 10D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
205 10D+1 0.00000 0.00000 0.00000 0.00000 0.00000
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|
206 10D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
207 10D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
208 10D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
209 11D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
210 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
211 11D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
212 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
213 11D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
214 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000
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|
215 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
216 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
217 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
218 12D-2 0.00000 0.00000 0.00000 0.00001 0.00004
|
|
219 13F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
220 13F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
221 13F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
222 13F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
223 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
224 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
225 13F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
226 14F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
227 14F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
228 14F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
229 14F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
230 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
231 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
232 14F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
233 15G 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
234 15G+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
235 15G-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
236 15G+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
237 15G-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
238 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
239 15G-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
240 15G+4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
241 15G-4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
242 4 H 1S 0.00000 0.00000 0.00000 0.00051 0.00152
|
|
243 2S -0.00003 -0.00018 -0.00008 0.00340 0.00816
|
|
244 3S -0.00060 -0.00226 -0.00057 0.01368 0.02791
|
|
245 4S -0.00067 -0.00241 -0.00055 0.01248 0.02442
|
|
246 5S -0.00002 -0.00009 0.00000 0.00040 0.00051
|
|
247 6PX 0.00000 0.00000 0.00000 0.00003 0.00003
|
|
248 6PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
249 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
250 7PX 0.00000 -0.00002 -0.00001 0.00024 0.00029
|
|
251 7PY 0.00000 0.00000 0.00000 0.00002 0.00002
|
|
252 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
253 8PX -0.00018 -0.00067 -0.00016 0.00294 0.00349
|
|
254 8PY -0.00001 -0.00005 -0.00002 0.00023 0.00026
|
|
255 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
256 9PX -0.00020 -0.00069 -0.00016 0.00281 0.00366
|
|
257 9PY -0.00002 -0.00007 -0.00002 0.00032 0.00038
|
|
258 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
259 10D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
260 10D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
261 10D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
262 10D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
263 10D-2 0.00000 0.00000 0.00000 0.00000 0.00000
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378 11D-2 0.00000 0.00000 0.00000 0.00000 0.00000
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|
379 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000
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380 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
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|
381 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
382 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000
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|
383 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
384 13F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
385 13F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
386 13F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
387 13F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
