19633 lines
1.3 MiB
19633 lines
1.3 MiB
Entering Gaussian System, Link 0=g09
|
|
Input=CH3SH.inp
|
|
Output=CH3SH.out
|
|
Initial command:
|
|
/share/apps/gaussian/g09d01/nehalem/g09/l1.exe "/mnt/beegfs/tmpdir/42959/Gau-119373.inp" -scrdir="/mnt/beegfs/tmpdir/42959/"
|
|
Entering Link 1 = /share/apps/gaussian/g09d01/nehalem/g09/l1.exe PID= 119374.
|
|
|
|
Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2013,
|
|
Gaussian, Inc. All Rights Reserved.
|
|
|
|
This is part of the Gaussian(R) 09 program. It is based on
|
|
the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
|
|
the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
|
|
the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
|
|
the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
|
|
the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
|
|
the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
|
|
the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
|
|
University), and the Gaussian 82(TM) system (copyright 1983,
|
|
Carnegie Mellon University). Gaussian is a federally registered
|
|
trademark of Gaussian, Inc.
|
|
|
|
This software contains proprietary and confidential information,
|
|
including trade secrets, belonging to Gaussian, Inc.
|
|
|
|
This software is provided under written license and may be
|
|
used, copied, transmitted, or stored only in accord with that
|
|
written license.
|
|
|
|
The following legend is applicable only to US Government
|
|
contracts under FAR:
|
|
|
|
RESTRICTED RIGHTS LEGEND
|
|
|
|
Use, reproduction and disclosure by the US Government is
|
|
subject to restrictions as set forth in subparagraphs (a)
|
|
and (c) of the Commercial Computer Software - Restricted
|
|
Rights clause in FAR 52.227-19.
|
|
|
|
Gaussian, Inc.
|
|
340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
|
|
|
|
|
|
---------------------------------------------------------------
|
|
Warning -- This program may not be used in any manner that
|
|
competes with the business of Gaussian, Inc. or will provide
|
|
assistance to any competitor of Gaussian, Inc. The licensee
|
|
of this program is prohibited from giving any competitor of
|
|
Gaussian, Inc. access to this program. By using this program,
|
|
the user acknowledges that Gaussian, Inc. is engaged in the
|
|
business of creating and licensing software in the field of
|
|
computational chemistry and represents and warrants to the
|
|
licensee that it is not a competitor of Gaussian, Inc. and that
|
|
it will not use this program in any manner prohibited above.
|
|
---------------------------------------------------------------
|
|
|
|
|
|
Cite this work as:
|
|
Gaussian 09, Revision D.01,
|
|
M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria,
|
|
M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci,
|
|
G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian,
|
|
A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada,
|
|
M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima,
|
|
Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery, Jr.,
|
|
J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers,
|
|
K. N. Kudin, V. N. Staroverov, T. Keith, R. Kobayashi, J. Normand,
|
|
K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi,
|
|
M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, J. B. Cross,
|
|
V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann,
|
|
O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski,
|
|
R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth,
|
|
P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels,
|
|
O. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski,
|
|
and D. J. Fox, Gaussian, Inc., Wallingford CT, 2013.
|
|
|
|
******************************************
|
|
Gaussian 09: ES64L-G09RevD.01 24-Apr-2013
|
|
4-Apr-2019
|
|
******************************************
|
|
%nproc=24
|
|
Will use up to 24 processors via shared memory.
|
|
%mem=100GB
|
|
-----------------------------------------
|
|
#p ROCCSD(T) aug-cc-pVTZ pop=full gfprint
|
|
-----------------------------------------
|
|
1/38=1/1;
|
|
2/12=2,17=6,18=5,40=1/2;
|
|
3/5=16,6=1,7=10,11=2,16=1,24=100,25=1,30=1,116=101/1,2,3;
|
|
4//1;
|
|
5/5=2,38=5/2;
|
|
8/5=-1,6=4,9=120000,10=1/1,4;
|
|
9/5=7,14=2/13;
|
|
6/7=3/1;
|
|
99/5=1,9=1/99;
|
|
Leave Link 1 at Thu Apr 4 22:44:28 2019, MaxMem= 13421772800 cpu: 2.3
|
|
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l101.exe)
|
|
--
|
|
G2
|
|
--
|
|
Symbolic Z-matrix:
|
|
Charge = 0 Multiplicity = 1
|
|
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
|
|
CHB 1.0907
|
|
CSH 97.10359
|
|
HACS 106.02326
|
|
XCS 129.48465
|
|
HALF 55.21416
|
|
|
|
NAtoms= 6 NQM= 6 NQMF= 0 NMMI= 0 NMMIF= 0
|
|
NMic= 0 NMicF= 0.
|
|
Isotopes and Nuclear Properties:
|
|
(Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
|
|
in nuclear magnetons)
|
|
|
|
Atom 1 2 3 4 5 6
|
|
IAtWgt= 12 32 1 1 1 1
|
|
AtmWgt= 12.0000000 31.9720718 1.0078250 1.0078250 1.0078250 1.0078250
|
|
NucSpn= 0 0 1 1 1 1
|
|
AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
|
|
NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
|
|
NMagM= 0.0000000 0.0000000 2.7928460 2.7928460 2.7928460 2.7928460
|
|
AtZNuc= 6.0000000 16.0000000 1.0000000 1.0000000 1.0000000 1.0000000
|
|
Leave Link 101 at Thu Apr 4 22:44:28 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 Thu Apr 4 22:44:28 2019, MaxMem= 13421772800 cpu: 0.3
|
|
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l301.exe)
|
|
Standard basis: Aug-CC-pVTZ (5D, 7F)
|
|
Ernie: Thresh= 0.10000D-02 Tol= 0.10000D-05 Strict=F.
|
|
Ernie: 16 primitive shells out of 138 were deleted.
|
|
AO basis set (Overlap normalization):
|
|
Atom C1 Shell 1 S 7 bf 1 - 1 -0.090635670085 2.193060453655 0.000000000000
|
|
0.8236000000D+04 0.5419783203D-03
|
|
0.1235000000D+04 0.4192873817D-02
|
|
0.2808000000D+03 0.2152216205D-01
|
|
0.7927000000D+02 0.8353432195D-01
|
|
0.2559000000D+02 0.2395828457D+00
|
|
0.8997000000D+01 0.4428528419D+00
|
|
0.3319000000D+01 0.3517995618D+00
|
|
Atom C1 Shell 2 S 6 bf 2 - 2 -0.090635670085 2.193060453655 0.000000000000
|
|
0.2808000000D+03 -0.5949224937D-04
|
|
0.7927000000D+02 -0.1148158310D-02
|
|
0.2559000000D+02 -0.1001913745D-01
|
|
0.8997000000D+01 -0.6121949230D-01
|
|
0.3319000000D+01 -0.1732698541D+00
|
|
0.3643000000D+00 0.1072915192D+01
|
|
Atom C1 Shell 3 S 1 bf 3 - 3 -0.090635670085 2.193060453655 0.000000000000
|
|
0.9059000000D+00 0.1000000000D+01
|
|
Atom C1 Shell 4 S 1 bf 4 - 4 -0.090635670085 2.193060453655 0.000000000000
|
|
0.1285000000D+00 0.1000000000D+01
|
|
Atom C1 Shell 5 S 1 bf 5 - 5 -0.090635670085 2.193060453655 0.000000000000
|
|
0.4402000000D-01 0.1000000000D+01
|
|
Atom C1 Shell 6 P 3 bf 6 - 8 -0.090635670085 2.193060453655 0.000000000000
|
|
0.1871000000D+02 0.3942638716D-01
|
|
0.4133000000D+01 0.2440889849D+00
|
|
0.1200000000D+01 0.8154920089D+00
|
|
Atom C1 Shell 7 P 1 bf 9 - 11 -0.090635670085 2.193060453655 0.000000000000
|
|
0.3827000000D+00 0.1000000000D+01
|
|
Atom C1 Shell 8 P 1 bf 12 - 14 -0.090635670085 2.193060453655 0.000000000000
|
|
0.1209000000D+00 0.1000000000D+01
|
|
Atom C1 Shell 9 P 1 bf 15 - 17 -0.090635670085 2.193060453655 0.000000000000
|
|
0.3569000000D-01 0.1000000000D+01
|
|
Atom C1 Shell 10 D 1 bf 18 - 22 -0.090635670085 2.193060453655 0.000000000000
|
|
0.1097000000D+01 0.1000000000D+01
|
|
Atom C1 Shell 11 D 1 bf 23 - 27 -0.090635670085 2.193060453655 0.000000000000
|
|
0.3180000000D+00 0.1000000000D+01
|
|
Atom C1 Shell 12 D 1 bf 28 - 32 -0.090635670085 2.193060453655 0.000000000000
|
|
0.1000000000D+00 0.1000000000D+01
|
|
Atom C1 Shell 13 F 1 bf 33 - 39 -0.090635670085 2.193060453655 0.000000000000
|
|
0.7610000000D+00 0.1000000000D+01
|
|
Atom C1 Shell 14 F 1 bf 40 - 46 -0.090635670085 2.193060453655 0.000000000000
|
|
0.2680000000D+00 0.1000000000D+01
|
|
Atom S2 Shell 15 S 11 bf 47 - 47 -0.090635670085 -1.263985693276 0.000000000000
|
|
0.3741000000D+06 0.5425113228D-04
|
|
0.5605000000D+05 0.4211790315D-03
|
|
0.1276000000D+05 0.2208660086D-02
|
|
0.3615000000D+04 0.9199598750D-02
|
|
0.1183000000D+04 0.3213735190D-01
|
|
0.4288000000D+03 0.9474510879D-01
|
|
0.1678000000D+03 0.2238325198D+00
|
|
0.6947000000D+02 0.3748153925D+00
|
|
0.2984000000D+02 0.3296923919D+00
|
|
0.1272000000D+02 0.8466651172D-01
|
|
0.5244000000D+01 -0.1203631365D-02
|
|
Atom S2 Shell 16 S 9 bf 48 - 48 -0.090635670085 -1.263985693276 0.000000000000
|
|
0.3615000000D+04 -0.6417861173D-05
|
|
0.1183000000D+04 -0.1906784738D-03
|
|
0.4288000000D+03 -0.1488973130D-02
|
|
0.1678000000D+03 -0.1015373592D-01
|
|
0.6947000000D+02 -0.4321086128D-01
|
|
0.2984000000D+02 -0.1051992395D+00
|
|
0.1272000000D+02 0.3204684289D-01
|
|
0.5244000000D+01 0.5225213045D+00
|
|
0.2219000000D+01 0.5465588535D+00
|
|
Atom S2 Shell 17 S 8 bf 49 - 49 -0.090635670085 -1.263985693276 0.000000000000
|
|
0.1183000000D+04 0.4301058736D-05
|
|
0.1678000000D+03 0.2119665796D-03
|
|
0.6947000000D+02 0.8527390273D-03
|
|
0.2984000000D+02 0.4419341710D-02
|
|
0.1272000000D+02 -0.1086181378D-02
|
|
0.5244000000D+01 -0.7362011711D-01
|
|
0.2219000000D+01 -0.3499851706D+00
|
|
0.3490000000D+00 0.1160022394D+01
|
|
Atom S2 Shell 18 S 1 bf 50 - 50 -0.090635670085 -1.263985693276 0.000000000000
|
|
0.7767000000D+00 0.1000000000D+01
|
|
Atom S2 Shell 19 S 1 bf 51 - 51 -0.090635670085 -1.263985693276 0.000000000000
|
|
0.1322000000D+00 0.1000000000D+01
|
|
Atom S2 Shell 20 S 1 bf 52 - 52 -0.090635670085 -1.263985693276 0.000000000000
|
|
0.4970000000D-01 0.1000000000D+01
|
|
Atom S2 Shell 21 P 6 bf 53 - 55 -0.090635670085 -1.263985693276 0.000000000000
|
|
0.5744000000D+03 0.2495012134D-02
|
|
0.1358000000D+03 0.1985550782D-01
|
|
0.4319000000D+02 0.9117959218D-01
|
|
0.1587000000D+02 0.2622309055D+00
|
|
0.6208000000D+01 0.4468316811D+00
|
|
0.2483000000D+01 0.3655010168D+00
|
|
Atom S2 Shell 22 P 6 bf 56 - 58 -0.090635670085 -1.263985693276 0.000000000000
|
|
0.1358000000D+03 -0.7091748681D-05
|
|
0.4319000000D+02 -0.1065836619D-02
|
|
0.1587000000D+02 -0.5910788532D-02
|
|
0.6208000000D+01 -0.2268816359D-01
|
|
0.2483000000D+01 -0.1079400613D-01
|
|
0.3229000000D+00 0.1005933734D+01
|
|
Atom S2 Shell 23 P 1 bf 59 - 61 -0.090635670085 -1.263985693276 0.000000000000
|
|
0.8688000000D+00 0.1000000000D+01
|
|
Atom S2 Shell 24 P 1 bf 62 - 64 -0.090635670085 -1.263985693276 0.000000000000
|
|
0.1098000000D+00 0.1000000000D+01
|
|
Atom S2 Shell 25 P 1 bf 65 - 67 -0.090635670085 -1.263985693276 0.000000000000
|
|
0.3510000000D-01 0.1000000000D+01
|
|
Atom S2 Shell 26 D 1 bf 68 - 72 -0.090635670085 -1.263985693276 0.000000000000
|
|
0.2690000000D+00 0.1000000000D+01
|
|
Atom S2 Shell 27 D 1 bf 73 - 77 -0.090635670085 -1.263985693276 0.000000000000
|
|
0.8190000000D+00 0.1000000000D+01
|
|
Atom S2 Shell 28 D 1 bf 78 - 82 -0.090635670085 -1.263985693276 0.000000000000
|
|
0.1010000000D+00 0.1000000000D+01
|
|
Atom S2 Shell 29 F 1 bf 83 - 89 -0.090635670085 -1.263985693276 0.000000000000
|
|
0.5570000000D+00 0.1000000000D+01
|
|
Atom S2 Shell 30 F 1 bf 90 - 96 -0.090635670085 -1.263985693276 0.000000000000
|
|
0.2180000000D+00 0.1000000000D+01
|
|
Atom H3 Shell 31 S 3 bf 97 - 97 2.433116402610 -1.578496271018 0.000000000000
|
|
0.3387000000D+02 0.2549486323D-01
|
|
0.5095000000D+01 0.1903627659D+00
|
|
0.1159000000D+01 0.8521620222D+00
|
|
Atom H3 Shell 32 S 1 bf 98 - 98 2.433116402610 -1.578496271018 0.000000000000
|
|
0.3258000000D+00 0.1000000000D+01
|
|
Atom H3 Shell 33 S 1 bf 99 - 99 2.433116402610 -1.578496271018 0.000000000000
|
|
0.1027000000D+00 0.1000000000D+01
|
|
Atom H3 Shell 34 S 1 bf 100 - 100 2.433116402610 -1.578496271018 0.000000000000
|
|
0.2526000000D-01 0.1000000000D+01
|
|
Atom H3 Shell 35 P 1 bf 101 - 103 2.433116402610 -1.578496271018 0.000000000000
|
|
0.1407000000D+01 0.1000000000D+01
|
|
Atom H3 Shell 36 P 1 bf 104 - 106 2.433116402610 -1.578496271018 0.000000000000
|
|
0.3880000000D+00 0.1000000000D+01
|
|
Atom H3 Shell 37 P 1 bf 107 - 109 2.433116402610 -1.578496271018 0.000000000000
|
|
0.1020000000D+00 0.1000000000D+01
|
|
Atom H3 Shell 38 D 1 bf 110 - 114 2.433116402610 -1.578496271018 0.000000000000
|
|
0.1057000000D+01 0.1000000000D+01
|
|
Atom H3 Shell 39 D 1 bf 115 - 119 2.433116402610 -1.578496271018 0.000000000000
|
|
0.2470000000D+00 0.1000000000D+01
|
|
Atom H4 Shell 40 S 3 bf 120 - 120 -2.072954395657 2.762352079608 0.000000000000
|
|
0.3387000000D+02 0.2549486323D-01
|
|
0.5095000000D+01 0.1903627659D+00
|
|
0.1159000000D+01 0.8521620222D+00
|
|
Atom H4 Shell 41 S 1 bf 121 - 121 -2.072954395657 2.762352079608 0.000000000000
|
|
0.3258000000D+00 0.1000000000D+01
|
|
Atom H4 Shell 42 S 1 bf 122 - 122 -2.072954395657 2.762352079608 0.000000000000
|
|
0.1027000000D+00 0.1000000000D+01
|
|
Atom H4 Shell 43 S 1 bf 123 - 123 -2.072954395657 2.762352079608 0.000000000000
|
|
0.2526000000D-01 0.1000000000D+01
|
|
Atom H4 Shell 44 P 1 bf 124 - 126 -2.072954395657 2.762352079608 0.000000000000
|
|
0.1407000000D+01 0.1000000000D+01
|
|
Atom H4 Shell 45 P 1 bf 127 - 129 -2.072954395657 2.762352079608 0.000000000000
|
|
0.3880000000D+00 0.1000000000D+01
|
|
Atom H4 Shell 46 P 1 bf 130 - 132 -2.072954395657 2.762352079608 0.000000000000
|
|
0.1020000000D+00 0.1000000000D+01
|
|
Atom H4 Shell 47 D 1 bf 133 - 137 -2.072954395657 2.762352079608 0.000000000000
|
|
0.1057000000D+01 0.1000000000D+01
|
|
Atom H4 Shell 48 D 1 bf 138 - 142 -2.072954395657 2.762352079608 0.000000000000
|
|
0.2470000000D+00 0.1000000000D+01
|
|
Atom H5 Shell 49 S 3 bf 143 - 143 0.816911367463 2.940776280946 1.692778433249
|
|
0.3387000000D+02 0.2549486323D-01
|
|
0.5095000000D+01 0.1903627659D+00
|
|
0.1159000000D+01 0.8521620222D+00
|
|
Atom H5 Shell 50 S 1 bf 144 - 144 0.816911367463 2.940776280946 1.692778433249
|
|
0.3258000000D+00 0.1000000000D+01
|
|
Atom H5 Shell 51 S 1 bf 145 - 145 0.816911367463 2.940776280946 1.692778433249
|
|
0.1027000000D+00 0.1000000000D+01
|
|
Atom H5 Shell 52 S 1 bf 146 - 146 0.816911367463 2.940776280946 1.692778433249
|
|
0.2526000000D-01 0.1000000000D+01
|
|
Atom H5 Shell 53 P 1 bf 147 - 149 0.816911367463 2.940776280946 1.692778433249
|
|
0.1407000000D+01 0.1000000000D+01
|
|
Atom H5 Shell 54 P 1 bf 150 - 152 0.816911367463 2.940776280946 1.692778433249
|
|
0.3880000000D+00 0.1000000000D+01
|
|
Atom H5 Shell 55 P 1 bf 153 - 155 0.816911367463 2.940776280946 1.692778433249
|
|
0.1020000000D+00 0.1000000000D+01
|
|
Atom H5 Shell 56 D 1 bf 156 - 160 0.816911367463 2.940776280946 1.692778433249
|
|
0.1057000000D+01 0.1000000000D+01
|
|
Atom H5 Shell 57 D 1 bf 161 - 165 0.816911367463 2.940776280946 1.692778433249
|
|
0.2470000000D+00 0.1000000000D+01
|
|
Atom H6 Shell 58 S 3 bf 166 - 166 0.816911367463 2.940776280946 -1.692778433249
|
|
0.3387000000D+02 0.2549486323D-01
|
|
0.5095000000D+01 0.1903627659D+00
|
|
0.1159000000D+01 0.8521620222D+00
|
|
Atom H6 Shell 59 S 1 bf 167 - 167 0.816911367463 2.940776280946 -1.692778433249
|
|
0.3258000000D+00 0.1000000000D+01
|
|
Atom H6 Shell 60 S 1 bf 168 - 168 0.816911367463 2.940776280946 -1.692778433249
|
|
0.1027000000D+00 0.1000000000D+01
|
|
Atom H6 Shell 61 S 1 bf 169 - 169 0.816911367463 2.940776280946 -1.692778433249
|
|
0.2526000000D-01 0.1000000000D+01
|
|
Atom H6 Shell 62 P 1 bf 170 - 172 0.816911367463 2.940776280946 -1.692778433249
|
|
0.1407000000D+01 0.1000000000D+01
|
|
Atom H6 Shell 63 P 1 bf 173 - 175 0.816911367463 2.940776280946 -1.692778433249
|
|
0.3880000000D+00 0.1000000000D+01
|
|
Atom H6 Shell 64 P 1 bf 176 - 178 0.816911367463 2.940776280946 -1.692778433249
|
|
0.1020000000D+00 0.1000000000D+01
|
|
Atom H6 Shell 65 D 1 bf 179 - 183 0.816911367463 2.940776280946 -1.692778433249
|
|
0.1057000000D+01 0.1000000000D+01
|
|
Atom H6 Shell 66 D 1 bf 184 - 188 0.816911367463 2.940776280946 -1.692778433249
|
|
0.2470000000D+00 0.1000000000D+01
|
|
There are 138 symmetry adapted cartesian basis functions of A' symmetry.