388 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
389 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
390 13F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
391 14F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
392 14F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
393 14F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
394 14F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
395 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
396 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
397 14F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
398 15G 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
399 15G+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
400 15G-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
401 15G+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
402 15G-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
403 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
404 15G-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
405 15G+4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
406 15G-4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
366 367 368 369 370
|
|
366 9PX 0.00043
|
|
367 9PY 0.00000 0.00019
|
|
368 9PZ 0.00000 0.00000 0.00103
|
|
369 10D 0 0.00000 0.00000 0.00000 0.00000
|
|
370 10D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
371 10D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
372 10D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
373 10D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
374 11D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
375 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
376 11D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
377 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
378 11D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
379 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
380 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
381 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
382 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
383 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
384 13F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
385 13F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
386 13F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
387 13F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
388 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
389 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
390 13F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
391 14F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
392 14F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
393 14F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
394 14F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
395 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
396 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
397 14F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
398 15G 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
399 15G+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
400 15G-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
401 15G+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
402 15G-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
403 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
404 15G-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
405 15G+4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
406 15G-4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
371 372 373 374 375
|
|
371 10D-1 0.00000
|
|
372 10D+2 0.00000 0.00000
|
|
373 10D-2 0.00000 0.00000 0.00000
|
|
374 11D 0 0.00000 0.00000 0.00000 0.00001
|
|
375 11D+1 0.00000 0.00000 0.00000 0.00000 0.00001
|
|
376 11D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
377 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
378 11D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
379 12D 0 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
380 12D+1 0.00000 0.00000 0.00000 0.00000 0.00002
|
|
381 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
382 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
383 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
384 13F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
385 13F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
386 13F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
387 13F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