|
|
There are 76 symmetry adapted cartesian basis functions of A" symmetry.
|
|
There are 118 symmetry adapted basis functions of A' symmetry.
|
|
There are 70 symmetry adapted basis functions of A" symmetry.
|
|
188 basis functions, 294 primitive gaussians, 214 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 Thu Apr 4 22:44:28 2019, MaxMem= 13421772800 cpu: 1.2
|
|
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l302.exe)
|
|
NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1
|
|
NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0.
|
|
One-electron integrals computed using PRISM.
|
|
One-electron integral symmetry used in STVInt
|
|
NBasis= 188 RedAO= T EigKep= 8.04D-05 NBF= 118 70
|
|
NBsUse= 188 1.00D-06 EigRej= -1.00D+00 NBFU= 118 70
|
|
Leave Link 302 at Thu Apr 4 22:44:29 2019, MaxMem= 13421772800 cpu: 5.4
|
|
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l303.exe)
|
|
DipDrv: MaxL=1.
|
|
Leave Link 303 at Thu Apr 4 22:44:29 2019, MaxMem= 13421772800 cpu: 1.1
|
|
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l401.exe)
|
|
ExpMin= 2.53D-02 ExpMax= 3.74D+05 ExpMxC= 1.18D+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= -437.526780576688
|
|
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')
|
|
The electronic state of the initial guess is 1-A'.
|
|
Leave Link 401 at Thu Apr 4 22:44:29 2019, MaxMem= 13421772800 cpu: 8.9
|
|
(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=238114873.
|
|
IVT= 162882 IEndB= 162882 NGot= 13421772800 MDV= 13262962817
|
|
LenX= 13262962817 LenY= 13262916580
|
|
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= 17766 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0
|
|
Petite list used in FoFCou.
|
|
|
|
Cycle 1 Pass 1 IDiag 1:
|
|
E= -437.637397614644
|
|
DIIS: error= 3.06D-02 at cycle 1 NSaved= 1.
|
|
NSaved= 1 IEnMin= 1 EnMin= -437.637397614644 IErMin= 1 ErrMin= 3.06D-02
|
|
ErrMax= 3.06D-02 0.00D+00 EMaxC= 1.00D-01 BMatC= 2.43D-01 BMatP= 2.43D-01
|
|
IDIUse=3 WtCom= 6.94D-01 WtEn= 3.06D-01
|
|
Coeff-Com: 0.100D+01
|
|
Coeff-En: 0.100D+01
|
|
Coeff: 0.100D+01
|
|
Gap= 0.481 Goal= None Shift= 0.000
|
|
GapD= 0.481 DampG=2.000 DampE=0.500 DampFc=1.0000 IDamp=-1.
|
|
RMSDP=1.86D-03 MaxDP=7.68D-02 OVMax= 1.31D-01
|
|
|
|
Cycle 2 Pass 1 IDiag 1:
|
|
E= -437.734819907231 Delta-E= -0.097422292587 Rises=F Damp=F
|
|
DIIS: error= 1.15D-02 at cycle 2 NSaved= 2.
|
|
NSaved= 2 IEnMin= 2 EnMin= -437.734819907231 IErMin= 2 ErrMin= 1.15D-02
|
|
ErrMax= 1.15D-02 0.00D+00 EMaxC= 1.00D-01 BMatC= 2.35D-02 BMatP= 2.43D-01
|
|
IDIUse=3 WtCom= 8.85D-01 WtEn= 1.15D-01
|
|
Coeff-Com: 0.169D+00 0.831D+00
|
|
Coeff-En: 0.000D+00 0.100D+01
|
|
Coeff: 0.150D+00 0.850D+00
|
|
Gap= 0.395 Goal= None Shift= 0.000
|
|
RMSDP=7.44D-04 MaxDP=2.90D-02 DE=-9.74D-02 OVMax= 5.15D-02
|
|
|
|
Cycle 3 Pass 1 IDiag 1:
|
|
E= -437.755152774108 Delta-E= -0.020332866877 Rises=F Damp=F
|
|
DIIS: error= 3.84D-03 at cycle 3 NSaved= 3.
|
|
NSaved= 3 IEnMin= 3 EnMin= -437.755152774108 IErMin= 3 ErrMin= 3.84D-03
|
|
ErrMax= 3.84D-03 0.00D+00 EMaxC= 1.00D-01 BMatC= 2.03D-03 BMatP= 2.35D-02
|
|
IDIUse=3 WtCom= 9.62D-01 WtEn= 3.84D-02
|
|
Coeff-Com: -0.174D-01 0.198D+00 0.820D+00
|
|
Coeff-En: 0.000D+00 0.000D+00 0.100D+01
|
|
Coeff: -0.167D-01 0.190D+00 0.827D+00
|
|
Gap= 0.389 Goal= None Shift= 0.000
|
|
RMSDP=1.83D-04 MaxDP=7.88D-03 DE=-2.03D-02 OVMax= 1.50D-02
|
|
|
|
Cycle 4 Pass 1 IDiag 1:
|
|
E= -437.757282730300 Delta-E= -0.002129956191 Rises=F Damp=F
|
|
DIIS: error= 5.71D-04 at cycle 4 NSaved= 4.
|
|
NSaved= 4 IEnMin= 4 EnMin= -437.757282730300 IErMin= 4 ErrMin= 5.71D-04
|
|
ErrMax= 5.71D-04 0.00D+00 EMaxC= 1.00D-01 BMatC= 2.39D-05 BMatP= 2.03D-03
|
|
IDIUse=3 WtCom= 9.94D-01 WtEn= 5.71D-03
|
|
Coeff-Com: -0.544D-03-0.387D-01-0.661D-01 0.111D+01
|
|
Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.100D+01
|
|
Coeff: -0.541D-03-0.385D-01-0.657D-01 0.110D+01
|
|
Gap= 0.387 Goal= None Shift= 0.000
|
|
RMSDP=2.90D-05 MaxDP=8.73D-04 DE=-2.13D-03 OVMax= 2.72D-03
|
|
|
|
Cycle 5 Pass 1 IDiag 1:
|
|
E= -437.757332777538 Delta-E= -0.000050047239 Rises=F Damp=F
|
|
DIIS: error= 1.25D-04 at cycle 5 NSaved= 5.
|
|
NSaved= 5 IEnMin= 5 EnMin= -437.757332777538 IErMin= 5 ErrMin= 1.25D-04
|
|
ErrMax= 1.25D-04 0.00D+00 EMaxC= 1.00D-01 BMatC= 1.60D-06 BMatP= 2.39D-05
|
|
IDIUse=3 WtCom= 9.99D-01 WtEn= 1.25D-03
|
|
Coeff-Com: 0.796D-03-0.959D-02-0.422D-01-0.104D+00 0.115D+01
|
|
Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.100D+01
|
|
Coeff: 0.795D-03-0.958D-02-0.421D-01-0.104D+00 0.115D+01
|
|
Gap= 0.387 Goal= None Shift= 0.000
|
|
RMSDP=1.10D-05 MaxDP=3.59D-04 DE=-5.00D-05 OVMax= 9.71D-04
|
|
|
|
Cycle 6 Pass 1 IDiag 1:
|
|
E= -437.757337510492 Delta-E= -0.000004732954 Rises=F Damp=F
|
|
DIIS: error= 3.35D-05 at cycle 6 NSaved= 6.
|
|
NSaved= 6 IEnMin= 6 EnMin= -437.757337510492 IErMin= 6 ErrMin= 3.35D-05
|
|
ErrMax= 3.35D-05 0.00D+00 EMaxC= 1.00D-01 BMatC= 6.75D-08 BMatP= 1.60D-06
|
|
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
|
|
Coeff-Com: 0.120D-03 0.174D-02 0.343D-02-0.398D-01-0.862D-01 0.112D+01
|
|
Coeff: 0.120D-03 0.174D-02 0.343D-02-0.398D-01-0.862D-01 0.112D+01
|
|
Gap= 0.387 Goal= None Shift= 0.000
|
|
RMSDP=2.68D-06 MaxDP=6.90D-05 DE=-4.73D-06 OVMax= 2.55D-04
|
|
|
|
Cycle 7 Pass 1 IDiag 1:
|
|
E= -437.757337752669 Delta-E= -0.000000242177 Rises=F Damp=F
|
|
DIIS: error= 8.45D-06 at cycle 7 NSaved= 7.
|
|
NSaved= 7 IEnMin= 7 EnMin= -437.757337752669 IErMin= 7 ErrMin= 8.45D-06
|
|
ErrMax= 8.45D-06 0.00D+00 EMaxC= 1.00D-01 BMatC= 5.29D-09 BMatP= 6.75D-08
|
|
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
|
|
Coeff-Com: -0.949D-04 0.813D-04 0.168D-02 0.168D-01-0.424D-01-0.301D+00
|
|
Coeff-Com: 0.132D+01
|
|
Coeff: -0.949D-04 0.813D-04 0.168D-02 0.168D-01-0.424D-01-0.301D+00
|
|
Coeff: 0.132D+01
|
|
Gap= 0.387 Goal= None Shift= 0.000
|
|
RMSDP=9.69D-07 MaxDP=2.68D-05 DE=-2.42D-07 OVMax= 8.96D-05
|
|
|
|
Cycle 8 Pass 1 IDiag 1:
|
|
E= -437.757337773555 Delta-E= -0.000000020886 Rises=F Damp=F
|
|
DIIS: error= 1.70D-06 at cycle 8 NSaved= 8.
|
|
NSaved= 8 IEnMin= 8 EnMin= -437.757337773555 IErMin= 8 ErrMin= 1.70D-06
|
|
ErrMax= 1.70D-06 0.00D+00 EMaxC= 1.00D-01 BMatC= 3.19D-10 BMatP= 5.29D-09
|
|
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
|
|
Coeff-Com: 0.477D-06-0.141D-03-0.420D-03 0.135D-02 0.118D-01-0.691D-01
|
|
Coeff-Com: -0.375D-01 0.109D+01
|
|
Coeff: 0.477D-06-0.141D-03-0.420D-03 0.135D-02 0.118D-01-0.691D-01
|
|
Coeff: -0.375D-01 0.109D+01
|
|
Gap= 0.387 Goal= None Shift= 0.000
|
|
RMSDP=1.93D-07 MaxDP=4.86D-06 DE=-2.09D-08 OVMax= 2.10D-05
|
|
|
|
Cycle 9 Pass 1 IDiag 1:
|
|
E= -437.757337774703 Delta-E= -0.000000001149 Rises=F Damp=F
|
|
DIIS: error= 5.15D-07 at cycle 9 NSaved= 9.
|
|
NSaved= 9 IEnMin= 9 EnMin= -437.757337774703 IErMin= 9 ErrMin= 5.15D-07
|
|
ErrMax= 5.15D-07 0.00D+00 EMaxC= 1.00D-01 BMatC= 3.11D-11 BMatP= 3.19D-10
|
|
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
|
|
Coeff-Com: 0.720D-05 0.438D-04 0.121D-04-0.236D-02 0.219D-02 0.443D-01
|
|
Coeff-Com: -0.132D+00-0.163D+00 0.125D+01
|
|
Coeff: 0.720D-05 0.438D-04 0.121D-04-0.236D-02 0.219D-02 0.443D-01
|
|
Coeff: -0.132D+00-0.163D+00 0.125D+01
|
|
Gap= 0.387 Goal= None Shift= 0.000
|
|
RMSDP=5.75D-08 MaxDP=1.58D-06 DE=-1.15D-09 OVMax= 7.76D-06
|
|
|
|
Cycle 10 Pass 1 IDiag 1:
|
|
E= -437.757337774820 Delta-E= -0.000000000117 Rises=F Damp=F
|
|
DIIS: error= 1.02D-07 at cycle 10 NSaved= 10.
|
|
NSaved=10 IEnMin=10 EnMin= -437.757337774820 IErMin=10 ErrMin= 1.02D-07
|
|
ErrMax= 1.02D-07 0.00D+00 EMaxC= 1.00D-01 BMatC= 1.16D-12 BMatP= 3.11D-11
|
|
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
|
|
Coeff-Com: -0.562D-06 0.225D-05 0.229D-04 0.103D-03-0.588D-03-0.108D-02
|
|
Coeff-Com: 0.155D-01-0.471D-01-0.918D-01 0.113D+01
|
|
Coeff: -0.562D-06 0.225D-05 0.229D-04 0.103D-03-0.588D-03-0.108D-02
|
|
Coeff: 0.155D-01-0.471D-01-0.918D-01 0.113D+01
|
|
Gap= 0.387 Goal= None Shift= 0.000
|
|
RMSDP=1.44D-08 MaxDP=4.76D-07 DE=-1.17D-10 OVMax= 1.41D-06
|
|
|
|
Cycle 11 Pass 1 IDiag 1:
|
|
E= -437.757337774820 Delta-E= 0.000000000000 Rises=F Damp=F
|
|
DIIS: error= 3.81D-08 at cycle 11 NSaved= 11.
|
|
NSaved=11 IEnMin=10 EnMin= -437.757337774820 IErMin=11 ErrMin= 3.81D-08
|
|
ErrMax= 3.81D-08 0.00D+00 EMaxC= 1.00D-01 BMatC= 8.32D-14 BMatP= 1.16D-12
|
|
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
|
|
Coeff-Com: -0.474D-06-0.181D-05 0.326D-05 0.128D-03-0.169D-03-0.238D-02
|
|
Coeff-Com: 0.786D-02 0.523D-02-0.686D-01 0.434D-01 0.101D+01
|
|
Coeff: -0.474D-06-0.181D-05 0.326D-05 0.128D-03-0.169D-03-0.238D-02
|
|
Coeff: 0.786D-02 0.523D-02-0.686D-01 0.434D-01 0.101D+01
|
|
Gap= 0.387 Goal= None Shift= 0.000
|
|
RMSDP=3.23D-09 MaxDP=9.73D-08 DE= 1.14D-13 OVMax= 2.32D-07
|
|
|
|
SCF Done: E(ROHF) = -437.757337775 A.U. after 11 cycles
|
|
NFock= 11 Conv=0.32D-08 -V/T= 2.0003
|
|
<Sx>= 0.0000 <Sy>= 0.0000 <Sz>= 0.0000 <S**2>= 0.0000 S= 0.0000
|
|
<L.S>= 0.000000000000E+00
|
|
KE= 4.376213875310D+02 PE=-1.152188589380D+03 EE= 2.207639396178D+02
|
|
Annihilation of the first spin contaminant:
|
|
S**2 before annihilation 0.0000, after 0.0000
|
|
Leave Link 502 at Thu Apr 4 22:44:34 2019, MaxMem= 13421772800 cpu: 102.6
|
|
(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= 2.53D-02 ExpMax= 3.74D+05 ExpMxC= 1.18D+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 4.84D-04
|
|
Largest core mixing into a valence orbital is 9.06D-05
|
|
Largest valence mixing into a core orbital is 4.84D-04
|
|
Largest core mixing into a valence orbital is 9.06D-05
|
|
Range of M.O.s used for correlation: 7 188
|
|
NBasis= 188 NAE= 13 NBE= 13 NFC= 6 NFV= 0
|
|
NROrb= 182 NOA= 7 NOB= 7 NVA= 175 NVB= 175
|
|
|
|
**** Warning!!: The largest alpha MO coefficient is 0.36061914D+02
|
|
|
|
|
|
**** Warning!!: The largest beta MO coefficient is 0.36061914D+02
|
|
|
|
Singles contribution to E2= -0.1509740373D-13
|
|
Leave Link 801 at Thu Apr 4 22:44:35 2019, MaxMem= 13421772800 cpu: 22.4
|
|
(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= 13420621345
|
|
LASXX= 10302783 LTotXX= 10302783 LenRXX= 20805252
|
|
LTotAB= 10502469 MaxLAS= 23865842 LenRXY= 0
|
|
NonZer= 31108035 LenScr= 47185920 LnRSAI= 23865842
|
|
LnScr1= 36241408 LExtra= 0 Total= 128098422
|
|
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= 13420621345
|
|
LASXX= 10302783 LTotXX= 10302783 LenRXX= 20011667
|
|
LTotAB= 9708884 MaxLAS= 23865842 LenRXY= 0
|
|
NonZer= 30314450 LenScr= 46137344 LnRSAI= 23865842
|
|
LnScr1= 36241408 LExtra= 0 Total= 126256261
|
|
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 = 0.1571010646D-01 E2= -0.3943850067D-01
|
|
alpha-beta T2 = 0.1029080274D+00 E2= -0.2918591478D+00
|
|
beta-beta T2 = 0.1571010646D-01 E2= -0.3943850067D-01
|
|
ANorm= 0.1065048469D+01
|
|
E2 = -0.3707361492D+00 EUMP2 = -0.43812807392400D+03
|
|
(S**2,0)= 0.00000D+00 (S**2,1)= 0.00000D+00
|
|
E(PUHF)= -0.43775733777D+03 E(PMP2)= -0.43812807392D+03
|
|
Leave Link 804 at Thu Apr 4 22:44:43 2019, MaxMem= 13421772800 cpu: 199.2
|
|
(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=237953677.
|
|
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= 17766 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)= 0.42263583D-01
|
|
Maximum subspace dimension= 5
|
|
Norm of the A-vectors is 1.1132714D-01 conv= 1.00D-05.
|
|
RLE energy= -0.3607729671
|
|
E3= -0.32025255D-01 EROMP3= -0.43816009918D+03
|
|
E4(SDQ)= -0.13737423D-02 ROMP4(SDQ)= -0.43816147292D+03
|
|
VARIATIONAL ENERGIES WITH THE FIRST-ORDER WAVEFUNCTION:
|
|
DE(Corr)= -0.36049782 E(Corr)= -438.11783560
|
|
NORM(A)= 0.10609861D+01
|
|
Iteration Nr. 2
|
|
**********************
|
|
DD1Dir will call FoFMem 1 times, MxPair= 140
|
|
NAB= 49 NAA= 21 NBB= 21.
|
|
Norm of the A-vectors is 4.7541464D-01 conv= 1.00D-05.
|
|
RLE energy= -0.3694811525
|
|
DE(Corr)= -0.39198996 E(CORR)= -438.14932773 Delta=-3.15D-02
|
|
NORM(A)= 0.10642069D+01
|
|
Iteration Nr. 3
|
|
**********************
|
|
DD1Dir will call FoFMem 1 times, MxPair= 140
|
|
NAB= 49 NAA= 21 NBB= 21.
|
|
Norm of the A-vectors is 3.7528580D-01 conv= 1.00D-05.
|
|
RLE energy= -0.3882692851
|
|
DE(Corr)= -0.39447841 E(CORR)= -438.15181618 Delta=-2.49D-03
|
|
NORM(A)= 0.10725325D+01
|
|
Iteration Nr. 4
|
|
**********************
|
|
DD1Dir will call FoFMem 1 times, MxPair= 140
|
|
NAB= 49 NAA= 21 NBB= 21.
|
|
Norm of the A-vectors is 1.8125684D-01 conv= 1.00D-05.
|
|
RLE energy= -0.4028676753
|
|
DE(Corr)= -0.39919888 E(CORR)= -438.15653665 Delta=-4.72D-03
|
|
NORM(A)= 0.10805261D+01
|
|
Iteration Nr. 5
|
|
**********************
|
|
DD1Dir will call FoFMem 1 times, MxPair= 140
|
|
NAB= 49 NAA= 21 NBB= 21.
|
|
Norm of the A-vectors is 1.3309896D-02 conv= 1.00D-05.
|
|
RLE energy= -0.4040465734
|
|
DE(Corr)= -0.40345426 E(CORR)= -438.16079203 Delta=-4.26D-03
|
|
NORM(A)= 0.10813037D+01
|
|
Iteration Nr. 6
|
|
**********************
|
|
DD1Dir will call FoFMem 1 times, MxPair= 140
|
|
NAB= 49 NAA= 21 NBB= 21.
|
|
Norm of the A-vectors is 4.8524162D-03 conv= 1.00D-05.
|
|
RLE energy= -0.4036887508
|
|
DE(Corr)= -0.40378138 E(CORR)= -438.16111916 Delta=-3.27D-04
|
|
NORM(A)= 0.10811211D+01
|
|
Iteration Nr. 7
|
|
**********************
|
|
DD1Dir will call FoFMem 1 times, MxPair= 140
|
|
NAB= 49 NAA= 21 NBB= 21.
|
|
Norm of the A-vectors is 8.7820498D-04 conv= 1.00D-05.
|
|
RLE energy= -0.4036888020
|
|
DE(Corr)= -0.40368779 E(CORR)= -438.16102556 Delta= 9.36D-05
|
|
NORM(A)= 0.10811270D+01
|
|
Iteration Nr. 8
|
|
**********************
|
|
DD1Dir will call FoFMem 1 times, MxPair= 140
|
|
NAB= 49 NAA= 21 NBB= 21.
|
|
Norm of the A-vectors is 3.6647727D-04 conv= 1.00D-05.
|
|
RLE energy= -0.4036896439
|
|
DE(Corr)= -0.40369068 E(CORR)= -438.16102846 Delta=-2.89D-06
|
|
NORM(A)= 0.10811264D+01
|
|
Iteration Nr. 9
|
|
**********************
|
|
DD1Dir will call FoFMem 1 times, MxPair= 140
|
|
NAB= 49 NAA= 21 NBB= 21.
|
|
Norm of the A-vectors is 1.3329279D-04 conv= 1.00D-05.
|
|
RLE energy= -0.4036890709
|
|
DE(Corr)= -0.40368913 E(CORR)= -438.16102691 Delta= 1.55D-06
|
|
NORM(A)= 0.10811262D+01
|
|
Iteration Nr. 10
|
|
**********************
|
|
DD1Dir will call FoFMem 1 times, MxPair= 140
|
|
NAB= 49 NAA= 21 NBB= 21.
|
|
Norm of the A-vectors is 4.2314562D-05 conv= 1.00D-05.
|
|
RLE energy= -0.4036893186
|
|
DE(Corr)= -0.40368917 E(CORR)= -438.16102695 Delta=-4.23D-08
|
|
NORM(A)= 0.10811264D+01
|
|
Iteration Nr. 11
|
|
**********************
|
|
DD1Dir will call FoFMem 1 times, MxPair= 140
|
|
NAB= 49 NAA= 21 NBB= 21.
|
|
Norm of the A-vectors is 1.5346340D-05 conv= 1.00D-05.
|
|
RLE energy= -0.4036891967
|
|
DE(Corr)= -0.40368921 E(CORR)= -438.16102698 Delta=-3.34D-08
|
|
NORM(A)= 0.10811264D+01
|
|
Iteration Nr. 12
|
|
**********************
|
|
DD1Dir will call FoFMem 1 times, MxPair= 140
|
|
NAB= 49 NAA= 21 NBB= 21.
|
|
Norm of the A-vectors is 5.8643435D-06 conv= 1.00D-05.
|
|
RLE energy= -0.4036892395
|
|
DE(Corr)= -0.40368922 E(CORR)= -438.16102700 Delta=-1.82D-08
|
|
NORM(A)= 0.10811265D+01
|
|
CI/CC converged in 12 iterations to DelEn=-1.82D-08 Conv= 1.00D-07 ErrA1= 5.86D-06 Conv= 1.00D-05
|
|
Largest amplitude= 2.69D-02
|
|
Time for triples= 35188.24 seconds.
|
|
T4(CCSD)= -0.16900896D-01
|
|
T5(CCSD)= 0.31644072D-03
|
|
CCSD(T)= -0.43817761145D+03
|
|
Discarding MO integrals.
|
|
Leave Link 913 at Thu Apr 4 23:13:54 2019, MaxMem= 13421772800 cpu: 40539.7
|
|
(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')
|
|
The electronic state is 1-A'.
|
|
Alpha occ. eigenvalues -- -91.95464 -11.26058 -8.95536 -6.63672 -6.63573
|
|
Alpha occ. eigenvalues -- -6.63468 -1.03413 -0.86672 -0.60649 -0.59150
|
|
Alpha occ. eigenvalues -- -0.52667 -0.45867 -0.35778
|
|
Alpha virt. eigenvalues -- 0.02935 0.04082 0.04693 0.05101 0.08501
|
|
Alpha virt. eigenvalues -- 0.09795 0.11554 0.11645 0.13351 0.13569
|
|
Alpha virt. eigenvalues -- 0.13922 0.17442 0.19726 0.21009 0.21814
|
|
Alpha virt. eigenvalues -- 0.24335 0.26188 0.26888 0.28662 0.28736
|
|
Alpha virt. eigenvalues -- 0.32137 0.33241 0.33387 0.34381 0.36962
|
|
Alpha virt. eigenvalues -- 0.37746 0.39052 0.39097 0.40617 0.40619
|
|
Alpha virt. eigenvalues -- 0.41753 0.42910 0.43893 0.43943 0.45234
|
|
Alpha virt. eigenvalues -- 0.46230 0.48066 0.49631 0.49842 0.63567
|
|
Alpha virt. eigenvalues -- 0.63601 0.66040 0.67656 0.69303 0.71086
|
|
Alpha virt. eigenvalues -- 0.73097 0.76764 0.79873 0.81595 0.83622
|
|
Alpha virt. eigenvalues -- 0.84294 0.85711 0.86705 0.87005 0.89289
|
|
Alpha virt. eigenvalues -- 0.91331 0.93439 0.94341 0.95801 0.97784
|
|
Alpha virt. eigenvalues -- 0.98083 0.99312 1.01411 1.02112 1.02976
|
|
Alpha virt. eigenvalues -- 1.07271 1.07827 1.08682 1.09526 1.10802
|
|
Alpha virt. eigenvalues -- 1.12087 1.16776 1.17183 1.19794 1.21386
|
|
Alpha virt. eigenvalues -- 1.25180 1.26631 1.29579 1.31202 1.33988
|
|
Alpha virt. eigenvalues -- 1.34827 1.38677 1.39167 1.47238 1.57285
|
|
Alpha virt. eigenvalues -- 1.58309 1.61611 1.63299 1.63752 1.65395
|
|
Alpha virt. eigenvalues -- 1.66972 1.68272 1.69387 1.70102 1.74185
|
|
Alpha virt. eigenvalues -- 1.75918 1.79836 1.88406 1.92865 1.93442
|
|
Alpha virt. eigenvalues -- 1.98786 2.01344 2.06644 2.12895 2.15217
|
|
Alpha virt. eigenvalues -- 2.17803 2.18266 2.21032 2.28604 2.34765
|
|
Alpha virt. eigenvalues -- 2.38686 2.45092 2.49353 2.53883 2.57028
|
|
Alpha virt. eigenvalues -- 2.63315 2.65202 2.69343 2.74555 2.80240
|
|
Alpha virt. eigenvalues -- 3.00661 3.06235 3.06912 3.34681 3.34922
|
|
Alpha virt. eigenvalues -- 3.50815 3.52154 3.57508 3.58562 3.58924
|
|
Alpha virt. eigenvalues -- 3.60730 3.64077 3.76572 3.78606 3.91641
|
|
Alpha virt. eigenvalues -- 3.92839 3.99149 4.00203 4.06794 4.09421
|
|
Alpha virt. eigenvalues -- 4.10073 4.11546 4.15418 4.18770 4.23525
|
|
Alpha virt. eigenvalues -- 4.35661 4.43780 4.45736 4.47109 4.49828
|
|
Alpha virt. eigenvalues -- 4.53215 4.53760 4.65083 4.73769 4.75001
|
|
Alpha virt. eigenvalues -- 4.78915 4.88876 4.90103 4.95141 4.98899
|
|
Alpha virt. eigenvalues -- 5.12496 5.16248 5.22478 5.30009 5.52819
|
|
Alpha virt. eigenvalues -- 5.54743 5.56228 5.60122 5.94632 6.04701
|
|
Alpha virt. eigenvalues -- 6.06058 6.60711 6.65043 7.60604 16.86112
|
|
Molecular Orbital Coefficients:
|
|
1 2 3 4 5
|
|
O O O O O
|
|
Eigenvalues -- -91.95464 -11.26058 -8.95536 -6.63672 -6.63573
|
|
1 1 C 1S 0.00000 0.97902 -0.00012 0.00013 -0.00019
|
|
2 2S 0.00003 -0.00541 0.00005 0.00023 -0.00040
|
|
3 3S 0.00003 0.04175 -0.00027 0.00069 -0.00085
|
|
4 4S -0.00058 0.00368 0.00874 -0.02193 0.03032
|
|
5 5S -0.00012 -0.00100 0.00220 -0.00299 0.00339
|
|
6 6PX 0.00000 -0.00002 0.00001 0.00004 0.00004
|
|
7 6PY -0.00001 -0.00082 -0.00007 0.00000 -0.00011
|
|
8 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
9 7PX 0.00001 0.00002 -0.00005 -0.00055 -0.00061
|
|
10 7PY 0.00002 0.00266 -0.00071 0.00163 -0.00077
|
|
11 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
12 8PX 0.00008 -0.00012 -0.00182 0.00408 0.00250
|
|
13 8PY 0.00007 0.00469 -0.00124 0.00250 -0.00397
|
|
14 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
15 9PX 0.00001 0.00007 -0.00024 -0.00004 0.00011
|
|
16 9PY 0.00002 0.00072 -0.00053 0.00075 -0.00036
|
|
17 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
18 10D 0 0.00000 0.00013 -0.00005 0.00008 -0.00008
|
|
19 10D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
20 10D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
21 10D+2 0.00000 0.00021 -0.00012 0.00016 -0.00013
|
|
22 10D-2 0.00000 0.00003 0.00001 0.00002 0.00007
|
|
23 11D 0 0.00003 0.00126 0.00003 -0.00004 0.00018
|
|
24 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
25 11D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
26 11D+2 0.00002 0.00185 0.00039 0.00003 0.00098
|
|
27 11D-2 0.00001 0.00030 -0.00004 -0.00042 -0.00110
|
|
28 12D 0 0.00004 0.00048 -0.00052 0.00196 0.00034
|
|
29 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
30 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
31 12D+2 0.00000 0.00122 0.00017 -0.00033 -0.00087
|
|
32 12D-2 -0.00001 -0.00008 0.00031 0.00057 -0.00019
|
|
33 13F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
34 13F+1 0.00000 0.00076 0.00005 -0.00003 0.00010
|
|
35 13F-1 0.00000 0.00030 -0.00002 0.00003 -0.00005
|
|
36 13F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
37 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
38 13F+3 0.00000 -0.00025 -0.00003 0.00002 -0.00003
|
|
39 13F-3 -0.00001 0.00029 0.00001 0.00006 -0.00001
|
|
40 14F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
41 14F+1 -0.00002 -0.00048 0.00060 -0.00170 0.00179
|
|
42 14F-1 -0.00002 -0.00069 0.00005 -0.00016 0.00039
|
|
43 14F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
44 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
45 14F+3 0.00002 0.00023 -0.00024 -0.00040 -0.00143
|
|
46 14F-3 -0.00002 -0.00093 -0.00001 -0.00063 0.00031
|
|
47 2 S 1S 0.99924 0.00000 -0.27688 0.00024 0.00172
|
|
48 2S 0.00330 0.00008 0.98587 -0.00142 -0.00715
|
|
49 3S 0.00048 0.00021 -0.00894 -0.00082 0.00069
|
|
50 4S -0.00075 -0.00053 0.07017 0.00036 0.00219
|
|
51 5S 0.00001 0.00685 0.00324 0.00524 -0.01294
|
|
52 6S 0.00001 0.00392 -0.00085 0.00210 0.00001
|
|
53 7PX 0.00007 0.00000 0.00378 0.76185 0.60106
|
|
54 7PY 0.00006 0.00007 0.00356 -0.60050 0.76216
|
|
55 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
56 8PX 0.00017 -0.00004 -0.00090 -0.00860 -0.00624
|
|
57 8PY 0.00013 0.00274 -0.00107 0.00751 -0.00795
|
|
58 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
59 9PX -0.00007 0.00000 0.00133 0.05071 0.03901
|
|
60 9PY -0.00006 -0.00040 0.00132 -0.04056 0.05009
|
|
61 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
62 10PX -0.00011 -0.00011 0.00247 0.00210 0.00049
|
|
63 10PY 0.00006 0.00558 -0.00193 0.00147 -0.00403
|
|
64 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
65 11PX -0.00002 -0.00012 0.00033 -0.00013 0.00032
|
|
66 11PY 0.00001 0.00075 -0.00038 0.00027 0.00003
|
|
67 11PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
68 12D 0 -0.00006 -0.00098 0.00092 0.00025 0.00181
|
|
69 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
70 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
71 12D+2 0.00001 -0.00174 0.00033 -0.00419 0.00039
|
|
72 12D-2 0.00000 0.00024 0.00029 -0.00028 -0.00262
|
|
73 13D 0 -0.00001 -0.00007 -0.00067 -0.00010 -0.00064
|
|
74 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
75 13D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
76 13D+2 0.00000 -0.00012 -0.00001 0.00129 -0.00021
|
|
77 13D-2 0.00000 -0.00002 -0.00027 0.00011 0.00112
|
|
78 14D 0 0.00002 -0.00055 -0.00018 -0.00021 0.00025
|
|
79 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
80 14D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
81 14D+2 -0.00003 -0.00116 0.00082 0.00011 0.00072
|
|
82 14D-2 -0.00001 0.00026 0.00010 0.00066 0.00031
|
|
83 15F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
84 15F+1 -0.00001 -0.00002 -0.00008 -0.00006 -0.00005
|
|
85 15F-1 -0.00001 -0.00017 -0.00001 0.00000 -0.00009
|
|
86 15F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
87 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
88 15F+3 0.00001 0.00003 0.00013 0.00008 0.00020
|
|
89 15F-3 -0.00001 -0.00017 -0.00008 -0.00019 -0.00007
|
|
90 16F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
91 16F+1 0.00000 0.00004 0.00005 0.00071 0.00034
|
|