388 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
389 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
390 13F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
391 14F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
392 14F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
393 14F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
394 14F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
395 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
396 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
397 14F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
398 15G 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
399 15G+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
400 15G-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
401 15G+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
402 15G-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
403 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
404 15G-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
405 15G+4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
406 15G-4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
376 377 378 379 380
|
|
376 11D-1 0.00001
|
|
377 11D+2 0.00000 0.00000
|
|
378 11D-2 0.00000 0.00000 0.00000
|
|
379 12D 0 0.00000 0.00000 0.00000 0.00004
|
|
380 12D+1 0.00000 0.00000 0.00000 0.00000 0.00005
|
|
381 12D-1 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
382 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
383 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
384 13F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
385 13F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
386 13F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
387 13F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
388 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
389 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
390 13F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
391 14F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
392 14F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
393 14F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
394 14F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
395 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
396 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
397 14F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
398 15G 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
399 15G+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
400 15G-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
401 15G+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
402 15G-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
403 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
404 15G-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
405 15G+4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
406 15G-4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
381 382 383 384 385
|
|
381 12D-1 0.00002
|
|
382 12D+2 0.00000 0.00001
|
|
383 12D-2 0.00000 0.00000 0.00001
|
|
384 13F 0 0.00000 0.00000 0.00000 0.00000
|
|
385 13F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
386 13F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
387 13F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
388 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
389 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
390 13F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
391 14F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
392 14F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
393 14F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
394 14F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
395 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
396 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
397 14F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
398 15G 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
399 15G+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
400 15G-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
401 15G+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
402 15G-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
403 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
404 15G-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
405 15G+4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
406 15G-4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