92 16F-1 0.00000 -0.00037 0.00015 -0.00033 0.00057
|
|
93 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
94 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
95 16F+3 0.00001 -0.00027 -0.00019 -0.00071 -0.00010
|
|
96 16F-3 0.00001 -0.00038 0.00018 -0.00023 -0.00024
|
|
97 3 H 1S 0.00000 0.00005 0.00027 0.00032 0.00005
|
|
98 2S -0.00013 0.00016 0.00069 0.00529 0.00267
|
|
99 3S 0.00013 0.00045 -0.00409 -0.00209 0.00025
|
|
100 4S 0.00001 0.00029 -0.00043 0.00020 -0.00018
|
|
101 5PX 0.00000 0.00000 0.00001 0.00014 0.00013
|
|
102 5PY 0.00000 0.00002 0.00001 -0.00001 -0.00011
|
|
103 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
104 6PX 0.00009 -0.00003 -0.00013 -0.00195 -0.00112
|
|
105 6PY -0.00002 -0.00016 0.00000 0.00028 0.00148
|
|
106 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
107 7PX -0.00001 -0.00027 0.00115 0.00076 -0.00057
|
|
108 7PY 0.00001 -0.00022 -0.00018 -0.00030 0.00074
|
|
109 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
110 8D 0 0.00000 0.00003 0.00008 0.00016 0.00000
|
|
111 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
112 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
113 8D+2 0.00000 0.00002 -0.00014 -0.00021 -0.00008
|
|
114 8D-2 0.00000 0.00006 0.00001 0.00002 0.00001
|
|
115 9D 0 0.00001 0.00006 0.00000 0.00005 -0.00011
|
|
116 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
117 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
118 9D+2 -0.00003 0.00017 -0.00001 0.00010 0.00000
|
|
119 9D-2 0.00001 -0.00003 0.00001 0.00019 -0.00093
|
|
120 4 H 1S 0.00000 0.00014 0.00000 -0.00010 0.00001
|
|
121 2S 0.00012 -0.00001 -0.00184 0.00321 -0.00621
|
|
122 3S 0.00021 -0.00411 -0.00351 0.01263 0.00008
|
|
123 4S 0.00001 -0.00018 -0.00020 0.00001 0.00003
|
|
124 5PX 0.00000 -0.00028 -0.00004 0.00002 -0.00008
|
|
125 5PY 0.00000 0.00008 0.00002 -0.00006 -0.00002
|
|
126 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
127 6PX 0.00002 -0.00072 -0.00015 0.00021 -0.00102
|
|
128 6PY -0.00001 0.00056 0.00039 -0.00021 0.00112
|
|
129 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
130 7PX 0.00003 -0.00125 -0.00051 0.00291 0.00003
|
|
131 7PY -0.00002 0.00081 0.00051 -0.00112 -0.00002
|
|
132 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
133 8D 0 0.00000 0.00014 0.00001 -0.00004 0.00004
|
|
134 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
135 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
136 8D+2 0.00000 -0.00019 0.00004 -0.00011 0.00001
|
|
137 8D-2 0.00000 0.00016 0.00004 -0.00006 0.00008
|
|
138 9D 0 0.00001 0.00019 -0.00003 -0.00023 -0.00004
|
|
139 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
140 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
141 9D+2 0.00000 -0.00019 0.00014 -0.00047 0.00011
|
|
142 9D-2 0.00001 0.00032 -0.00008 0.00037 0.00003
|
|
143 5 H 1S 0.00000 0.00015 0.00002 -0.00003 0.00014
|
|
144 2S 0.00008 -0.00045 -0.00124 0.00319 -0.00464
|
|
145 3S 0.00005 -0.00377 -0.00035 -0.00056 -0.00710
|
|
146 4S 0.00000 -0.00035 0.00015 0.00003 -0.00034
|
|
147 5PX 0.00000 0.00013 0.00000 0.00000 0.00004
|
|
148 5PY 0.00000 0.00010 -0.00001 0.00002 -0.00001
|
|
149 5PZ 0.00000 0.00024 0.00001 -0.00002 0.00003
|
|
150 6PX -0.00001 0.00042 0.00003 0.00002 0.00010
|
|
151 6PY -0.00001 0.00065 0.00044 -0.00091 0.00112
|
|
152 6PZ -0.00001 0.00075 0.00009 -0.00027 0.00039
|
|
153 7PX 0.00001 0.00046 -0.00016 0.00083 0.00078
|
|
154 7PY 0.00000 0.00106 0.00005 -0.00036 0.00143
|
|
155 7PZ -0.00001 0.00107 0.00012 -0.00045 0.00097
|
|
156 8D 0 0.00000 -0.00014 0.00002 -0.00003 0.00007
|
|
157 8D+1 0.00000 -0.00017 0.00000 -0.00002 -0.00002
|
|
158 8D-1 0.00000 -0.00018 -0.00004 0.00005 -0.00010
|
|
159 8D+2 0.00000 0.00001 0.00005 -0.00008 0.00013
|
|
160 8D-2 0.00000 -0.00009 -0.00001 0.00005 -0.00003
|
|
161 9D 0 -0.00001 -0.00011 0.00011 -0.00015 0.00035
|
|
162 9D+1 0.00000 -0.00021 0.00004 -0.00009 0.00012
|
|
163 9D-1 -0.00001 -0.00030 0.00001 0.00006 0.00021
|
|
164 9D+2 -0.00001 0.00007 0.00019 -0.00020 0.00042
|
|
165 9D-2 0.00000 -0.00014 0.00001 -0.00014 0.00010
|
|
166 6 H 1S 0.00000 0.00015 0.00002 -0.00003 0.00014
|
|
167 2S 0.00008 -0.00045 -0.00124 0.00319 -0.00464
|
|
168 3S 0.00005 -0.00377 -0.00035 -0.00056 -0.00710
|
|
169 4S 0.00000 -0.00035 0.00015 0.00003 -0.00034
|
|
170 5PX 0.00000 0.00013 0.00000 0.00000 0.00004
|
|
171 5PY 0.00000 0.00010 -0.00001 0.00002 -0.00001
|
|
172 5PZ 0.00000 -0.00024 -0.00001 0.00002 -0.00003
|
|
173 6PX -0.00001 0.00042 0.00003 0.00002 0.00010
|
|
174 6PY -0.00001 0.00065 0.00044 -0.00091 0.00112
|
|
175 6PZ 0.00001 -0.00075 -0.00009 0.00027 -0.00039
|
|
176 7PX 0.00001 0.00046 -0.00016 0.00083 0.00078
|
|
177 7PY 0.00000 0.00106 0.00005 -0.00036 0.00143
|
|
178 7PZ 0.00001 -0.00107 -0.00012 0.00045 -0.00097
|
|
179 8D 0 0.00000 -0.00014 0.00002 -0.00003 0.00007
|
|
180 8D+1 0.00000 0.00017 0.00000 0.00002 0.00002
|
|
181 8D-1 0.00000 0.00018 0.00004 -0.00005 0.00010
|
|
182 8D+2 0.00000 0.00001 0.00005 -0.00008 0.00013
|
|
183 8D-2 0.00000 -0.00009 -0.00001 0.00005 -0.00003
|
|
184 9D 0 -0.00001 -0.00011 0.00011 -0.00015 0.00035
|
|
185 9D+1 0.00000 0.00021 -0.00004 0.00009 -0.00012
|
|
186 9D-1 0.00001 0.00030 -0.00001 -0.00006 -0.00021
|
|
187 9D+2 -0.00001 0.00007 0.00019 -0.00020 0.00042
|
|
188 9D-2 0.00000 -0.00014 0.00001 -0.00014 0.00010
|
|
6 7 8 9 10
|
|
O O O O O
|
|
Eigenvalues -- -6.63468 -1.03413 -0.86672 -0.60649 -0.59150
|
|
1 1 C 1S 0.00000 -0.13347 0.11480 -0.00623 0.00000
|
|
2 2S 0.00000 0.33187 -0.29058 0.01661 0.00000
|
|
3 3S 0.00000 0.06966 -0.06361 0.00478 0.00000
|
|
4 4S 0.00000 0.08526 -0.17881 0.03595 0.00000
|
|
5 5S 0.00000 -0.00329 0.02319 -0.01087 0.00000
|
|
6 6PX 0.00000 -0.00111 0.00737 0.19537 0.00000
|
|
7 6PY 0.00000 -0.02122 -0.06824 0.05757 0.00000
|
|
8 6PZ 0.00000 0.00000 0.00000 0.00000 0.23299
|
|
9 7PX 0.00000 -0.00181 0.01149 0.25921 0.00000
|
|
10 7PY 0.00000 -0.03656 -0.09077 0.07703 0.00000
|
|
11 7PZ 0.00031 0.00000 0.00000 0.00000 0.30824
|
|
12 8PX 0.00000 -0.00495 -0.00352 0.20064 0.00000
|
|
13 8PY 0.00000 0.00241 -0.05190 0.05056 0.00000
|
|
14 8PZ 0.00951 0.00000 0.00000 0.00000 0.22410
|
|
15 9PX 0.00000 -0.00036 -0.00153 0.00666 0.00000
|
|
16 9PY 0.00000 -0.00134 -0.00865 0.00768 0.00000
|
|
17 9PZ 0.00047 0.00000 0.00000 0.00000 0.01159
|
|
18 10D 0 0.00000 -0.00123 -0.00423 0.01286 0.00000
|
|
19 10D+1 -0.00003 0.00000 0.00000 0.00000 0.01369
|
|
20 10D-1 0.00003 0.00000 0.00000 0.00000 0.00957
|
|
21 10D+2 0.00000 -0.00198 -0.00730 -0.00335 0.00000
|
|
22 10D-2 0.00000 0.00010 -0.00084 0.00530 0.00000
|
|
23 11D 0 0.00000 -0.00795 -0.01142 0.03227 0.00000
|
|
24 11D+1 0.00085 0.00000 0.00000 0.00000 0.03145
|
|
25 11D-1 -0.00032 0.00000 0.00000 0.00000 0.01240
|
|
26 11D+2 0.00000 -0.01120 -0.02099 -0.00624 0.00000
|
|
27 11D-2 0.00000 -0.00083 -0.00363 0.00199 0.00000
|
|
28 12D 0 0.00000 -0.00199 -0.00356 0.02827 0.00000
|
|
29 12D+1 0.00318 0.00000 0.00000 0.00000 0.02079
|
|
30 12D-1 0.00090 0.00000 0.00000 0.00000 0.01926
|
|
31 12D+2 0.00000 0.00269 -0.00710 -0.01112 0.00000
|
|
32 12D-2 0.00000 -0.00487 -0.00481 0.01529 0.00000
|
|
33 13F 0 0.00008 0.00000 0.00000 0.00000 -0.00098
|
|
34 13F+1 0.00000 0.00307 -0.00355 -0.00018 0.00000
|
|
35 13F-1 0.00000 0.00414 -0.00127 0.00030 0.00000
|
|
36 13F+2 0.00008 0.00000 0.00000 0.00000 -0.00131
|
|
37 13F-2 0.00005 0.00000 0.00000 0.00000 0.00142
|
|
38 13F+3 0.00000 -0.00142 0.00080 -0.00180 0.00000
|
|
39 13F-3 0.00000 0.00453 -0.00134 -0.00158 0.00000
|
|
40 14F 0 -0.00051 0.00000 0.00000 0.00000 -0.00180
|
|
41 14F+1 0.00000 -0.00341 -0.00460 0.00089 0.00000
|
|
42 14F-1 0.00000 -0.00014 -0.00136 0.00050 0.00000
|
|
43 14F+2 -0.00079 0.00000 0.00000 0.00000 0.00036
|
|
44 14F-2 -0.00010 0.00000 0.00000 0.00000 0.00328
|
|
45 14F+3 0.00000 0.00149 0.00213 0.00039 0.00000
|
|
46 14F-3 0.00000 0.00014 0.00323 -0.00129 0.00000
|
|
47 2 S 1S 0.00000 0.04986 0.05149 -0.01048 0.00000
|
|
48 2S 0.00000 -0.18880 -0.19535 0.04057 0.00000
|
|
49 3S 0.00000 0.36511 0.38755 -0.08214 0.00000
|
|
50 4S 0.00000 0.04012 0.04825 -0.01358 0.00000
|
|
51 5S 0.00000 0.21692 0.22745 -0.05427 0.00000
|
|
52 6S 0.00000 -0.00265 -0.02903 0.01226 0.00000
|
|
53 7PX 0.00000 -0.01552 -0.03330 -0.10016 0.00000
|
|
54 7PY 0.00000 -0.03944 0.02827 0.02828 0.00000
|
|
55 7PZ 0.97184 0.00000 0.00000 0.00000 -0.05420
|
|
56 8PX 0.00000 0.02291 0.05949 0.20779 0.00000
|
|
57 8PY 0.00000 0.07513 -0.06213 -0.05398 0.00000
|
|
58 8PZ -0.00672 0.00000 0.00000 0.00000 0.11578
|
|
59 9PX 0.00000 0.01053 0.02456 0.08363 0.00000
|
|
60 9PY 0.00000 0.02803 -0.02406 -0.02263 0.00000
|
|
61 9PZ 0.06051 0.00000 0.00000 0.00000 0.04695
|
|
62 10PX 0.00000 0.00052 0.01198 0.08249 0.00000
|
|
63 10PY 0.00000 0.02407 -0.03815 -0.01247 0.00000
|
|
64 10PZ 0.00165 0.00000 0.00000 0.00000 0.05075
|
|
65 11PX 0.00000 -0.00065 -0.00033 -0.00321 0.00000
|
|
66 11PY 0.00000 -0.00311 -0.00722 0.00441 0.00000
|
|
67 11PZ -0.00031 0.00000 0.00000 0.00000 -0.00046
|
|
68 12D 0 0.00000 -0.01093 -0.00034 -0.00720 0.00000
|
|
69 12D+1 -0.00119 0.00000 0.00000 0.00000 0.00209
|
|
70 12D-1 -0.00158 0.00000 0.00000 0.00000 0.01627
|
|
71 12D+2 0.00000 -0.01165 0.02287 0.02567 0.00000
|
|
72 12D-2 0.00000 0.00021 -0.00167 0.01072 0.00000
|
|
73 13D 0 0.00000 -0.01296 -0.00479 -0.00635 0.00000
|
|
74 13D+1 0.00068 0.00000 0.00000 0.00000 0.00167
|
|
75 13D-1 0.00077 0.00000 0.00000 0.00000 0.01451
|
|
76 13D+2 0.00000 -0.00799 0.01950 0.02479 0.00000
|
|
77 13D-2 0.00000 -0.00158 -0.00330 0.00842 0.00000
|
|
78 14D 0 0.00000 0.00292 0.00588 -0.00578 0.00000
|
|
79 14D+1 -0.00007 0.00000 0.00000 0.00000 -0.00067
|
|
80 14D-1 0.00057 0.00000 0.00000 0.00000 -0.00183
|
|
81 14D+2 0.00000 -0.00211 0.00613 0.00498 0.00000
|
|
82 14D-2 0.00000 0.00123 0.00079 -0.00505 0.00000
|
|
83 15F 0 -0.00012 0.00000 0.00000 0.00000 -0.00491
|
|
84 15F+1 0.00000 -0.00250 -0.00457 -0.00642 0.00000
|
|
85 15F-1 0.00000 -0.00421 0.00121 0.00276 0.00000
|
|
86 15F+2 0.00008 0.00000 0.00000 0.00000 -0.00479
|
|
87 15F-2 -0.00010 0.00000 0.00000 0.00000 0.00028
|
|
88 15F+3 0.00000 0.00277 0.00456 -0.00107 0.00000
|
|
89 15F-3 0.00000 -0.00656 -0.00177 -0.00016 0.00000
|
|
90 16F 0 0.00058 0.00000 0.00000 0.00000 -0.00094
|
|
91 16F+1 0.00000 0.00048 0.00044 -0.00114 0.00000
|
|
92 16F-1 0.00000 -0.00062 0.00040 -0.00072 0.00000
|
|
93 16F+2 0.00008 0.00000 0.00000 0.00000 -0.00002
|
|
94 16F-2 0.00005 0.00000 0.00000 0.00000 0.00015
|
|
95 16F+3 0.00000 -0.00026 0.00087 0.00102 0.00000
|
|
96 16F-3 0.00000 0.00066 0.00317 0.00075 0.00000
|
|
97 3 H 1S 0.00000 0.04894 0.07884 0.07581 0.00000
|
|
98 2S 0.00000 0.06820 0.10782 0.11462 0.00000
|
|
99 3S 0.00000 0.00193 0.00990 0.03935 0.00000
|
|
100 4S 0.00000 -0.00146 -0.00341 0.00533 0.00000
|
|
101 5PX 0.00000 -0.00557 -0.00829 -0.00586 0.00000
|
|
102 5PY 0.00000 0.00131 0.00081 0.00104 0.00000
|
|
103 5PZ -0.00009 0.00000 0.00000 0.00000 0.00112
|
|
104 6PX 0.00000 -0.00899 -0.00957 -0.00319 0.00000
|
|
105 6PY 0.00000 0.00219 -0.00111 0.00027 0.00000
|
|
106 6PZ 0.00079 0.00000 0.00000 0.00000 0.00355
|
|
107 7PX 0.00000 0.00556 0.00702 0.00440 0.00000
|
|
108 7PY 0.00000 -0.00378 -0.00397 0.00795 0.00000
|
|
109 7PZ 0.00035 0.00000 0.00000 0.00000 0.00045
|
|
110 8D 0 0.00000 -0.00108 -0.00106 -0.00080 0.00000
|
|
111 8D+1 0.00010 0.00000 0.00000 0.00000 -0.00058
|
|
112 8D-1 0.00002 0.00000 0.00000 0.00000 0.00027
|
|
113 8D+2 0.00000 0.00138 0.00173 0.00116 0.00000
|
|
114 8D-2 0.00000 -0.00096 -0.00029 -0.00016 0.00000
|
|
115 9D 0 0.00000 0.00042 0.00047 0.00002 0.00000
|
|
116 9D+1 -0.00068 0.00000 0.00000 0.00000 -0.00039
|
|
117 9D-1 0.00006 0.00000 0.00000 0.00000 -0.00007
|
|
118 9D+2 0.00000 -0.00081 -0.00110 -0.00350 0.00000
|
|
119 9D-2 0.00000 0.00039 0.00118 0.00002 0.00000
|
|
120 4 H 1S 0.00000 0.05561 -0.07250 -0.11770 0.00000
|
|
121 2S 0.00000 0.07509 -0.08009 -0.15401 0.00000
|
|
122 3S 0.00000 -0.00806 -0.00687 0.07710 0.00000
|
|
123 4S 0.00000 -0.00036 -0.00160 0.00273 0.00000
|
|
124 5PX 0.00000 0.00567 -0.00741 -0.00897 0.00000