386 387 388 389 390
|
|
386 13F-1 0.00000
|
|
387 13F+2 0.00000 0.00000
|
|
388 13F-2 0.00000 0.00000 0.00000
|
|
389 13F+3 0.00000 0.00000 0.00000 0.00000
|
|
390 13F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
391 14F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
392 14F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
393 14F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
394 14F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
395 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
396 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
397 14F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
398 15G 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
399 15G+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
400 15G-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
401 15G+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
402 15G-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
403 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
404 15G-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
405 15G+4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
406 15G-4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
391 392 393 394 395
|
|
391 14F 0 0.00000
|
|
392 14F+1 0.00000 0.00000
|
|
393 14F-1 0.00000 0.00000 0.00000
|
|
394 14F+2 0.00000 0.00000 0.00000 0.00000
|
|
395 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
396 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
397 14F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
398 15G 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
399 15G+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
400 15G-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
401 15G+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
402 15G-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
403 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
404 15G-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
405 15G+4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
406 15G-4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
396 397 398 399 400
|
|
396 14F+3 0.00000
|
|
397 14F-3 0.00000 0.00000
|
|
398 15G 0 0.00000 0.00000 0.00000
|
|
399 15G+1 0.00000 0.00000 0.00000 0.00000
|
|
400 15G-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
401 15G+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
402 15G-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
403 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
404 15G-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
405 15G+4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
406 15G-4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
401 402 403 404 405
|
|
401 15G+2 0.00000
|
|
402 15G-2 0.00000 0.00000
|
|
403 15G+3 0.00000 0.00000 0.00000
|
|
404 15G-3 0.00000 0.00000 0.00000 0.00000
|
|
405 15G+4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
406 15G-4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
406
|
|
406 15G-4 0.00000
|
|
Gross orbital populations:
|
|
Total Alpha Beta Spin
|
|
1 1 C 1S 1.09960 0.54980 0.54980 0.00000
|
|
2 2S 0.78709 0.39354 0.39354 0.00000
|
|
3 3S 0.09593 0.04797 0.04797 0.00000
|
|
4 4S 0.37201 0.18600 0.18600 0.00000
|
|
5 5S 0.65353 0.32676 0.32676 0.00000
|
|
6 6S 0.09364 0.04682 0.04682 0.00000
|
|
7 7PX 0.06638 0.03319 0.03319 0.00000
|
|
8 7PY 0.05169 0.02584 0.02584 0.00000
|
|
9 7PZ 0.06680 0.03340 0.03340 0.00000
|
|
10 8PX 0.20504 0.10252 0.10252 0.00000
|
|
11 8PY 0.16029 0.08014 0.08014 0.00000
|
|
12 8PZ 0.20632 0.10316 0.10316 0.00000
|
|
13 9PX 0.40994 0.20497 0.20497 0.00000
|
|
14 9PY 0.37351 0.18676 0.18676 0.00000
|
|
15 9PZ 0.40732 0.20366 0.20366 0.00000
|
|
16 10PX 0.27360 0.13680 0.13680 0.00000
|
|
17 10PY 0.25800 0.12900 0.12900 0.00000
|
|
18 10PZ 0.27083 0.13542 0.13542 0.00000
|
|
19 11PX 0.04434 0.02217 0.02217 0.00000
|
|
20 11PY 0.02262 0.01131 0.01131 0.00000
|
|
21 11PZ 0.02795 0.01398 0.01398 0.00000
|
|
22 12D 0 0.00014 0.00007 0.00007 0.00000
|
|
23 12D+1 0.00013 0.00006 0.00006 0.00000
|
|
24 12D-1 0.00012 0.00006 0.00006 0.00000
|
|
25 12D+2 0.00015 0.00008 0.00008 0.00000
|
|
26 12D-2 0.00006 0.00003 0.00003 0.00000
|
|
27 13D 0 0.00173 0.00087 0.00087 0.00000
|
|
28 13D+1 0.00144 0.00072 0.00072 0.00000
|
|
29 13D-1 0.00167 0.00083 0.00083 0.00000
|
|
30 13D+2 0.00208 0.00104 0.00104 0.00000
|
|
31 13D-2 0.00082 0.00041 0.00041 0.00000
|
|
32 14D 0 0.01060 0.00530 0.00530 0.00000
|
|