|
|
125 5PY 0.00000 -0.00212 0.00115 0.00554 0.00000
|
|
126 5PZ 0.00003 0.00000 0.00000 0.00000 0.00472
|
|
127 6PX 0.00000 0.00339 -0.00247 0.00044 0.00000
|
|
128 6PY 0.00000 -0.00567 -0.00610 0.00472 0.00000
|
|
129 6PZ 0.00011 0.00000 0.00000 0.00000 0.01189
|
|
130 7PX 0.00000 -0.00738 0.00514 0.02948 0.00000
|
|
131 7PY 0.00000 0.00018 -0.00610 -0.00574 0.00000
|
|
132 7PZ 0.00163 0.00000 0.00000 0.00000 0.00135
|
|
133 8D 0 0.00000 -0.00086 0.00063 0.00106 0.00000
|
|
134 8D+1 0.00002 0.00000 0.00000 0.00000 0.00199
|
|
135 8D-1 0.00001 0.00000 0.00000 0.00000 -0.00054
|
|
136 8D+2 0.00000 0.00038 -0.00145 -0.00086 0.00000
|
|
137 8D-2 0.00000 -0.00109 0.00008 0.00205 0.00000
|
|
138 9D 0 0.00000 0.00224 -0.00165 -0.00099 0.00000
|
|
139 9D+1 0.00013 0.00000 0.00000 0.00000 0.00157
|
|
140 9D-1 -0.00030 0.00000 0.00000 0.00000 -0.00059
|
|
141 9D+2 0.00000 -0.00277 0.00232 0.00227 0.00000
|
|
142 9D-2 0.00000 0.00057 -0.00315 -0.00151 0.00000
|
|
143 5 H 1S 0.00008 0.05379 -0.06966 0.07989 0.13609
|
|
144 2S -0.00136 0.07446 -0.07550 0.09944 0.17752
|
|
145 3S -0.01420 0.01350 0.01102 -0.04325 -0.04251
|
|
146 4S -0.00029 0.00164 0.00330 -0.00428 -0.00749
|
|
147 5PX -0.00001 -0.00249 0.00343 -0.00008 -0.00669
|
|
148 5PY 0.00005 -0.00243 0.00155 -0.00240 -0.00594
|
|
149 5PZ 0.00004 -0.00462 0.00617 -0.00740 -0.00799
|
|
150 6PX 0.00020 -0.00151 0.00142 0.00864 -0.00601
|
|
151 6PY 0.00002 -0.00589 -0.00344 0.00348 -0.00236
|
|
152 6PZ 0.00026 -0.00351 0.00243 -0.00535 0.00364
|
|
153 7PX 0.00071 0.00093 -0.00309 0.01355 0.01118
|
|
154 7PY 0.00143 0.00184 -0.00491 0.00851 0.00884
|
|
155 7PZ 0.00276 0.00196 -0.00933 0.01241 0.02029
|
|
156 8D 0 0.00001 0.00029 -0.00102 0.00195 0.00018
|
|
157 8D+1 0.00000 0.00067 -0.00108 0.00007 0.00180
|
|
158 8D-1 -0.00004 0.00103 -0.00027 0.00090 0.00161
|
|
159 8D+2 0.00005 -0.00044 -0.00044 -0.00033 0.00030
|
|
160 8D-2 -0.00002 0.00051 -0.00024 -0.00030 0.00135
|
|
161 9D 0 0.00010 -0.00217 0.00101 0.00082 -0.00177
|
|
162 9D+1 -0.00002 -0.00251 0.00186 -0.00168 -0.00116
|
|
163 9D-1 0.00022 -0.00097 0.00222 -0.00095 -0.00159
|
|
164 9D+2 0.00015 -0.00079 -0.00090 -0.00004 0.00082
|
|
165 9D-2 0.00025 -0.00045 0.00086 -0.00186 -0.00050
|
|
166 6 H 1S -0.00008 0.05379 -0.06966 0.07989 -0.13609
|
|
167 2S 0.00136 0.07446 -0.07550 0.09944 -0.17752
|
|
168 3S 0.01420 0.01350 0.01102 -0.04325 0.04251
|
|
169 4S 0.00029 0.00164 0.00330 -0.00428 0.00749
|
|
170 5PX 0.00001 -0.00249 0.00343 -0.00008 0.00669
|
|
171 5PY -0.00005 -0.00243 0.00155 -0.00240 0.00594
|
|
172 5PZ 0.00004 0.00462 -0.00617 0.00740 -0.00799
|
|
173 6PX -0.00020 -0.00151 0.00142 0.00864 0.00601
|
|
174 6PY -0.00002 -0.00589 -0.00344 0.00348 0.00236
|
|
175 6PZ 0.00026 0.00351 -0.00243 0.00535 0.00364
|
|
176 7PX -0.00071 0.00093 -0.00309 0.01355 -0.01118
|
|
177 7PY -0.00143 0.00184 -0.00491 0.00851 -0.00884
|
|
178 7PZ 0.00276 -0.00196 0.00933 -0.01241 0.02029
|
|
179 8D 0 -0.00001 0.00029 -0.00102 0.00195 -0.00018
|
|
180 8D+1 0.00000 -0.00067 0.00108 -0.00007 0.00180
|
|
181 8D-1 -0.00004 -0.00103 0.00027 -0.00090 0.00161
|
|
182 8D+2 -0.00005 -0.00044 -0.00044 -0.00033 -0.00030
|
|
183 8D-2 0.00002 0.00051 -0.00024 -0.00030 -0.00135
|
|
184 9D 0 -0.00010 -0.00217 0.00101 0.00082 0.00177
|
|
185 9D+1 -0.00002 0.00251 -0.00186 0.00168 -0.00116
|
|
186 9D-1 0.00022 0.00097 -0.00222 0.00095 -0.00159
|
|
187 9D+2 -0.00015 -0.00079 -0.00090 -0.00004 -0.00082
|
|
188 9D-2 -0.00025 -0.00045 0.00086 -0.00186 0.00050
|
|
11 12 13 14 15
|
|
O O O V V
|
|
Eigenvalues -- -0.52667 -0.45867 -0.35778 0.02935 0.04082
|
|
1 1 C 1S -0.00410 -0.01242 0.00000 -0.02339 0.01077
|
|
2 2S 0.01200 0.03265 0.00000 0.06675 -0.03186
|
|
3 3S 0.00157 0.00570 0.00000 -0.00224 -0.00059
|
|
4 4S -0.10732 -0.03596 0.00000 2.57754 -1.00067
|
|
5 5S -0.00872 -0.00885 0.00000 3.84397 -0.96532
|
|
6 6PX 0.12836 -0.05390 0.00000 0.00119 0.01357
|
|
7 6PY -0.13513 -0.13008 0.00000 0.01440 0.00751
|
|
8 6PZ 0.00000 0.00000 -0.06116 0.00000 0.00000
|
|
9 7PX 0.16741 -0.07283 0.00000 0.00303 0.07333
|
|
10 7PY -0.18726 -0.17934 0.00000 0.07889 -0.02181
|
|
11 7PZ 0.00000 0.00000 -0.08171 0.00000 0.00000
|
|
12 8PX 0.12722 -0.07408 0.00000 -0.11487 0.77464
|
|
13 8PY -0.12832 -0.12436 0.00000 0.30036 -0.48575
|
|
14 8PZ 0.00000 0.00000 -0.05579 0.00000 0.00000
|
|
15 9PX 0.01136 -0.00390 0.00000 0.13608 1.16038
|
|
16 9PY -0.01314 -0.00644 0.00000 -0.04055 -0.72629
|
|
17 9PZ 0.00000 0.00000 -0.01246 0.00000 0.00000
|
|
18 10D 0 0.00171 -0.00841 0.00000 0.00123 0.00047
|
|
19 10D+1 0.00000 0.00000 -0.00544 0.00000 0.00000
|
|
20 10D-1 0.00000 0.00000 -0.01109 0.00000 0.00000
|
|
21 10D+2 -0.01468 -0.00403 0.00000 0.00136 -0.00216
|
|
22 10D-2 0.00663 -0.00616 0.00000 -0.00057 -0.00026
|
|
23 11D 0 -0.00298 -0.02671 0.00000 0.02380 0.01297
|
|
24 11D+1 0.00000 0.00000 -0.01129 0.00000 0.00000
|
|
25 11D-1 0.00000 0.00000 -0.02636 0.00000 0.00000
|
|
26 11D+2 -0.04352 -0.01685 0.00000 0.04430 -0.04946
|
|
27 11D-2 0.00961 -0.01400 0.00000 0.00461 0.01511
|
|
28 12D 0 -0.00106 -0.01799 0.00000 -0.02489 0.06969
|
|
29 12D+1 0.00000 0.00000 -0.00175 0.00000 0.00000
|
|
30 12D-1 0.00000 0.00000 0.00062 0.00000 0.00000
|
|
31 12D+2 -0.01487 0.00091 0.00000 0.11990 -0.17287
|
|
32 12D-2 -0.00155 -0.00190 0.00000 0.00112 0.06456
|
|
33 13F 0 0.00000 0.00000 -0.00194 0.00000 0.00000
|
|
34 13F+1 -0.00090 -0.00108 0.00000 0.00608 -0.00217
|
|
35 13F-1 0.00238 0.00154 0.00000 0.00315 0.00106
|
|
36 13F+2 0.00000 0.00000 -0.00240 0.00000 0.00000
|
|
37 13F-2 0.00000 0.00000 -0.00060 0.00000 0.00000
|
|
38 13F+3 0.00144 -0.00147 0.00000 -0.00247 0.00139
|
|
39 13F-3 0.00273 0.00230 0.00000 0.00331 -0.00174
|
|
40 14F 0 0.00000 0.00000 -0.00175 0.00000 0.00000
|
|
41 14F+1 -0.01095 -0.00686 0.00000 0.04020 -0.01847
|
|
42 14F-1 0.00237 -0.00034 0.00000 0.02075 -0.01605
|
|
43 14F+2 0.00000 0.00000 -0.00346 0.00000 0.00000
|
|
44 14F-2 0.00000 0.00000 -0.00151 0.00000 0.00000
|
|
45 14F+3 0.00269 -0.00005 0.00000 -0.01003 0.01424
|
|
46 14F-3 -0.00126 0.00135 0.00000 0.03158 -0.00613
|
|
47 2 S 1S 0.00634 -0.02428 0.00000 0.00398 0.00466
|
|
48 2S -0.02542 0.09425 0.00000 -0.01842 -0.02173
|
|
49 3S 0.04743 -0.19653 0.00000 0.02694 0.02970
|
|
50 4S 0.00866 -0.03309 0.00000 0.00305 -0.00275
|
|
51 5S 0.00906 -0.23773 0.00000 0.31176 0.64493
|
|
52 6S -0.00503 -0.02573 0.00000 0.54180 1.15587
|
|
53 7PX 0.10107 -0.13015 0.00000 -0.01290 -0.01735
|
|
54 7PY -0.11123 -0.14462 0.00000 0.01600 -0.00376
|
|
55 7PZ 0.00000 0.00000 -0.23290 0.00000 0.00000
|
|
56 8PX -0.21634 0.27491 0.00000 0.04884 0.08329
|
|
57 8PY 0.22703 0.30464 0.00000 -0.07961 0.01915
|
|
58 8PZ 0.00000 0.00000 0.51678 0.00000 0.00000
|
|
59 9PX -0.08587 0.11544 0.00000 0.01073 0.01349
|
|
60 9PY 0.09344 0.12622 0.00000 -0.00967 0.00311
|
|
61 9PZ 0.00000 0.00000 0.21396 0.00000 0.00000
|
|
62 10PX -0.10496 0.17899 0.00000 0.51250 0.81533
|
|
63 10PY 0.08550 0.15687 0.00000 -0.13282 -0.33453
|
|
64 10PZ 0.00000 0.00000 0.39181 0.00000 0.00000
|
|
65 11PX 0.00334 0.00786 0.00000 0.24047 0.91405
|
|
66 11PY -0.00366 0.00958 0.00000 -0.21043 -0.61146
|
|
67 11PZ 0.00000 0.00000 0.04052 0.00000 0.00000
|
|
68 12D 0 0.00606 -0.02832 0.00000 -0.00655 -0.02183
|
|
69 12D+1 0.00000 0.00000 0.00466 0.00000 0.00000
|
|
70 12D-1 0.00000 0.00000 -0.00171 0.00000 0.00000
|
|
71 12D+2 -0.05420 -0.00500 0.00000 0.05084 0.06096
|
|
72 12D-2 0.01674 -0.00429 0.00000 0.00088 -0.00331
|
|
73 13D 0 0.00457 -0.02741 0.00000 -0.00421 -0.00027
|
|
74 13D+1 0.00000 0.00000 0.00505 0.00000 0.00000
|
|
75 13D-1 0.00000 0.00000 -0.00131 0.00000 0.00000
|
|
76 13D+2 -0.05105 -0.00360 0.00000 -0.00626 0.00511
|
|
77 13D-2 0.01611 -0.00457 0.00000 -0.00114 0.00288
|
|
78 14D 0 0.00105 -0.01149 0.00000 -0.06426 -0.07128
|
|
79 14D+1 0.00000 0.00000 0.00365 0.00000 0.00000
|
|
80 14D-1 0.00000 0.00000 0.00826 0.00000 0.00000
|
|
81 14D+2 -0.00934 0.00261 0.00000 0.10692 0.33991
|
|
82 14D-2 -0.00205 0.01072 0.00000 0.03714 -0.01898
|
|
83 15F 0 0.00000 0.00000 -0.00502 0.00000 0.00000
|
|
84 15F+1 0.00690 -0.00479 0.00000 -0.00289 -0.00255
|
|
85 15F-1 -0.00655 -0.00612 0.00000 0.00067 -0.00028
|
|
86 15F+2 0.00000 0.00000 0.00133 0.00000 0.00000
|
|
87 15F-2 0.00000 0.00000 -0.00205 0.00000 0.00000
|
|
88 15F+3 -0.00987 0.00587 0.00000 0.00224 0.00210
|
|
89 15F-3 -0.00241 -0.00703 0.00000 -0.00255 -0.00121
|
|
90 16F 0 0.00000 0.00000 -0.00419 0.00000 0.00000
|
|
91 16F+1 0.00097 -0.00097 0.00000 -0.01191 -0.02034
|
|
92 16F-1 0.00007 -0.00130 0.00000 0.00265 0.00498
|
|
93 16F+2 0.00000 0.00000 0.00031 0.00000 0.00000
|
|
94 16F-2 0.00000 0.00000 -0.00146 0.00000 0.00000
|
|
95 16F+3 -0.00213 -0.00054 0.00000 0.00995 0.03100
|
|
96 16F-3 -0.00014 0.00074 0.00000 0.01243 0.01832
|
|
97 3 H 1S -0.11512 0.07360 0.00000 -0.00041 0.00584
|
|
98 2S -0.17551 0.13120 0.00000 -0.05793 -0.08499
|
|
99 3S -0.08507 0.03071 0.00000 -1.01889 -1.84666
|
|
100 4S -0.01123 0.00015 0.00000 -0.72918 -3.16126
|
|
101 5PX 0.00834 -0.00402 0.00000 -0.00365 -0.00569
|
|
102 5PY 0.00112 0.00379 0.00000 0.00042 0.00242
|
|
103 5PZ 0.00000 0.00000 0.00564 0.00000 0.00000
|
|
104 6PX 0.00213 -0.00235 0.00000 0.03598 0.05931
|
|
105 6PY 0.00573 0.00911 0.00000 -0.01446 -0.01954
|
|
106 6PZ 0.00000 0.00000 0.01914 0.00000 0.00000
|
|
107 7PX -0.00349 0.01204 0.00000 0.26506 0.54177
|
|
108 7PY -0.00114 -0.00813 0.00000 -0.15262 -0.12630
|
|
109 7PZ 0.00000 0.00000 0.01119 0.00000 0.00000
|
|
110 8D 0 0.00038 -0.00103 0.00000 0.00037 0.00091
|
|
111 8D+1 0.00000 0.00000 -0.00247 0.00000 0.00000
|
|
112 8D-1 0.00000 0.00000 0.00031 0.00000 0.00000
|
|
113 8D+2 -0.00130 0.00064 0.00000 -0.00132 -0.00119
|
|
114 8D-2 -0.00114 -0.00205 0.00000 0.00009 0.00014
|
|
115 9D 0 -0.00041 0.00071 0.00000 0.00943 0.01269
|
|
116 9D+1 0.00000 0.00000 -0.00303 0.00000 0.00000
|
|
117 9D-1 0.00000 0.00000 -0.00002 0.00000 0.00000
|
|
118 9D+2 0.00399 -0.00250 0.00000 -0.00694 -0.02002
|
|
119 9D-2 -0.00232 0.00015 0.00000 0.01402 0.02205
|
|
120 4 H 1S -0.12157 0.02208 0.00000 0.00702 -0.00824
|
|
121 2S -0.14414 0.03693 0.00000 -0.20699 0.19784
|
|
122 3S -0.01375 -0.00416 0.00000 -1.36567 1.84281
|
|
123 4S 0.01255 -0.00037 0.00000 -0.48674 3.80775
|
|
124 5PX -0.00983 0.00071 0.00000 0.00255 -0.00144
|
|
125 5PY 0.00030 -0.00290 0.00000 0.00028 0.00158
|
|
126 5PZ 0.00000 0.00000 -0.00109 0.00000 0.00000
|
|
127 6PX -0.00006 -0.00052 0.00000 -0.07165 0.06744
|
|
128 6PY -0.01071 -0.01081 0.00000 0.01678 -0.02673
|
|
129 6PZ 0.00000 0.00000 -0.00267 0.00000 0.00000
|
|
130 7PX 0.01121 -0.00142 0.00000 -0.26243 0.39141
|
|
131 7PY -0.00437 0.00206 0.00000 0.11786 -0.13866
|
|
132 7PZ 0.00000 0.00000 0.00395 0.00000 0.00000
|
|
133 8D 0 0.00076 -0.00033 0.00000 0.00171 -0.00172
|
|
134 8D+1 0.00000 0.00000 -0.00045 0.00000 0.00000
|
|
135 8D-1 0.00000 0.00000 -0.00019 0.00000 0.00000
|
|
136 8D+2 -0.00266 -0.00065 0.00000 -0.00281 0.00275
|
|
137 8D-2 -0.00055 -0.00152 0.00000 0.00172 -0.00178
|
|
138 9D 0 -0.00153 -0.00068 0.00000 0.00039 -0.00500
|
|
139 9D+1 0.00000 0.00000 0.00005 0.00000 0.00000
|
|
140 9D-1 0.00000 0.00000 -0.00080 0.00000 0.00000
|
|
141 9D+2 -0.00160 -0.00155 0.00000 0.00002 0.00029
|
|
142 9D-2 -0.00219 -0.00170 0.00000 0.00214 -0.00805
|
|
143 5 H 1S 0.00879 -0.04989 -0.04964 0.00598 0.00005
|
|
144 2S 0.03443 -0.05478 -0.07434 -0.18682 0.04473
|
|
145 3S 0.02566 -0.00026 -0.08830 -1.12225 -0.03127
|
|
146 4S 0.00065 -0.00001 -0.00415 -1.12948 -0.37466
|
|
147 5PX 0.00220 0.00132 0.00189 -0.00149 0.00136
|
|
148 5PY -0.00302 -0.00106 0.00059 -0.00083 -0.00028
|
|
149 5PZ -0.00066 0.00428 0.00246 -0.00268 0.00009
|
|
150 6PX 0.00595 -0.00233 0.00210 0.03062 -0.01602
|
|
151 6PY -0.01403 -0.01281 -0.00140 0.03159 0.00477
|
|
152 6PZ -0.00399 0.00155 -0.00063 0.06326 -0.00823
|
|
153 7PX -0.00498 -0.00794 0.00446 0.05482 -0.08912
|
|
154 7PY 0.00060 -0.00310 0.00071 0.13839 0.05153
|
|
155 7PZ -0.00449 -0.00458 0.00914 0.22083 -0.01422
|
|
156 8D 0 -0.00003 -0.00156 -0.00038 -0.00210 0.00032
|
|
157 8D+1 -0.00077 -0.00064 -0.00068 -0.00222 -0.00018
|
|
158 8D-1 0.00148 0.00076 -0.00024 -0.00198 0.00044
|
|
159 8D+2 -0.00141 -0.00092 -0.00035 -0.00035 -0.00014
|
|
160 8D-2 0.00045 0.00044 -0.00008 -0.00129 -0.00032
|
|
161 9D 0 -0.00028 -0.00121 0.00047 -0.00322 -0.00521
|
|
162 9D+1 -0.00059 0.00064 -0.00003 0.00053 0.01021
|
|
163 9D-1 0.00131 0.00201 0.00056 -0.00966 -0.00367
|
|
164 9D+2 -0.00203 -0.00187 -0.00035 0.00030 0.00971
|
|
165 9D-2 0.00076 0.00154 0.00035 -0.00178 -0.00123
|
|
166 6 H 1S 0.00879 -0.04989 0.04964 0.00598 0.00005
|
|
167 2S 0.03443 -0.05478 0.07434 -0.18682 0.04473
|
|
168 3S 0.02566 -0.00026 0.08830 -1.12225 -0.03127
|
|
169 4S 0.00065 -0.00001 0.00415 -1.12948 -0.37466
|
|
170 5PX 0.00220 0.00132 -0.00189 -0.00149 0.00136
|
|
171 5PY -0.00302 -0.00106 -0.00059 -0.00083 -0.00028
|
|
172 5PZ 0.00066 -0.00428 0.00246 0.00268 -0.00009
|
|
173 6PX 0.00595 -0.00233 -0.00210 0.03062 -0.01602
|
|
174 6PY -0.01403 -0.01281 0.00140 0.03159 0.00477
|
|
175 6PZ 0.00399 -0.00155 -0.00063 -0.06326 0.00823
|
|
176 7PX -0.00498 -0.00794 -0.00446 0.05482 -0.08912
|
|
177 7PY 0.00060 -0.00310 -0.00071 0.13839 0.05153
|
|
178 7PZ 0.00449 0.00458 0.00914 -0.22083 0.01422
|
|
179 8D 0 -0.00003 -0.00156 0.00038 -0.00210 0.00032
|
|
180 8D+1 0.00077 0.00064 -0.00068 0.00222 0.00018
|
|
181 8D-1 -0.00148 -0.00076 -0.00024 0.00198 -0.00044
|
|
182 8D+2 -0.00141 -0.00092 0.00035 -0.00035 -0.00014
|
|
183 8D-2 0.00045 0.00044 0.00008 -0.00129 -0.00032
|
|
184 9D 0 -0.00028 -0.00121 -0.00047 -0.00322 -0.00521
|
|
185 9D+1 0.00059 -0.00064 -0.00003 -0.00053 -0.01021
|
|
186 9D-1 -0.00131 -0.00201 0.00056 0.00966 0.00367
|
|
187 9D+2 -0.00203 -0.00187 0.00035 0.00030 0.00971
|
|
188 9D-2 0.00076 0.00154 -0.00035 -0.00178 -0.00123
|
|
16 17 18 19 20
|
|
V V V V V
|
|
Eigenvalues -- 0.04693 0.05101 0.08501 0.09795 0.11554
|
|
1 1 C 1S 0.00000 -0.00790 0.01533 -0.01630 0.01055
|
|
2 2S 0.00000 0.01713 -0.02232 0.03106 -0.02916
|
|
3 3S 0.00000 -0.00314 0.00876 -0.00657 -0.01756
|
|
4 4S 0.00000 0.74786 -1.15758 0.70593 1.11394
|
|
5 5S 0.00000 2.03481 -6.53275 0.47683 0.60086
|
|
6 6PX 0.00000 0.02082 0.00705 0.00266 -0.01512
|
|
7 6PY 0.00000 -0.01021 0.01805 -0.02720 0.00089
|
|
8 6PZ -0.02438 0.00000 0.00000 0.00000 0.00000
|
|
9 7PX 0.00000 0.12236 0.03558 0.04624 -0.10492
|
|
10 7PY 0.00000 0.00760 0.03397 -0.03802 0.03301
|
|
11 7PZ -0.13799 0.00000 0.00000 0.00000 0.00000
|
|
12 8PX 0.00000 1.26454 0.34063 0.05237 1.34958
|
|
13 8PY 0.00000 -0.04301 1.78855 0.82611 1.11829
|
|
14 8PZ -1.55084 0.00000 0.00000 0.00000 0.00000
|
|
15 9PX 0.00000 1.83045 0.96125 -1.07438 4.09645
|
|
16 9PY 0.00000 -0.30470 4.05689 2.26921 2.32057
|
|
17 9PZ -2.43039 0.00000 0.00000 0.00000 0.00000
|
|
18 10D 0 0.00000 0.00373 -0.00357 -0.00123 -0.00469
|
|
19 10D+1 -0.00259 0.00000 0.00000 0.00000 0.00000
|
|
20 10D-1 -0.00038 0.00000 0.00000 0.00000 0.00000
|
|
21 10D+2 0.00000 0.00173 -0.00699 -0.00407 0.00178
|
|
22 10D-2 0.00000 0.00095 0.00094 0.00051 -0.00164
|
|
23 11D 0 0.00000 0.04112 0.03477 0.01533 -0.02289
|
|
24 11D+1 -0.04772 0.00000 0.00000 0.00000 0.00000
|
|
25 11D-1 -0.06079 0.00000 0.00000 0.00000 0.00000
|
|
26 11D+2 0.00000 -0.03300 0.06436 -0.05244 0.02408
|
|
27 11D-2 0.00000 0.05237 0.01388 -0.01149 0.01863
|
|
28 12D 0 0.00000 -0.05177 0.18516 0.20654 0.51676
|
|
29 12D+1 -0.04121 0.00000 0.00000 0.00000 0.00000
|
|
30 12D-1 -0.28896 0.00000 0.00000 0.00000 0.00000
|
|
31 12D+2 0.00000 -0.09370 0.53891 -0.03901 -0.08776
|
|
32 12D-2 0.00000 0.30227 0.25324 0.18691 -0.32095
|
|
33 13F 0 -0.00027 0.00000 0.00000 0.00000 0.00000
|
|
34 13F+1 0.00000 0.00162 -0.00089 0.00108 0.00340
|
|
35 13F-1 0.00000 0.00250 -0.00084 0.00248 0.00190
|
|
36 13F+2 0.00014 0.00000 0.00000 0.00000 0.00000
|
|
37 13F-2 -0.00294 0.00000 0.00000 0.00000 0.00000
|
|
38 13F+3 0.00000 0.00024 0.00053 -0.00188 0.00269
|
|
39 13F-3 0.00000 -0.00097 -0.00146 0.00044 0.00115
|
|
40 14F 0 -0.00618 0.00000 0.00000 0.00000 0.00000
|
|
41 14F+1 0.00000 0.00982 -0.00009 0.00588 0.00592
|
|
42 14F-1 0.00000 0.02666 -0.03464 0.02108 0.00864
|
|
43 14F+2 -0.00603 0.00000 0.00000 0.00000 0.00000
|
|
44 14F-2 -0.01424 0.00000 0.00000 0.00000 0.00000
|
|
45 14F+3 0.00000 0.00740 0.01174 0.00275 -0.05130
|
|
46 14F-3 0.00000 0.00816 -0.02430 0.00837 0.01320
|
|
47 2 S 1S 0.00000 -0.00642 0.00547 0.00284 -0.00028
|
|
48 2S 0.00000 0.03540 -0.04636 -0.00805 0.00011
|
|
49 3S 0.00000 -0.03022 -0.00905 0.02811 -0.00654
|
|
50 4S 0.00000 0.00409 -0.01967 -0.00089 -0.01212
|
|
51 5S 0.00000 -0.92483 0.94703 0.69529 0.80364
|
|
52 6S 0.00000 -2.98661 7.97291 0.68222 1.41780
|
|
53 7PX 0.00000 0.00216 0.02646 -0.01692 0.00851
|
|
54 7PY 0.00000 -0.00051 -0.00615 0.00261 -0.01578
|
|
55 7PZ 0.01341 0.00000 0.00000 0.00000 0.00000
|
|
56 8PX 0.00000 -0.04383 -0.05998 0.02533 0.05907
|
|
57 8PY 0.00000 -0.01402 0.03973 0.08879 0.06729
|
|
58 8PZ -0.02846 0.00000 0.00000 0.00000 0.00000
|
|
59 9PX 0.00000 0.00013 -0.02497 0.01481 -0.01138
|
|
60 9PY 0.00000 0.00254 -0.00113 -0.00870 0.01156
|
|
61 9PZ -0.01354 0.00000 0.00000 0.00000 0.00000
|
|
62 10PX 0.00000 -0.61353 0.05450 0.51658 -0.46504
|
|
63 10PY 0.00000 -0.16467 2.01522 -0.54052 0.40811
|
|
64 10PZ -0.02395 0.00000 0.00000 0.00000 0.00000
|
|
65 11PX 0.00000 -0.57963 -0.46318 0.62795 -2.64661
|
|
66 11PY 0.00000 -0.38310 3.97665 -1.49478 0.42560
|
|
67 11PZ 0.21363 0.00000 0.00000 0.00000 0.00000
|
|
68 12D 0 0.00000 0.02184 -0.05763 -0.01977 -0.06563
|
|
69 12D+1 0.01037 0.00000 0.00000 0.00000 0.00000
|
|
70 12D-1 -0.00424 0.00000 0.00000 0.00000 0.00000
|
|
71 12D+2 0.00000 -0.01372 -0.07337 -0.02992 0.06065
|
|
72 12D-2 0.00000 0.01981 -0.01282 -0.01707 -0.03293
|
|
73 13D 0 0.00000 -0.00175 0.00467 -0.00325 -0.00784
|
|
74 13D+1 -0.00003 0.00000 0.00000 0.00000 0.00000
|
|
75 13D-1 -0.00455 0.00000 0.00000 0.00000 0.00000
|
|
76 13D+2 0.00000 -0.00303 0.01634 -0.02666 0.01374
|
|
77 13D-2 0.00000 0.00245 -0.00015 0.00070 0.00534
|
|
78 14D 0 0.00000 0.16743 -0.35935 0.14518 -0.01296
|
|
79 14D+1 -0.02420 0.00000 0.00000 0.00000 0.00000
|
|
80 14D-1 0.01552 0.00000 0.00000 0.00000 0.00000
|
|
81 14D+2 0.00000 -0.09553 -0.58827 0.44206 -0.07756
|
|
82 14D-2 0.00000 0.10463 0.17590 -0.09162 -0.49139
|
|
83 15F 0 0.00277 0.00000 0.00000 0.00000 0.00000
|
|
84 15F+1 0.00000 0.00153 0.00138 0.00436 -0.00999
|
|
85 15F-1 0.00000 -0.00110 0.00135 -0.00731 0.00228
|
|
86 15F+2 0.00340 0.00000 0.00000 0.00000 0.00000
|
|
87 15F-2 0.00099 0.00000 0.00000 0.00000 0.00000
|
|
88 15F+3 0.00000 -0.00453 0.00332 -0.00511 -0.00001
|
|
89 15F-3 0.00000 0.00236 -0.00063 -0.00547 -0.00237
|
|
90 16F 0 -0.00581 0.00000 0.00000 0.00000 0.00000
|
|
91 16F+1 0.00000 0.01118 -0.01208 -0.02184 0.02157
|
|
92 16F-1 0.00000 0.00977 -0.05312 0.05273 -0.01311
|
|
93 16F+2 -0.00718 0.00000 0.00000 0.00000 0.00000
|
|
94 16F-2 -0.00357 0.00000 0.00000 0.00000 0.00000
|
|
95 16F+3 0.00000 -0.01524 -0.01382 0.02195 0.09499
|
|
96 16F-3 0.00000 0.01382 -0.05928 0.01390 0.01360
|
|
97 3 H 1S 0.00000 0.00050 -0.00023 -0.01867 0.02578
|
|
98 2S 0.00000 0.07251 -0.00661 -0.11541 -0.05736
|
|
99 3S 0.00000 1.52250 -0.05305 -0.67824 0.18543
|
|
100 4S 0.00000 1.72502 3.95613 0.28209 1.74160
|
|
101 5PX 0.00000 0.00392 -0.00176 -0.00077 0.00023
|
|
102 5PY 0.00000 -0.00064 0.00166 -0.00383 0.00024
|
|
103 5PZ -0.00035 0.00000 0.00000 0.00000 0.00000
|
|
104 6PX 0.00000 -0.04769 0.03150 -0.00043 0.04443
|
|
105 6PY 0.00000 0.00331 -0.00435 0.01230 0.01103
|
|
106 6PZ 0.00288 0.00000 0.00000 0.00000 0.00000
|
|
107 7PX 0.00000 -0.53579 -0.18518 0.17865 0.29222
|
|
108 7PY 0.00000 0.00407 -0.06619 0.33273 -0.04274
|
|
109 7PZ -0.01094 0.00000 0.00000 0.00000 0.00000
|
|
110 8D 0 0.00000 -0.00038 0.00203 0.00092 -0.00142
|
|
111 8D+1 0.00015 0.00000 0.00000 0.00000 0.00000
|
|
112 8D-1 0.00022 0.00000 0.00000 0.00000 0.00000
|
|
113 8D+2 0.00000 0.00102 -0.00144 0.00263 -0.00329
|
|
114 8D-2 0.00000 -0.00041 0.00007 0.00063 -0.00120
|
|
115 9D 0 0.00000 -0.01614 -0.00502 -0.02929 0.02398
|
|
116 9D+1 0.00500 0.00000 0.00000 0.00000 0.00000
|
|
117 9D-1 -0.00263 0.00000 0.00000 0.00000 0.00000
|
|
118 9D+2 0.00000 0.02823 0.00737 -0.02571 -0.02265
|
|
119 9D-2 0.00000 0.00413 -0.01027 -0.03574 0.03062
|
|
120 4 H 1S 0.00000 -0.00659 -0.00541 -0.00610 0.01030
|
|
121 2S 0.00000 0.11676 0.05034 -0.04953 0.00440
|
|
122 3S 0.00000 1.85291 0.15633 0.71625 0.22769
|
|
123 4S 0.00000 4.61925 2.04308 -0.74833 2.71828
|
|
124 5PX 0.00000 -0.00111 -0.00155 -0.00025 0.00396
|
|
125 5PY 0.00000 -0.00036 0.00378 0.00413 0.00234
|
|
126 5PZ -0.00297 0.00000 0.00000 0.00000 0.00000
|
|
127 6PX 0.00000 0.04778 0.02846 0.01779 -0.07915
|
|
128 6PY 0.00000 -0.01283 -0.01872 -0.03801 -0.00091
|
|
129 6PZ 0.02202 0.00000 0.00000 0.00000 0.00000
|
|
130 7PX 0.00000 0.53158 0.04514 0.35716 -0.82963
|
|
131 7PY 0.00000 -0.12776 0.12785 -0.46191 -0.26503
|
|
132 7PZ 0.32362 0.00000 0.00000 0.00000 0.00000
|
|
133 8D 0 0.00000 -0.00114 -0.00135 0.00074 -0.00019
|
|
134 8D+1 -0.00090 0.00000 0.00000 0.00000 0.00000
|
|
135 8D-1 0.00069 0.00000 0.00000 0.00000 0.00000
|
|
136 8D+2 0.00000 0.00195 0.00222 0.00087 -0.00114
|
|
137 8D-2 0.00000 -0.00061 0.00015 0.00061 0.00170
|
|
138 9D 0 0.00000 -0.00921 -0.00013 -0.04118 0.03845
|
|
139 9D+1 0.03600 0.00000 0.00000 0.00000 0.00000
|
|
140 9D-1 -0.00686 0.00000 0.00000 0.00000 0.00000
|
|
141 9D+2 0.00000 0.01066 -0.00024 -0.00996 -0.09049
|
|
142 9D-2 0.00000 -0.01483 -0.01004 -0.07018 0.03640
|
|
143 5 H 1S -0.00814 0.00558 0.00005 -0.00244 -0.00491
|
|
144 2S 0.18080 -0.14144 0.03338 -0.14761 -0.19168
|
|
145 3S 2.06571 -1.26013 -0.78866 -0.40184 -1.24081
|
|
146 4S 5.21240 -2.86643 -3.08604 -0.07461 -2.76602
|
|
147 5PX 0.00169 0.00152 0.00123 -0.00107 0.00416
|
|
148 5PY 0.00129 -0.00145 0.00300 0.00459 0.00340
|
|
149 5PZ 0.00026 -0.00210 -0.00109 0.00103 0.00003
|
|
150 6PX -0.03813 0.01401 -0.01640 0.02530 -0.01135
|
|
151 6PY -0.02467 0.01490 -0.00417 -0.02804 -0.00888
|
|
152 6PZ -0.05003 0.05675 -0.00141 0.01119 0.03206
|
|
153 7PX -0.35857 -0.05924 -0.08108 0.28423 -0.19615
|
|
154 7PY -0.15873 0.04093 0.13469 -0.48407 -0.14455
|
|
155 7PZ -0.35274 0.42426 0.28850 0.09030 -0.01873
|
|
156 8D 0 0.00241 -0.00150 0.00082 0.00056 -0.00014
|
|
157 8D+1 0.00238 -0.00247 0.00095 -0.00090 -0.00216
|
|
158 8D-1 0.00140 -0.00078 -0.00059 -0.00169 -0.00130
|
|
159 8D+2 0.00029 -0.00074 0.00041 0.00099 0.00026
|
|
160 8D-2 0.00041 -0.00090 -0.00052 -0.00008 -0.00152
|
|
161 9D 0 -0.00716 -0.02220 -0.00918 -0.01679 -0.02565
|
|
162 9D+1 0.01171 0.00758 0.01011 -0.01667 0.05131
|
|
163 9D-1 0.00837 -0.00933 -0.00357 0.04616 0.05229
|
|
164 9D+2 0.00636 0.00676 0.01236 -0.05065 0.00665
|
|
165 9D-2 0.00955 0.00338 0.00232 0.00661 0.03381
|
|
166 6 H 1S 0.00814 0.00558 0.00005 -0.00244 -0.00491
|
|
167 2S -0.18080 -0.14144 0.03338 -0.14761 -0.19168
|
|
168 3S -2.06571 -1.26013 -0.78866 -0.40184 -1.24081
|
|
169 4S -5.21240 -2.86643 -3.08604 -0.07461 -2.76602
|
|
170 5PX -0.00169 0.00152 0.00123 -0.00107 0.00416
|
|
171 5PY -0.00129 -0.00145 0.00300 0.00459 0.00340
|
|
172 5PZ 0.00026 0.00210 0.00109 -0.00103 -0.00003
|
|
173 6PX 0.03813 0.01401 -0.01640 0.02530 -0.01135
|
|
174 6PY 0.02467 0.01490 -0.00417 -0.02804 -0.00888
|
|
175 6PZ -0.05003 -0.05675 0.00141 -0.01119 -0.03206
|
|
176 7PX 0.35857 -0.05924 -0.08108 0.28423 -0.19615
|
|
177 7PY 0.15873 0.04093 0.13469 -0.48407 -0.14455
|
|
178 7PZ -0.35274 -0.42426 -0.28850 -0.09030 0.01873
|
|
179 8D 0 -0.00241 -0.00150 0.00082 0.00056 -0.00014
|
|
180 8D+1 0.00238 0.00247 -0.00095 0.00090 0.00216
|
|
181 8D-1 0.00140 0.00078 0.00059 0.00169 0.00130
|
|
182 8D+2 -0.00029 -0.00074 0.00041 0.00099 0.00026
|
|
183 8D-2 -0.00041 -0.00090 -0.00052 -0.00008 -0.00152
|
|
184 9D 0 0.00716 -0.02220 -0.00918 -0.01679 -0.02565
|
|
185 9D+1 0.01171 -0.00758 -0.01011 0.01667 -0.05131
|
|
186 9D-1 0.00837 0.00933 0.00357 -0.04616 -0.05229
|
|
187 9D+2 -0.00636 0.00676 0.01236 -0.05065 0.00665
|
|
188 9D-2 -0.00955 0.00338 0.00232 0.00661 0.03381