33 14D+1 0.00677 0.00338 0.00338 0.00000
|
|
34 14D-1 0.00718 0.00359 0.00359 0.00000
|
|
35 14D+2 0.01476 0.00738 0.00738 0.00000
|
|
36 14D-2 0.00502 0.00251 0.00251 0.00000
|
|
37 15D 0 0.00492 0.00246 0.00246 0.00000
|
|
38 15D+1 0.00309 0.00155 0.00155 0.00000
|
|
39 15D-1 0.00500 0.00250 0.00250 0.00000
|
|
40 15D+2 0.00629 0.00315 0.00315 0.00000
|
|
41 15D-2 0.00560 0.00280 0.00280 0.00000
|
|
42 16F 0 0.00000 0.00000 0.00000 0.00000
|
|
43 16F+1 0.00004 0.00002 0.00002 0.00000
|
|
44 16F-1 0.00003 0.00001 0.00001 0.00000
|
|
45 16F+2 0.00000 0.00000 0.00000 0.00000
|
|
46 16F-2 0.00002 0.00001 0.00001 0.00000
|
|
47 16F+3 0.00001 0.00001 0.00001 0.00000
|
|
48 16F-3 0.00002 0.00001 0.00001 0.00000
|
|
49 17F 0 0.00014 0.00007 0.00007 0.00000
|
|
50 17F+1 0.00076 0.00038 0.00038 0.00000
|
|
51 17F-1 0.00040 0.00020 0.00020 0.00000
|
|
52 17F+2 0.00024 0.00012 0.00012 0.00000
|
|
53 17F-2 0.00016 0.00008 0.00008 0.00000
|
|
54 17F+3 0.00024 0.00012 0.00012 0.00000
|
|
55 17F-3 0.00042 0.00021 0.00021 0.00000
|
|
56 18F 0 0.00023 0.00012 0.00012 0.00000
|
|
57 18F+1 0.00180 0.00090 0.00090 0.00000
|
|
58 18F-1 0.00072 0.00036 0.00036 0.00000
|
|
59 18F+2 0.00113 0.00056 0.00056 0.00000
|
|
60 18F-2 0.00004 0.00002 0.00002 0.00000
|
|
61 18F+3 0.00073 0.00036 0.00036 0.00000
|
|
62 18F-3 0.00067 0.00033 0.00033 0.00000
|
|
63 19G 0 0.00001 0.00000 0.00000 0.00000
|
|
64 19G+1 0.00001 0.00001 0.00001 0.00000
|
|
65 19G-1 0.00001 0.00000 0.00000 0.00000
|
|
66 19G+2 0.00001 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 0.00000 0.00000 0.00000 0.00000
|
|
70 19G+4 0.00001 0.00000 0.00000 0.00000
|
|
71 19G-4 0.00001 0.00001 0.00001 0.00000
|
|
72 20G 0 0.00016 0.00008 0.00008 0.00000
|
|
73 20G+1 0.00024 0.00012 0.00012 0.00000
|
|
74 20G-1 0.00031 0.00016 0.00016 0.00000
|
|
75 20G+2 0.00027 0.00013 0.00013 0.00000
|
|
76 20G-2 0.00034 0.00017 0.00017 0.00000
|
|
77 20G+3 0.00001 0.00001 0.00001 0.00000
|
|
78 20G-3 0.00017 0.00009 0.00009 0.00000
|
|
79 20G+4 0.00022 0.00011 0.00011 0.00000
|
|
80 20G-4 0.00027 0.00014 0.00014 0.00000
|
|
81 21H 0 0.00000 0.00000 0.00000 0.00000
|
|
82 21H+1 0.00001 0.00000 0.00000 0.00000
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|
|
392 14F+1 0.00004 0.00002 0.00002 0.00000
|
|
393 14F-1 0.00003 0.00001 0.00001 0.00000
|
|
394 14F+2 0.00000 0.00000 0.00000 0.00000
|
|
395 14F-2 0.00002 0.00001 0.00001 0.00000
|
|
396 14F+3 0.00000 0.00000 0.00000 0.00000
|
|
397 14F-3 0.00001 0.00000 0.00000 0.00000
|
|
398 15G 0 0.00000 0.00000 0.00000 0.00000
|
|
399 15G+1 0.00000 0.00000 0.00000 0.00000
|
|
400 15G-1 0.00000 0.00000 0.00000 0.00000
|
|
401 15G+2 0.00000 0.00000 0.00000 0.00000
|
|
402 15G-2 0.00000 0.00000 0.00000 0.00000
|
|
403 15G+3 0.00000 0.00000 0.00000 0.00000
|
|
404 15G-3 0.00000 0.00000 0.00000 0.00000
|
|
405 15G+4 0.00000 0.00000 0.00000 0.00000
|
|
406 15G-4 0.00000 0.00000 0.00000 0.00000
|
|
Condensed to atoms (all electrons):
|
|
1 2 3 4 5 6
|
|
1 C 4.474983 0.303532 -0.011124 0.412478 0.427066 0.427066
|
|
2 S 0.303532 15.675403 0.306210 -0.033574 -0.043144 -0.043144
|
|
3 H -0.011124 0.306210 0.646050 0.006035 -0.005228 -0.005228
|
|
4 H 0.412478 -0.033574 0.006035 0.627874 -0.030054 -0.030054
|
|
5 H 0.427066 -0.043144 -0.005228 -0.030054 0.657674 -0.050665
|
|
6 H 0.427066 -0.043144 -0.005228 -0.030054 -0.050665 0.657674
|
|
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 S 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 -0.034002 0.000000
|
|
2 S -0.165282 0.000000
|
|
3 H 0.063286 0.000000
|
|
4 H 0.047296 0.000000
|
|
5 H 0.044351 0.000000
|
|
6 H 0.044351 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 0.101996 0.000000
|
|
2 S -0.101996 0.000000
|
|
Electronic spatial extent (au): <R**2>= 145.8808
|
|
Charge= 0.0000 electrons
|
|
Dipole moment (field-independent basis, Debye):
|
|
X= 0.7579 Y= 1.4846 Z= 0.0000 Tot= 1.6669
|
|
Quadrupole moment (field-independent basis, Debye-Ang):
|
|
XX= -19.3270 YY= -20.5462 ZZ= -22.7771
|
|
XY= -1.2944 XZ= 0.0000 YZ= 0.0000
|
|
Traceless Quadrupole moment (field-independent basis, Debye-Ang):
|
|
XX= 1.5564 YY= 0.3372 ZZ= -1.8936
|
|
XY= -1.2944 XZ= 0.0000 YZ= 0.0000
|
|
Octapole moment (field-independent basis, Debye-Ang**2):
|
|
XXX= 0.9024 YYY= 0.0703 ZZZ= 0.0000 XYY= 1.4388
|
|
XXY= -0.0007 XXZ= 0.0000 XZZ= 0.9260 YZZ= 2.8905
|
|
YYZ= 0.0000 XYZ= 0.0000
|
|
Hexadecapole moment (field-independent basis, Debye-Ang**3):
|
|