|
|
21 22 23 24 25
|
|
V V V V V
|
|
Eigenvalues -- 0.11645 0.13351 0.13569 0.13922 0.17442
|
|
1 1 C 1S 0.00000 0.00000 0.05564 0.00204 -0.02535
|
|
2 2S 0.00000 0.00000 -0.16177 -0.01317 0.08313
|
|
3 3S 0.00000 0.00000 -0.09714 -0.02789 0.05492
|
|
4 4S 0.00000 0.00000 7.02475 2.72328 -4.07368
|
|
5 5S 0.00000 0.00000 10.14918 4.73209 -8.11270
|
|
6 6PX 0.00000 0.00000 0.01854 -0.03433 0.04571
|
|
7 6PY 0.00000 0.00000 -0.00275 -0.03249 -0.01024
|
|
8 6PZ 0.01121 0.03857 0.00000 0.00000 0.00000
|
|
9 7PX 0.00000 0.00000 -0.00138 0.03199 -0.06342
|
|
10 7PY 0.00000 0.00000 0.18429 -0.01194 -0.12283
|
|
11 7PZ 0.15026 0.02001 0.00000 0.00000 0.00000
|
|
12 8PX 0.00000 0.00000 -1.60492 1.89708 -2.15648
|
|
13 8PY 0.00000 0.00000 0.85097 -0.56508 0.15300
|
|
14 8PZ 0.33103 -3.30751 0.00000 0.00000 0.00000
|
|
15 9PX 0.00000 0.00000 -2.28738 2.53152 -2.15837
|
|
16 9PY 0.00000 0.00000 0.18271 -1.93067 2.10926
|
|
17 9PZ -2.36774 -5.28730 0.00000 0.00000 0.00000
|
|
18 10D 0 0.00000 0.00000 0.00461 0.00146 -0.00497
|
|
19 10D+1 0.00160 0.00543 0.00000 0.00000 0.00000
|
|
20 10D-1 0.00587 0.00003 0.00000 0.00000 0.00000
|
|
21 10D+2 0.00000 0.00000 0.00396 0.00417 -0.00114
|
|
22 10D-2 0.00000 0.00000 0.00183 0.00272 0.00343
|
|
23 11D 0 0.00000 0.00000 0.03406 0.09463 -0.08989
|
|
24 11D+1 0.12546 -0.09804 0.00000 0.00000 0.00000
|
|
25 11D-1 0.05429 -0.10081 0.00000 0.00000 0.00000
|
|
26 11D+2 0.00000 0.00000 0.12327 -0.02509 0.01290
|
|
27 11D-2 0.00000 0.00000 -0.02696 0.06149 -0.10579
|
|
28 12D 0 0.00000 0.00000 -0.33037 0.66077 0.04875
|
|
29 12D+1 0.10932 -1.15813 0.00000 0.00000 0.00000
|
|
30 12D-1 0.49605 -0.16620 0.00000 0.00000 0.00000
|
|
31 12D+2 0.00000 0.00000 0.39675 -0.40464 0.21307
|
|
32 12D-2 0.00000 0.00000 -0.11381 0.21532 -0.96298
|
|
33 13F 0 0.00112 -0.00446 0.00000 0.00000 0.00000
|
|
34 13F+1 0.00000 0.00000 0.01595 0.00761 -0.00822
|
|
35 13F-1 0.00000 0.00000 0.00607 0.00908 -0.00717
|
|
36 13F+2 0.00031 -0.00462 0.00000 0.00000 0.00000
|
|
37 13F-2 0.00425 -0.00653 0.00000 0.00000 0.00000
|
|
38 13F+3 0.00000 0.00000 -0.00806 0.00169 0.00273
|
|
39 13F-3 0.00000 0.00000 0.00888 0.00121 -0.00276
|
|
40 14F 0 0.01682 0.00997 0.00000 0.00000 0.00000
|
|
41 14F+1 0.00000 0.00000 0.11318 0.04033 -0.07247
|
|
42 14F-1 0.00000 0.00000 0.07140 0.01184 -0.07914
|
|
43 14F+2 0.00621 0.04446 0.00000 0.00000 0.00000
|
|
44 14F-2 0.02482 -0.02186 0.00000 0.00000 0.00000
|
|
45 14F+3 0.00000 0.00000 -0.03020 -0.00706 0.01498
|
|
46 14F-3 0.00000 0.00000 0.09498 0.03529 -0.04510
|
|
47 2 S 1S 0.00000 0.00000 -0.00382 -0.01033 -0.02154
|
|
48 2S 0.00000 0.00000 0.01356 0.03057 0.04408
|
|
49 3S 0.00000 0.00000 -0.03379 -0.10559 -0.26709
|
|
50 4S 0.00000 0.00000 -0.00377 -0.02732 -0.08110
|
|
51 5S 0.00000 0.00000 0.37871 1.06639 3.11873
|
|
52 6S 0.00000 0.00000 -1.40762 0.23979 9.63941
|
|
53 7PX 0.00000 0.00000 0.01516 0.05269 0.06288
|
|
54 7PY 0.00000 0.00000 -0.04818 0.00487 0.00218
|
|
55 7PZ 0.04699 -0.03193 0.00000 0.00000 0.00000
|
|
56 8PX 0.00000 0.00000 -0.01337 -0.02824 0.02356
|
|
57 8PY 0.00000 0.00000 0.02059 -0.01870 0.07043
|
|
58 8PZ -0.06754 0.02266 0.00000 0.00000 0.00000
|
|
59 9PX 0.00000 0.00000 -0.01320 -0.05759 -0.06584
|
|
60 9PY 0.00000 0.00000 0.05487 0.00007 -0.00989
|
|
61 9PZ -0.05581 0.03814 0.00000 0.00000 0.00000
|
|
62 10PX 0.00000 0.00000 0.90925 1.55740 2.12252
|
|
63 10PY 0.00000 0.00000 -0.54270 -1.23272 0.51806
|
|
64 10PZ 0.13344 0.53936 0.00000 0.00000 0.00000
|
|
65 11PX 0.00000 0.00000 0.29095 2.56739 0.15613
|
|
66 11PY 0.00000 0.00000 -1.00415 -2.15655 1.56613
|
|
67 11PZ 2.43361 0.26909 0.00000 0.00000 0.00000
|
|
68 12D 0 0.00000 0.00000 0.03776 -0.00273 -0.15565
|
|
69 12D+1 -0.01440 0.00576 0.00000 0.00000 0.00000
|
|
70 12D-1 -0.02961 0.08742 0.00000 0.00000 0.00000
|
|
71 12D+2 0.00000 0.00000 0.16153 0.15189 0.09817
|
|
72 12D-2 0.00000 0.00000 0.01512 -0.05872 -0.02673
|
|
73 13D 0 0.00000 0.00000 0.00607 -0.00780 -0.03129
|
|
74 13D+1 0.00372 0.01028 0.00000 0.00000 0.00000
|
|
75 13D-1 -0.00156 -0.00719 0.00000 0.00000 0.00000
|
|
76 13D+2 0.00000 0.00000 0.02223 -0.01507 0.02566
|
|
77 13D-2 0.00000 0.00000 -0.00165 -0.00123 -0.00697
|
|
78 14D 0 0.00000 0.00000 0.06767 -0.24763 -0.51150
|
|
79 14D+1 0.13528 -0.01685 0.00000 0.00000 0.00000
|
|
80 14D-1 0.47916 0.23907 0.00000 0.00000 0.00000
|
|
81 14D+2 0.00000 0.00000 0.36328 0.98182 0.41494
|
|
82 14D-2 0.00000 0.00000 0.08970 -0.04649 -0.38321
|
|
83 15F 0 0.01144 -0.00336 0.00000 0.00000 0.00000
|
|
84 15F+1 0.00000 0.00000 -0.00603 0.00182 -0.01368
|
|
85 15F-1 0.00000 0.00000 0.00189 -0.00085 -0.00236
|
|
86 15F+2 0.00558 0.00492 0.00000 0.00000 0.00000
|
|
87 15F-2 -0.00225 -0.00189 0.00000 0.00000 0.00000
|
|
88 15F+3 0.00000 0.00000 0.00719 0.00548 0.01462
|
|
89 15F-3 0.00000 0.00000 0.00042 -0.00570 -0.01025
|
|
90 16F 0 -0.05153 -0.01826 0.00000 0.00000 0.00000
|
|
91 16F+1 0.00000 0.00000 -0.01610 -0.05693 -0.03150
|
|
92 16F-1 0.00000 0.00000 0.03831 0.02264 -0.01865
|
|
93 16F+2 -0.04782 -0.08422 0.00000 0.00000 0.00000
|
|
94 16F-2 0.01765 0.02249 0.00000 0.00000 0.00000
|
|
95 16F+3 0.00000 0.00000 -0.00453 0.08245 0.06475
|
|
96 16F-3 0.00000 0.00000 0.03639 0.06457 -0.02193
|
|
97 3 H 1S 0.00000 0.00000 0.02251 -0.00299 0.06567
|
|
98 2S 0.00000 0.00000 -0.04986 -0.18289 -0.14297
|
|
99 3S 0.00000 0.00000 -1.45063 -4.48577 -5.24480
|
|
100 4S 0.00000 0.00000 -0.17328 -4.36827 -0.63364
|
|
101 5PX 0.00000 0.00000 -0.00034 -0.00252 -0.00330
|
|
102 5PY 0.00000 0.00000 0.00149 0.00159 0.00046
|
|
103 5PZ -0.00278 0.00113 0.00000 0.00000 0.00000
|
|
104 6PX 0.00000 0.00000 0.05889 0.16284 0.21352
|
|
105 6PY 0.00000 0.00000 -0.00047 -0.04600 -0.03912
|
|
106 6PZ 0.01662 0.01654 0.00000 0.00000 0.00000
|
|
107 7PX 0.00000 0.00000 0.60463 1.15124 2.42194
|
|
108 7PY 0.00000 0.00000 -0.13744 -0.24507 -0.33386
|
|
109 7PZ -0.16376 0.32204 0.00000 0.00000 0.00000
|
|
110 8D 0 0.00000 0.00000 0.00108 0.00354 0.00153
|
|
111 8D+1 -0.00008 0.00016 0.00000 0.00000 0.00000
|
|
112 8D-1 0.00028 -0.00279 0.00000 0.00000 0.00000
|
|
113 8D+2 0.00000 0.00000 -0.00241 -0.00469 -0.00583
|
|
114 8D-2 0.00000 0.00000 0.00012 0.00089 0.00126
|
|
115 9D 0 0.00000 0.00000 0.01394 0.01306 0.07016
|
|
116 9D+1 0.00410 -0.03675 0.00000 0.00000 0.00000
|
|
117 9D-1 -0.00840 0.02834 0.00000 0.00000 0.00000
|
|
118 9D+2 0.00000 0.00000 -0.02599 -0.03664 -0.10939
|
|
119 9D-2 0.00000 0.00000 0.00549 0.03607 0.03655
|
|
120 4 H 1S 0.00000 0.00000 0.00074 0.00593 -0.01313
|
|
121 2S 0.00000 0.00000 -0.80574 0.08855 0.01436
|
|
122 3S 0.00000 0.00000 -5.57617 2.87181 -2.65846
|
|
123 4S 0.00000 0.00000 -4.18677 4.64820 -3.08454
|
|
124 5PX 0.00000 0.00000 -0.00573 0.00259 -0.00191
|
|
125 5PY 0.00000 0.00000 0.00264 -0.00074 0.00079
|
|
126 5PZ -0.00078 -0.00647 0.00000 0.00000 0.00000
|
|
127 6PX 0.00000 0.00000 -0.26569 0.00733 0.00430
|
|
128 6PY 0.00000 0.00000 0.06199 -0.02822 -0.04889
|
|
129 6PZ 0.03184 0.01871 0.00000 0.00000 0.00000
|
|
130 7PX 0.00000 0.00000 -0.87473 0.30272 -0.76346
|
|
131 7PY 0.00000 0.00000 0.23519 -0.26781 -0.33162
|
|
132 7PZ 0.34524 -0.03589 0.00000 0.00000 0.00000
|
|
133 8D 0 0.00000 0.00000 0.00782 0.00028 -0.00062
|
|
134 8D+1 0.00065 -0.00241 0.00000 0.00000 0.00000
|
|
135 8D-1 0.00100 0.00039 0.00000 0.00000 0.00000
|
|
136 8D+2 0.00000 0.00000 -0.01238 0.00122 0.00015
|
|
137 8D-2 0.00000 0.00000 0.00683 -0.00155 -0.00072
|
|
138 9D 0 0.00000 0.00000 -0.02142 -0.00938 -0.00067
|
|
139 9D+1 0.05169 0.04997 0.00000 0.00000 0.00000
|
|
140 9D-1 -0.03018 0.02546 0.00000 0.00000 0.00000
|
|
141 9D+2 0.00000 0.00000 0.01694 -0.04516 -0.01883
|
|
142 9D-2 0.00000 0.00000 -0.02780 0.00496 -0.02508
|
|
143 5 H 1S 0.01214 0.00931 0.01116 0.00165 -0.00162
|
|
144 2S -0.13884 0.40429 -0.49233 -0.34029 0.48132
|
|
145 3S -1.65319 4.44079 -2.10708 -2.62760 3.69208
|
|
146 4S 0.34075 5.88503 0.07631 -1.19763 1.78728
|
|
147 5PX -0.00078 0.00060 -0.00196 0.00478 -0.00291
|
|
148 5PY 0.00049 -0.00012 0.00231 -0.00131 -0.00049
|
|
149 5PZ -0.00094 -0.00710 0.00206 0.00208 -0.00044
|
|
150 6PX 0.03453 -0.05071 0.11636 0.03115 -0.05484
|
|
151 6PY 0.02579 -0.03398 0.07745 0.05812 -0.07335
|
|
152 6PZ 0.07999 -0.04502 0.17951 0.10379 -0.18167
|
|
153 7PX 0.30498 -0.04326 0.39393 0.13426 0.01109
|
|
154 7PY 0.17556 -0.52794 0.09784 0.34207 -0.28051
|
|
155 7PZ 0.77768 -0.06546 0.55846 0.22654 -1.10428
|
|
156 8D 0 -0.00203 0.00464 -0.00650 -0.00337 0.00598
|
|
157 8D+1 -0.00147 0.00346 -0.00674 -0.00539 0.00662
|
|
158 8D-1 -0.00201 0.00299 -0.00629 -0.00353 0.00439
|
|
159 8D+2 -0.00013 0.00045 -0.00051 -0.00049 0.00178
|
|
160 8D-2 -0.00130 0.00132 -0.00316 -0.00238 0.00211
|
|
161 9D 0 -0.03456 -0.09296 -0.00586 -0.00735 0.03566
|
|
162 9D+1 -0.03111 -0.03302 -0.03142 0.03198 -0.01735
|
|
163 9D-1 -0.03849 -0.04796 -0.01627 0.00521 0.02127
|
|
164 9D+2 0.01315 -0.02465 -0.03774 0.02116 -0.02516
|
|
165 9D-2 -0.00966 -0.03001 -0.00708 -0.00880 0.00542
|
|
166 6 H 1S -0.01214 -0.00931 0.01116 0.00165 -0.00162
|
|
167 2S 0.13884 -0.40429 -0.49233 -0.34029 0.48132
|
|
168 3S 1.65319 -4.44079 -2.10708 -2.62760 3.69208
|
|
169 4S -0.34075 -5.88503 0.07631 -1.19763 1.78728
|
|
170 5PX 0.00078 -0.00060 -0.00196 0.00478 -0.00291
|
|
171 5PY -0.00049 0.00012 0.00231 -0.00131 -0.00049
|
|
172 5PZ -0.00094 -0.00710 -0.00206 -0.00208 0.00044
|
|
173 6PX -0.03453 0.05071 0.11636 0.03115 -0.05484
|
|
174 6PY -0.02579 0.03398 0.07745 0.05812 -0.07335
|
|
175 6PZ 0.07999 -0.04502 -0.17951 -0.10379 0.18167
|
|
176 7PX -0.30498 0.04326 0.39393 0.13426 0.01109
|
|
177 7PY -0.17556 0.52794 0.09784 0.34207 -0.28051
|
|
178 7PZ 0.77768 -0.06546 -0.55846 -0.22654 1.10428
|
|
179 8D 0 0.00203 -0.00464 -0.00650 -0.00337 0.00598
|
|
180 8D+1 -0.00147 0.00346 0.00674 0.00539 -0.00662
|
|
181 8D-1 -0.00201 0.00299 0.00629 0.00353 -0.00439
|
|
182 8D+2 0.00013 -0.00045 -0.00051 -0.00049 0.00178
|
|
183 8D-2 0.00130 -0.00132 -0.00316 -0.00238 0.00211
|
|
184 9D 0 0.03456 0.09296 -0.00586 -0.00735 0.03566
|
|
185 9D+1 -0.03111 -0.03302 0.03142 -0.03198 0.01735
|
|
186 9D-1 -0.03849 -0.04796 0.01627 -0.00521 -0.02127
|
|
187 9D+2 -0.01315 0.02465 -0.03774 0.02116 -0.02516
|
|
188 9D-2 0.00966 0.03001 -0.00708 -0.00880 0.00542
|
|
26 27 28 29 30
|
|
V V V V V
|
|
Eigenvalues -- 0.19726 0.21009 0.21814 0.24335 0.26188
|
|
1 1 C 1S 0.00000 -0.02014 -0.01491 0.01177 0.00000
|
|
2 2S 0.00000 0.08798 0.06539 -0.04856 0.00000
|
|
3 3S 0.00000 0.01427 0.04164 -0.00530 0.00000
|
|
4 4S 0.00000 2.34103 -2.45286 -1.77395 0.00000
|
|
5 5S 0.00000 -1.71877 -6.41262 -5.55649 0.00000
|
|
6 6PX 0.00000 0.05636 -0.07921 0.01849 0.00000
|
|
7 6PY 0.00000 -0.12252 -0.04795 0.07979 0.00000
|
|
8 6PZ 0.09647 0.00000 0.00000 0.00000 0.06625
|
|
9 7PX 0.00000 -0.18930 0.21821 -0.11304 0.00000
|
|
10 7PY 0.00000 -0.11257 -0.06500 0.04890 0.00000
|
|
11 7PZ -0.27007 0.00000 0.00000 0.00000 -0.22562
|
|
12 8PX 0.00000 -1.69189 1.54301 -0.96377 0.00000
|
|
13 8PY 0.00000 2.14772 1.64783 -1.00605 0.00000
|
|
14 8PZ -2.88358 0.00000 0.00000 0.00000 -1.82272
|
|
15 9PX 0.00000 0.18688 1.42832 0.48388 0.00000
|
|
16 9PY 0.00000 2.01034 3.46940 1.21755 0.00000
|
|
17 9PZ -1.85730 0.00000 0.00000 0.00000 1.32833
|
|
18 10D 0 0.00000 -0.00815 0.01172 -0.00259 0.00000
|
|
19 10D+1 -0.01806 0.00000 0.00000 0.00000 -0.00150
|
|
20 10D-1 -0.00465 0.00000 0.00000 0.00000 -0.02102
|
|
21 10D+2 0.00000 0.00561 -0.01375 -0.00444 0.00000
|
|
22 10D-2 0.00000 -0.01017 0.00142 -0.01590 0.00000
|
|
23 11D 0 0.00000 -0.03134 0.10262 -0.22525 0.00000
|
|
24 11D+1 -0.11343 0.00000 0.00000 0.00000 -0.36052
|
|
25 11D-1 -0.22233 0.00000 0.00000 0.00000 0.01692
|
|
26 11D+2 0.00000 0.24671 -0.00624 0.11535 0.00000
|
|
27 11D-2 0.00000 -0.08480 0.12734 -0.01544 0.00000
|
|
28 12D 0 0.00000 0.57841 -1.08778 -1.04708 0.00000
|
|
29 12D+1 1.31172 0.00000 0.00000 0.00000 -1.73371
|
|
30 12D-1 -1.77587 0.00000 0.00000 0.00000 2.26514
|
|
31 12D+2 0.00000 0.75317 1.06872 0.09442 0.00000
|
|
32 12D-2 0.00000 -0.42181 1.02525 1.70192 0.00000
|
|