XXXX= -34.6939 YYYY= -136.5945 ZZZZ= -37.0634 XXXY= -0.8568
|
|
XXXZ= 0.0000 YYYX= 0.5946 YYYZ= 0.0000 ZZZX= 0.0000
|
|
ZZZY= 0.0000 XXYY= -27.8233 XXZZ= -12.8097 YYZZ= -29.3734
|
|
XXYZ= 0.0000 YYXZ= 0.0000 ZZXY= 1.6290
|
|
N-N= 5.604592445669D+01 E-N=-1.152273399662D+03 KE= 4.376628294047D+02
|
|
Symmetry A' KE= 3.970386205208D+02
|
|
Symmetry A" KE= 4.062420888389D+01
|
|
Orbital energies and kinetic energies (alpha):
|
|
1 2
|
|
1 O -91.952033 121.178943
|
|
2 O -11.258646 16.024856
|
|
3 O -8.953414 18.707421
|
|
4 O -6.634926 17.566564
|
|
5 O -6.634111 17.588367
|
|
6 O -6.633368 17.627247
|
|
7 O -1.033154 1.630837
|
|
8 O -0.866096 1.734479
|
|
9 O -0.606325 1.076202
|
|
10 O -0.591268 0.983292
|
|
11 O -0.526846 1.337325
|
|
12 O -0.458868 1.674316
|
|
13 O -0.357530 1.701566
|
|
14 V 0.086792 0.344109
|
|
15 V 0.109751 0.412157
|
|
16 V 0.136935 0.264886
|
|
17 V 0.137022 0.242656
|
|
18 V 0.170074 0.618065
|
|
19 V 0.200074 0.318978
|
|
20 V 0.213305 0.387467
|
|
21 V 0.220137 0.318618
|
|
22 V 0.240738 0.484447
|
|
23 V 0.276341 0.628970
|
|
24 V 0.303428 1.265583
|
|
25 V 0.353860 0.979927
|
|
26 V 0.376118 0.988672
|
|
27 V 0.394632 0.758445
|
|
28 V 0.404469 0.892136
|
|
29 V 0.416044 0.900000
|
|
30 V 0.430091 0.988301
|
|
31 V 0.431275 0.891397
|
|
32 V 0.456224 0.793197
|
|
33 V 0.507737 0.765054
|
|
34 V 0.574797 0.818520
|
|
35 V 0.595610 0.829795
|
|
36 V 0.603998 0.954065
|
|
37 V 0.628848 0.706066
|
|
38 V 0.638817 0.979541
|
|
39 V 0.661109 0.854634
|
|
40 V 0.683169 0.932225
|
|
41 V 0.703178 1.035216
|
|
42 V 0.735709 0.890757
|
|
43 V 0.740149 0.955071
|
|
44 V 0.760856 1.550063
|
|
45 V 0.771541 0.961566
|
|
46 V 0.805415 1.253393
|
|
47 V 0.888546 1.249749
|
|
48 V 0.889958 1.189816
|
|
49 V 0.914057 1.097408
|
|
50 V 0.950942 1.422482
|
|
51 V 0.952710 1.141469
|
|
52 V 0.984426 1.288331
|
|
53 V 1.014078 1.469428
|
|
54 V 1.024650 1.443035
|
|
55 V 1.030021 1.655022
|
|
56 V 1.056005 1.581884
|
|
57 V 1.060397 1.758968
|
|
58 V 1.080584 1.648085
|
|
59 V 1.108059 1.606685
|
|
60 V 1.149755 1.806041
|
|
61 V 1.155013 1.344323
|
|
62 V 1.181250 2.008832
|
|
63 V 1.227272 2.018674
|
|
64 V 1.241217 1.890700
|
|
65 V 1.245226 2.111749
|
|
66 V 1.309979 2.130454
|
|
67 V 1.332352 2.380705
|
|
68 V 1.340208 2.190174
|
|
69 V 1.365568 2.016910
|
|
70 V 1.375888 1.870243
|
|
71 V 1.421430 2.160933
|
|
72 V 1.461900 1.648312
|
|
73 V 1.516980 1.878865
|
|
74 V 1.521690 1.885087
|
|
75 V 1.565799 2.001018
|
|
76 V 1.573226 2.072162
|
|
77 V 1.593092 2.234055
|
|
78 V 1.631410 1.951333
|
|
79 V 1.648547 1.872124
|
|
80 V 1.689018 2.014377
|
|
81 V 1.698714 1.926202
|
|
82 V 1.761128 2.004807
|
|
83 V 1.762428 1.977784
|
|
84 V 1.818868 2.175786
|
|
85 V 1.847984 2.070745
|
|
86 V 1.876936 2.088669
|
|
87 V 1.884536 2.321693
|
|
88 V 1.904995 2.225676
|
|
89 V 1.925050 2.366548
|
|
90 V 1.935336 2.101016
|
|
91 V 1.983987 2.300257
|
|
92 V 1.987130 2.345934
|
|
93 V 2.014107 2.416615
|
|
94 V 2.111448 2.716297
|
|
95 V 2.112272 2.371054
|
|
96 V 2.116233 2.786710
|
|
97 V 2.143803 2.778828
|
|
98 V 2.147712 2.619763
|
|
99 V 2.213807 2.686741
|
|
100 V 2.238793 2.771675
|
|
101 V 2.262034 2.428902
|
|
102 V 2.282559 2.699311
|
|
103 V 2.313959 2.701186
|
|
104 V 2.337766 2.758920
|
|
105 V 2.361472 2.698571
|
|
106 V 2.370798 2.812181
|
|
107 V 2.400981 2.943073
|
|
108 V 2.408719 2.639916
|
|
109 V 2.470942 3.010772
|
|
110 V 2.474626 3.135098
|
|
111 V 2.496755 2.910429
|
|
112 V 2.523054 2.972436
|
|
113 V 2.533006 2.914475
|
|
114 V 2.535342 2.924368
|
|
115 V 2.571634 3.057215
|
|
116 V 2.597229 2.891619
|
|
117 V 2.634415 3.314115
|
|
118 V 2.678846 3.197972
|
|
119 V 2.748635 3.432135
|
|
120 V 2.766188 3.580261
|
|
121 V 2.778129 3.519233
|
|
122 V 2.818112 3.732957
|
|
123 V 2.830535 3.375151
|
|
124 V 2.847695 3.565309
|
|
125 V 2.856889 3.487431
|
|
126 V 2.884570 4.133115
|
|
127 V 2.949325 3.174684
|
|
128 V 2.968382 3.768687
|
|
129 V 2.986379 3.689847
|
|
130 V 3.046722 3.536776
|
|
131 V 3.078345 3.790731
|
|
132 V 3.143616 3.756563
|
|
133 V 3.216748 3.736547
|
|
134 V 3.268456 3.829356
|
|
135 V 3.293812 3.905901
|
|
136 V 3.350560 4.349717
|
|
137 V 3.399305 4.226246
|
|
138 V 3.504689 4.387612
|
|
139 V 3.550450 4.895374
|
|
140 V 3.593980 4.749559
|
|
141 V 3.697838 5.776275
|
|
142 V 3.736827 4.939607
|
|
143 V 3.744672 4.596388
|
|
144 V 3.766101 5.546813
|
|
145 V 3.766710 4.577809
|
|
146 V 3.800250 4.959110
|
|
147 V 3.834722 4.992653
|
|
148 V 3.853922 4.837063
|
|
149 V 3.872585 4.315840
|
|
150 V 3.949257 5.045056
|
|
151 V 3.967891 4.852633
|
|
152 V 3.972949 4.945289
|
|
153 V 3.984542 6.023529
|
|
154 V 4.071637 4.607470
|
|
155 V 4.118956 5.281048
|
|
156 V 4.138343 4.398086
|
|
157 V 4.145783 4.779169
|
|
158 V 4.170648 5.236567
|
|
159 V 4.172745 4.557932
|
|
160 V 4.175085 4.819648
|
|
161 V 4.259812 4.870878
|
|
162 V 4.321817 4.999687
|
|
163 V 4.345945 6.153294
|
|
164 V 4.372575 4.859242
|
|
165 V 4.424526 4.955940
|
|
166 V 4.471471 5.087387
|
|
167 V 4.495712 4.906169
|
|
168 V 4.518193 5.084106
|
|
169 V 4.616771 5.245714
|
|
170 V 4.654567 5.227768
|
|
171 V 4.667771 5.444087
|
|
172 V 4.712778 5.264206
|
|
173 V 4.713040 5.370507
|
|
174 V 4.746712 5.291135
|
|
175 V 4.756487 5.229977
|
|
176 V 4.785299 5.170230
|
|
177 V 4.799862 5.350828
|
|
178 V 4.806724 5.268585
|
|
179 V 4.855739 5.146395
|
|
180 V 4.883726 5.369842
|
|
181 V 4.901247 5.342764
|
|
182 V 4.949397 5.299201
|
|
183 V 4.971756 5.723477
|
|
184 V 4.998133 5.347213
|
|
185 V 5.036678 5.638284
|
|
186 V 5.079733 5.975906
|
|
187 V 5.103257 5.432365
|
|
188 V 5.114359 5.926082
|
|
189 V 5.137741 6.164599
|
|
190 V 5.175454 5.639964
|
|
191 V 5.186846 6.437473
|
|
192 V 5.217134 5.781396
|
|
193 V 5.222781 5.990036
|
|
194 V 5.266699 6.205434
|
|
195 V 5.286683 5.819036
|
|
196 V 5.291401 6.307089
|
|
197 V 5.350434 6.253723
|
|
198 V 5.360048 6.437299
|
|
199 V 5.431525 6.044912
|
|
200 V 5.448494 6.531980
|
|
201 V 5.462372 6.331386
|
|
202 V 5.491952 6.510565
|
|
203 V 5.524063 6.121622
|
|
204 V 5.524261 7.108968
|
|
205 V 5.562251 6.271230
|
|
206 V 5.571061 6.366578
|
|
207 V 5.619366 6.355710
|
|
208 V 5.646666 6.780283
|
|
209 V 5.696803 6.549917
|
|
210 V 5.727642 6.991511
|
|
211 V 5.742892 6.284968
|
|
212 V 5.757989 7.667675
|
|
213 V 5.779725 6.140047
|
|
214 V 5.828343 6.434261
|
|
215 V 5.835473 6.784609
|
|
216 V 5.859715 7.063027
|
|
217 V 5.908102 6.779844
|
|
218 V 5.955375 6.938175
|
|
219 V 5.985658 6.948487
|
|
220 V 6.054140 6.715864
|
|
221 V 6.061279 6.906126
|
|
222 V 6.090666 6.912050
|
|
223 V 6.101988 6.861579
|
|
224 V 6.139236 6.957138
|
|
225 V 6.141800 7.206123
|
|
226 V 6.185976 7.279945
|
|
227 V 6.202319 6.926161
|
|
228 V 6.221714 9.265831
|
|
229 V 6.295780 7.628383
|
|
230 V 6.377676 7.140406
|
|
231 V 6.381508 7.478702
|
|
232 V 6.422901 7.253516
|
|
233 V 6.423429 7.595401
|
|
234 V 6.493093 7.104047
|
|
235 V 6.577808 7.432456
|
|
236 V 6.589418 8.902789
|
|
237 V 6.635417 7.336044
|
|
238 V 6.755937 7.565425
|
|
239 V 6.836325 7.749228
|
|
240 V 6.854573 7.465632
|
|
241 V 6.887378 7.823823
|
|
242 V 6.995152 7.643753
|
|
243 V 7.064310 7.727790
|
|
244 V 7.099258 10.361424
|
|
245 V 7.159802 8.240722
|
|
246 V 7.193078 7.934348
|
|
247 V 7.206014 7.977688
|
|
248 V 7.468167 8.347562
|
|
249 V 7.479827 8.309878
|
|
250 V 7.591875 8.288840
|
|
251 V 7.632796 8.635466
|
|
252 V 7.647846 8.682506
|
|
253 V 7.651121 8.308407
|
|
254 V 7.663159 8.676130
|
|
255 V 7.682128 9.096815
|
|
256 V 7.825508 9.064369
|
|
257 V 8.150215 9.361626
|
|
258 V 8.174212 8.921400
|
|
259 V 8.182224 9.066241
|
|
260 V 9.015361 11.965824
|
|
261 V 9.106947 9.758121
|
|
262 V 9.109684 13.791500
|
|
263 V 9.236893 10.320110
|
|
264 V 9.300385 12.426269
|
|
265 V 9.413177 11.636270
|
|
266 V 9.527298 10.165910
|
|
267 V 9.545588 12.389896
|
|
268 V 9.599821 12.429947
|
|
269 V 9.608342 13.889202
|
|
270 V 9.693553 12.755949
|
|
271 V 9.751574 11.363945
|
|
272 V 9.861395 11.176777
|
|
273 V 9.887021 12.473731
|
|
274 V 9.990342 11.940592
|
|
275 V 10.033425 11.689118
|
|
276 V 10.060722 13.441405
|
|
277 V 10.184938 13.623301
|
|
278 V 10.352474 11.519345
|
|
279 V 10.384171 11.763849
|
|
280 V 10.415056 12.501315
|
|
281 V 10.464298 11.471814
|
|
282 V 10.495575 11.575496
|
|
283 V 10.518805 11.717125
|
|
284 V 10.773053 12.320537
|
|
285 V 10.791573 12.378605
|
|
286 V 10.930545 12.619363
|
|
287 V 11.069254 12.729365
|
|
288 V 11.122770 12.887793
|
|
289 V 11.175315 13.114182
|
|
290 V 11.493304 14.029526
|
|
291 V 11.499847 14.088948
|
|
292 V 11.545630 13.693827
|
|
293 V 11.573044 12.907392
|
|
294 V 11.603718 12.868921
|
|
295 V 11.803980 12.970124
|
|
296 V 11.879757 15.032831
|
|
297 V 12.569114 14.531976
|
|
298 V 12.576322 14.452191
|
|
299 V 12.614058 13.057364
|
|
300 V 12.629265 13.105973
|
|
301 V 12.652853 13.039739
|
|
302 V 12.678133 13.011729
|
|
303 V 12.679889 13.030586
|
|
304 V 12.728777 13.393219
|
|
305 V 12.735457 13.317019
|
|
306 V 12.748268 13.258407
|
|
307 V 12.754451 13.116839
|
|
308 V 12.763336 13.170008
|
|
309 V 12.777785 13.221920
|
|
310 V 12.801325 13.224865
|
|
311 V 12.818064 13.491502
|
|
312 V 12.898391 13.520845
|
|
313 V 12.912409 13.483692
|
|
314 V 12.934277 13.504109
|
|
315 V 12.936526 13.369168
|
|
316 V 12.954935 13.694810
|
|
317 V 12.967366 13.393899
|
|
318 V 12.993483 13.616281
|
|
319 V 13.001695 13.619536
|
|
320 V 13.057570 13.511235
|
|
321 V 13.098121 14.393055
|
|
322 V 13.121010 14.839695
|
|
323 V 13.144600 14.282393
|
|
324 V 13.199061 15.550922
|
|
325 V 13.310419 14.159062
|
|
326 V 13.355414 13.930722
|
|
327 V 13.366832 14.104736
|
|
328 V 13.421699 14.122307
|
|
329 V 13.434729 14.042153
|
|
330 V 13.453019 14.114238
|
|
331 V 13.559631 14.038354
|
|
332 V 13.560941 14.053042
|
|
333 V 13.594401 14.138780
|
|
334 V 13.674600 14.197322
|
|
335 V 13.740518 14.219512
|
|
336 V 13.770276 14.429320
|
|
337 V 13.870911 15.144818
|
|
338 V 13.915420 14.536764
|
|
339 V 13.927927 14.504455
|
|
340 V 13.943269 14.539313
|
|
341 V 13.999546 14.619908
|
|
342 V 14.057465 14.656214
|
|
343 V 14.057776 14.710331
|
|
344 V 14.094499 14.735743
|
|
345 V 14.117590 14.767633
|
|
346 V 14.118611 14.811176
|
|
347 V 14.152746 15.533096
|
|
348 V 14.209257 14.868028
|
|
349 V 14.243951 15.815757
|
|
350 V 14.299892 14.990103
|
|
351 V 14.309811 15.067436
|
|
352 V 14.330614 14.921393
|
|
353 V 14.349390 15.083316
|
|
354 V 14.406569 15.654842
|
|
355 V 14.416797 15.604583
|
|
356 V 14.460112 15.221201
|
|
357 V 14.504462 15.813727
|
|
358 V 14.574433 15.445107
|
|
359 V 14.584688 15.587880
|
|
360 V 14.725978 15.445356
|
|
361 V 14.761213 15.498208
|
|
362 V 14.852672 15.525948
|
|
363 V 14.878203 15.823181
|
|
364 V 14.879855 15.550503
|
|
365 V 14.911572 15.786850
|
|
366 V 15.050201 15.726960
|
|
367 V 15.145119 15.990607
|
|
368 V 15.282111 16.127064
|
|
369 V 15.467668 16.404207
|
|
370 V 15.472661 16.409791
|
|
371 V 15.668030 16.531604
|
|
372 V 15.808669 16.746183
|
|
373 V 15.847334 16.721835
|
|
374 V 15.868623 17.563225
|
|
375 V 16.046036 16.725676
|
|
376 V 16.048998 16.723667
|
|
377 V 16.360612 16.970487
|
|
378 V 16.501537 18.006203
|
|
379 V 16.878951 18.744206
|
|
380 V 16.883133 18.709014
|
|
381 V 17.271361 18.732218
|
|
382 V 17.449832 18.412834
|
|
383 V 17.476401 18.818959
|
|
384 V 17.553152 18.599127
|
|
385 V 17.602229 18.683596
|
|
386 V 17.800188 18.866463
|
|
387 V 17.935478 19.064326
|
|
388 V 17.972437 19.091660
|
|
389 V 18.230257 19.653456
|
|
390 V 18.317131 19.721978
|
|
391 V 18.357439 19.729237
|
|
392 V 18.429724 19.763896
|
|
393 V 18.494080 19.862358
|
|
394 V 18.617236 19.708185
|
|
395 V 18.774669 20.525802
|
|
396 V 18.913179 21.252763
|
|
397 V 18.954091 21.243253
|
|
398 V 19.085457 20.634015
|
|
399 V 20.775191 23.212295
|
|
400 V 20.841042 23.095174
|
|
401 V 20.875969 23.140068
|
|
402 V 25.022953 69.261785
|
|
403 V 26.888049 71.546957
|
|
404 V 27.835605 72.928365
|
|
405 V 42.198519 81.305149
|
|
406 V 69.421995 116.358263
|
|
Total kinetic energy from orbitals= 4.376628294047D+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 S(33) 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 S(33) 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
|
|
|
|
|
|
---------------------------------------------------------------------------------
|
|
|
|
No NMR shielding tensors so no spin-rotation constants.
|
|
Leave Link 601 at Thu Apr 4 00:58:29 2019, MaxMem= 13421772800 cpu: 47.7
|
|
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l9999.exe)
|
|
1\1\GINC-COMPUTE-3-5\SP\ROCCSD(T)-FC\CC-pV5Z\C1H4S1\LOOS\04-Apr-2019\0
|
|
\\#p ROCCSD(T) cc-pV5Z pop=full gfprint\\G2\\0,1\C\S,1,1.82939003\H,2,
|
|
1.34584251,1,97.1035912\H,1,1.09139903,2,106.02325623,3,180.,0\X,1,1.,
|
|
2,129.48465195,3,0.,0\H,1,1.09069821,5,55.21415843,2,90.,0\H,1,1.09069
|
|
821,5,55.21415843,2,-90.,0\\Version=ES64L-G09RevD.01\State=1-A'\HF=-43
|
|
7.7659453\MP2=-438.166832\MP3=-438.192922\PUHF=-437.7659453\PMP2-0=-43
|
|
8.166832\MP4SDQ=-438.1932802\CCSD=-438.19293\CCSD(T)=-438.2114296\RMSD
|
|
=1.862e-09\PG=CS [SG(C1H2S1),X(H2)]\\@
|
|
|
|
|
|
FORGIVE MY NONSENSE AS I ALSO FORGIVE THOSE WHO THINK THEY TALK SENSE
|
|
|
|
-- ROBERT FROST
|
|
Job cpu time: 4 days 13 hours 18 minutes 28.9 seconds.
|
|
File lengths (MBytes): RWF= 15123 Int= 0 D2E= 0 Chk= 14 Scr= 1
|
|
Normal termination of Gaussian 09 at Thu Apr 4 00:58:29 2019.
|