33 13F 0 0.00097 0.00000 0.00000 0.00000 -0.00269
|
|
34 13F+1 0.00000 0.00580 -0.00362 -0.00739 0.00000
|
|
35 13F-1 0.00000 -0.00302 -0.00102 -0.00758 0.00000
|
|
36 13F+2 0.00220 0.00000 0.00000 0.00000 -0.00128
|
|
37 13F-2 -0.00623 0.00000 0.00000 0.00000 -0.00897
|
|
38 13F+3 0.00000 -0.00451 0.00064 -0.00532 0.00000
|
|
39 13F-3 0.00000 0.00674 -0.00595 -0.00019 0.00000
|
|
40 14F 0 -0.04297 0.00000 0.00000 0.00000 -0.09150
|
|
41 14F+1 0.00000 0.04746 -0.02007 -0.00158 0.00000
|
|
42 14F-1 0.00000 -0.02815 -0.02342 -0.07491 0.00000
|
|
43 14F+2 -0.05834 0.00000 0.00000 0.00000 -0.08517
|
|
44 14F-2 -0.03674 0.00000 0.00000 0.00000 -0.09261
|
|
45 14F+3 0.00000 -0.06940 0.09504 -0.06088 0.00000
|
|
46 14F-3 0.00000 -0.00248 -0.03028 0.01514 0.00000
|
|
47 2 S 1S 0.00000 -0.01263 -0.01400 0.00192 0.00000
|
|
48 2S 0.00000 0.01741 0.01705 -0.01419 0.00000
|
|
49 3S 0.00000 -0.17477 -0.20281 -0.00434 0.00000
|
|
50 4S 0.00000 -0.04563 -0.07005 -0.03361 0.00000
|
|
51 5S 0.00000 0.51796 1.21408 1.02355 0.00000
|
|
52 6S 0.00000 6.24931 9.86136 7.05506 0.00000
|
|
53 7PX 0.00000 -0.05934 -0.03557 -0.02155 0.00000
|
|
54 7PY 0.00000 0.07976 0.01084 -0.04042 0.00000
|
|
55 7PZ -0.00403 0.00000 0.00000 0.00000 0.02670
|
|
56 8PX 0.00000 0.14545 0.09834 0.03559 0.00000
|
|
57 8PY 0.00000 -0.21406 -0.07317 0.08205 0.00000
|
|
58 8PZ 0.06381 0.00000 0.00000 0.00000 -0.10784
|
|
59 9PX 0.00000 0.05555 0.03614 0.02399 0.00000
|
|
60 9PY 0.00000 -0.07428 -0.00857 0.04119 0.00000
|
|
61 9PZ -0.00057 0.00000 0.00000 0.00000 -0.02559
|
|
62 10PX 0.00000 -0.41553 1.88041 3.09757 0.00000
|
|
63 10PY 0.00000 2.15047 2.53391 -1.26225 0.00000
|
|
64 10PZ -0.56221 0.00000 0.00000 0.00000 0.36046
|
|
65 11PX 0.00000 -0.72172 -1.48241 0.27369 0.00000
|
|
66 11PY 0.00000 2.23300 3.43165 0.68056 0.00000
|
|
67 11PZ 0.27056 0.00000 0.00000 0.00000 -0.59944
|
|
68 12D 0 0.00000 -0.05981 -0.12900 -0.04115 0.00000
|
|
69 12D+1 0.03503 0.00000 0.00000 0.00000 -0.04824
|
|
70 12D-1 -0.06703 0.00000 0.00000 0.00000 0.04739
|
|
71 12D+2 0.00000 -0.16984 -0.04786 0.10656 0.00000
|
|
72 12D-2 0.00000 -0.01951 0.08508 -0.03339 0.00000
|
|
73 13D 0 0.00000 -0.00727 0.02417 0.05458 0.00000
|
|
74 13D+1 -0.04416 0.00000 0.00000 0.00000 0.03130
|
|
75 13D-1 0.02049 0.00000 0.00000 0.00000 0.04492
|
|
76 13D+2 0.00000 -0.06320 -0.02040 0.01249 0.00000
|
|
77 13D-2 0.00000 0.02102 -0.02562 0.04860 0.00000
|
|
78 14D 0 0.00000 -0.57770 -0.20231 -0.06612 0.00000
|
|
79 14D+1 -0.11283 0.00000 0.00000 0.00000 -0.12896
|
|
80 14D-1 -0.45415 0.00000 0.00000 0.00000 0.74946
|
|
81 14D+2 0.00000 -1.03391 -0.78379 0.94451 0.00000
|
|
82 14D-2 0.00000 -0.17054 0.56921 -0.27491 0.00000
|
|
83 15F 0 0.00415 0.00000 0.00000 0.00000 0.00119
|
|
84 15F+1 0.00000 0.00027 -0.00876 -0.00090 0.00000
|
|
85 15F-1 0.00000 0.00348 -0.00283 -0.00174 0.00000
|
|
86 15F+2 -0.00552 0.00000 0.00000 0.00000 0.01085
|
|
87 15F-2 0.00444 0.00000 0.00000 0.00000 0.00289
|
|
88 15F+3 0.00000 -0.00772 0.00888 0.00011 0.00000
|
|
89 15F-3 0.00000 -0.00720 -0.00646 0.00157 0.00000
|
|
90 16F 0 -0.00533 0.00000 0.00000 0.00000 0.02413
|
|
91 16F+1 0.00000 0.00656 -0.03114 -0.05343 0.00000
|
|
92 16F-1 0.00000 -0.08420 -0.04198 0.02789 0.00000
|
|
93 16F+2 0.10209 0.00000 0.00000 0.00000 -0.08132
|
|
94 16F-2 -0.04879 0.00000 0.00000 0.00000 -0.00015
|
|
95 16F+3 0.00000 0.01625 -0.03311 0.07934 0.00000
|
|
96 16F-3 0.00000 -0.07879 -0.05854 -0.07584 0.00000
|
|
97 3 H 1S 0.00000 -0.05938 -0.00156 -0.02448 0.00000
|
|
98 2S 0.00000 -0.10917 -0.18266 -0.38619 0.00000
|
|
99 3S 0.00000 0.34434 -1.60262 -5.17830 0.00000
|
|
100 4S 0.00000 1.45380 2.55219 -0.34316 0.00000
|
|
101 5PX 0.00000 -0.00335 -0.00522 -0.00719 0.00000
|
|
102 5PY 0.00000 -0.00162 0.00179 0.00486 0.00000
|
|
103 5PZ -0.00456 0.00000 0.00000 0.00000 0.00092
|
|
104 6PX 0.00000 0.01041 0.10314 0.14660 0.00000
|
|
105 6PY 0.00000 0.00724 -0.07098 0.04116 0.00000
|
|
106 6PZ -0.04229 0.00000 0.00000 0.00000 0.04578
|
|
107 7PX 0.00000 -0.56610 0.44800 1.42221 0.00000
|
|
108 7PY 0.00000 0.04803 -0.79603 1.15613 0.00000
|
|
109 7PZ -0.71407 0.00000 0.00000 0.00000 0.69560
|
|
110 8D 0 0.00000 -0.00056 0.00333 0.00481 0.00000
|
|
111 8D+1 -0.00117 0.00000 0.00000 0.00000 0.00299
|
|
112 8D-1 0.00352 0.00000 0.00000 0.00000 0.00265
|
|
113 8D+2 0.00000 -0.00245 -0.00248 0.00089 0.00000
|
|
114 8D-2 0.00000 -0.00032 0.00062 0.00422 0.00000
|
|
115 9D 0 0.00000 0.00171 0.02625 -0.02432 0.00000
|
|
116 9D+1 0.09776 0.00000 0.00000 0.00000 -0.09744
|
|
117 9D-1 -0.04425 0.00000 0.00000 0.00000 0.00052
|
|
118 9D+2 0.00000 0.01217 0.00746 -0.08709 0.00000
|
|
119 9D-2 0.00000 -0.02394 0.06861 -0.13848 0.00000
|
|
120 4 H 1S 0.00000 0.03330 -0.03123 0.02032 0.00000
|
|
121 2S 0.00000 -0.48586 0.40564 -0.22603 0.00000
|
|
122 3S 0.00000 -5.84190 2.10509 -0.46076 0.00000
|
|
123 4S 0.00000 -1.34849 1.60940 0.38844 0.00000
|
|
124 5PX 0.00000 -0.00340 0.00389 -0.00246 0.00000
|
|
125 5PY 0.00000 0.00004 -0.00057 0.00226 0.00000
|
|
126 5PZ -0.00001 0.00000 0.00000 0.00000 0.00692
|
|
127 6PX 0.00000 -0.26719 0.24482 -0.05671 0.00000
|
|
128 6PY 0.00000 0.08044 -0.09136 0.11450 0.00000
|
|
129 6PZ 0.08366 0.00000 0.00000 0.00000 -0.12508
|
|
130 7PX 0.00000 -2.43688 2.11818 -0.06596 0.00000
|
|
131 7PY 0.00000 0.85580 0.18982 2.19787 0.00000
|
|
132 7PZ 1.66404 0.00000 0.00000 0.00000 -1.63636
|
|
133 8D 0 0.00000 0.00466 -0.00642 -0.00030 0.00000
|
|
134 8D+1 0.00195 0.00000 0.00000 0.00000 -0.00547
|
|
135 8D-1 0.00060 0.00000 0.00000 0.00000 0.00286
|
|
136 8D+2 0.00000 -0.00797 0.00751 -0.00296 0.00000
|
|
137 8D-2 0.00000 0.00415 -0.00370 0.00100 0.00000
|
|
138 9D 0 0.00000 0.06740 -0.03297 0.04974 0.00000
|
|
139 9D+1 0.09284 0.00000 0.00000 0.00000 -0.11573
|
|
140 9D-1 -0.03338 0.00000 0.00000 0.00000 -0.07324
|
|
141 9D+2 0.00000 -0.07113 0.14224 0.07370 0.00000
|
|
142 9D-2 0.00000 0.09976 -0.09160 0.13755 0.00000
|
|
143 5 H 1S -0.02088 -0.01248 0.00425 -0.01985 -0.02988
|
|
144 2S 0.39355 -0.06285 0.06838 0.26289 0.42688
|
|
145 3S 4.61172 -0.47146 -1.48064 2.32142 3.10366
|
|
146 4S 2.90309 -0.68273 -2.37074 -0.00367 -0.31955
|
|
147 5PX -0.00146 0.00138 -0.00176 -0.00032 -0.00618
|
|
148 5PY -0.00342 -0.00296 0.00047 0.00194 0.00042
|
|
149 5PZ -0.00237 0.00028 0.00023 -0.00377 -0.00462
|
|
150 6PX -0.14640 0.00079 -0.01888 -0.10787 -0.00948
|
|
151 6PY -0.05927 -0.01987 0.00576 -0.07038 -0.20033
|
|
152 6PZ -0.19077 -0.00977 0.07880 -0.06391 -0.15129
|
|
153 7PX -1.95202 0.03474 -0.70112 -1.08920 0.38011
|
|
154 7PY 0.22040 0.17855 0.08331 -1.16712 -2.84585
|
|
155 7PZ -1.74996 -0.34420 1.58203 -0.02562 -1.41994
|
|
156 8D 0 0.00476 0.00047 -0.00255 0.00071 0.00470
|
|
157 8D+1 0.00744 0.00064 -0.00003 0.00470 0.00214
|
|
158 8D-1 0.00396 0.00013 0.00009 0.00092 0.00472
|
|
159 8D+2 0.00060 -0.00020 -0.00020 0.00186 0.00087
|
|
160 8D-2 0.00236 0.00023 -0.00134 0.00232 0.00105
|
|
161 9D 0 0.06314 0.03196 -0.07267 -0.05707 0.03986
|
|
162 9D+1 0.09590 0.02006 0.00570 0.05072 -0.00363
|
|
163 9D-1 0.06337 0.03121 -0.07438 0.06683 0.16238
|
|
164 9D+2 0.07812 0.02096 0.00974 0.01530 -0.12377
|
|
165 9D-2 0.05656 0.00531 0.01849 0.00154 0.12122
|
|
166 6 H 1S 0.02088 -0.01248 0.00425 -0.01985 0.02988
|
|
167 2S -0.39355 -0.06285 0.06838 0.26289 -0.42688
|
|
168 3S -4.61172 -0.47146 -1.48064 2.32142 -3.10366
|
|
169 4S -2.90309 -0.68273 -2.37074 -0.00367 0.31955
|
|
170 5PX 0.00146 0.00138 -0.00176 -0.00032 0.00618
|
|
171 5PY 0.00342 -0.00296 0.00047 0.00194 -0.00042
|
|
172 5PZ -0.00237 -0.00028 -0.00023 0.00377 -0.00462
|
|
173 6PX 0.14640 0.00079 -0.01888 -0.10787 0.00948
|
|
174 6PY 0.05927 -0.01987 0.00576 -0.07038 0.20033
|
|
175 6PZ -0.19077 0.00977 -0.07880 0.06391 -0.15129
|
|
176 7PX 1.95202 0.03474 -0.70112 -1.08920 -0.38011
|
|
177 7PY -0.22040 0.17855 0.08331 -1.16712 2.84585
|
|
178 7PZ -1.74996 0.34420 -1.58203 0.02562 -1.41994
|
|
179 8D 0 -0.00476 0.00047 -0.00255 0.00071 -0.00470
|
|
180 8D+1 0.00744 -0.00064 0.00003 -0.00470 0.00214
|
|
181 8D-1 0.00396 -0.00013 -0.00009 -0.00092 0.00472
|
|
182 8D+2 -0.00060 -0.00020 -0.00020 0.00186 -0.00087
|
|
183 8D-2 -0.00236 0.00023 -0.00134 0.00232 -0.00105
|
|
184 9D 0 -0.06314 0.03196 -0.07267 -0.05707 -0.03986
|
|
185 9D+1 0.09590 -0.02006 -0.00570 -0.05072 -0.00363
|
|
186 9D-1 0.06337 -0.03121 0.07438 -0.06683 0.16238
|
|
187 9D+2 -0.07812 0.02096 0.00974 0.01530 0.12377
|
|
188 9D-2 -0.05656 0.00531 0.01849 0.00154 -0.12122
|
|
31 32 33 34 35
|
|
V V V V V
|
|
Eigenvalues -- 0.26888 0.28662 0.28736 0.32137 0.33241
|
|
1 1 C 1S 0.01398 0.00000 -0.02395 0.00639 -0.04030
|
|
2 2S -0.03082 0.00000 0.06200 -0.02430 0.00874
|
|
3 3S 0.01145 0.00000 0.01933 -0.01433 -0.09957
|
|
4 4S -2.01261 0.00000 -1.07093 0.44786 2.71672
|
|
5 5S -2.51603 0.00000 4.58100 1.79689 10.09233
|
|
6 6PX 0.00817 0.00000 0.02273 0.06666 -0.03064
|
|
7 6PY 0.05369 0.00000 -0.04196 0.02612 0.01084
|
|
8 6PZ 0.00000 0.01337 0.00000 0.00000 0.00000
|
|
9 7PX -0.05050 0.00000 -0.05569 -0.15793 -0.03017
|
|
10 7PY 0.01881 0.00000 -0.08174 0.02189 0.10869
|
|
11 7PZ 0.00000 -0.10733 0.00000 0.00000 0.00000
|
|
12 8PX -0.41576 0.00000 -0.91996 2.99284 -1.43543
|
|
13 8PY -1.08448 0.00000 -3.79593 1.09359 0.76779
|
|
14 8PZ 0.00000 -0.39019 0.00000 0.00000 0.00000
|
|
15 9PX 0.39658 0.00000 0.25145 4.10192 -2.03936
|
|
16 9PY -0.58903 0.00000 -3.08385 0.50165 -0.18054
|
|
17 9PZ 0.00000 -0.10650 0.00000 0.00000 0.00000
|
|
18 10D 0 -0.01533 0.00000 -0.00393 0.01176 -0.00089
|
|
19 10D+1 0.00000 -0.01290 0.00000 0.00000 0.00000
|
|
20 10D-1 0.00000 0.00812 0.00000 0.00000 0.00000
|
|
21 10D+2 -0.00365 0.00000 -0.00786 0.00025 0.00970
|
|
22 10D-2 0.00607 0.00000 -0.00841 -0.00449 0.00615
|
|
23 11D 0 0.20922 0.00000 -0.13658 -0.09713 0.19573
|
|
24 11D+1 0.00000 0.24561 0.00000 0.00000 0.00000
|
|
25 11D-1 0.00000 -0.06555 0.00000 0.00000 0.00000
|
|
26 11D+2 -0.11903 0.00000 0.01175 -0.00452 0.09223
|
|
27 11D-2 -0.09203 0.00000 0.05469 0.08358 -0.05772
|
|
28 12D 0 1.90162 0.00000 -1.21425 0.37434 1.26031
|
|
29 12D+1 0.00000 2.47073 0.00000 0.00000 0.00000
|
|
30 12D-1 0.00000 -1.63252 0.00000 0.00000 0.00000
|
|
31 12D+2 -0.96013 0.00000 0.18231 -0.23596 0.93110
|
|
32 12D-2 -2.07315 0.00000 -0.12637 0.40796 -1.13079
|
|
33 13F 0 0.00000 0.00267 0.00000 0.00000 0.00000
|
|
34 13F+1 -0.00200 0.00000 -0.00115 0.00409 0.01869
|
|
35 13F-1 -0.00055 0.00000 -0.00269 0.00168 0.00402
|
|
36 13F+2 0.00000 0.00561 0.00000 0.00000 0.00000
|
|
37 13F-2 0.00000 0.00074 0.00000 0.00000 0.00000
|
|
38 13F+3 0.00461 0.00000 0.00315 0.00636 -0.00486
|
|
39 13F-3 -0.00156 0.00000 0.00441 0.00057 0.00672
|
|
40 14F 0 0.00000 0.01110 0.00000 0.00000 0.00000
|
|
41 14F+1 -0.01698 0.00000 -0.04798 -0.03648 0.11681
|
|
42 14F-1 0.00188 0.00000 0.00990 -0.01294 0.15587
|
|
43 14F+2 0.00000 0.00276 0.00000 0.00000 0.00000
|
|
44 14F-2 0.00000 0.05550 0.00000 0.00000 0.00000
|
|
45 14F+3 0.07645 0.00000 -0.03224 -0.09534 -0.03610
|
|
46 14F-3 -0.04653 0.00000 0.01883 0.02034 0.08365
|
|
47 2 S 1S 0.00322 0.00000 0.00655 0.00431 0.00151
|
|
48 2S -0.02514 0.00000 -0.01378 -0.00527 0.01625
|
|
49 3S -0.00447 0.00000 0.08587 0.05848 0.05743
|
|
50 4S -0.02472 0.00000 0.03632 -0.00655 -0.00186
|
|
51 5S -0.12478 0.00000 -0.09080 2.07622 2.40779
|
|
52 6S 4.35974 0.00000 -3.51753 -2.36189 -5.62408
|
|
53 7PX -0.04383 0.00000 0.02021 0.02196 0.00024
|
|
54 7PY -0.06277 0.00000 -0.02367 0.00836 0.05951
|
|
55 7PZ 0.00000 0.01551 0.00000 0.00000 0.00000
|
|
56 8PX 0.07370 0.00000 0.13717 0.20512 0.18181
|
|
57 8PY 0.12119 0.00000 -0.18211 0.09202 -0.03614
|
|
58 8PZ 0.00000 -0.02659 0.00000 0.00000 0.00000
|
|
59 9PX 0.04403 0.00000 -0.02808 -0.03837 -0.01185
|
|
60 9PY 0.06629 0.00000 0.04644 -0.01793 -0.06988
|
|
61 9PZ 0.00000 -0.01710 0.00000 0.00000 0.00000
|
|
62 10PX 0.47107 0.00000 0.35860 -0.57587 0.26083
|
|
63 10PY 0.88483 0.00000 -0.83944 -0.12723 -1.92790
|
|
64 10PZ 0.00000 -1.90855 0.00000 0.00000 0.00000
|
|
65 11PX 0.85362 0.00000 -0.21923 -1.61579 0.06171
|
|
66 11PY 0.66509 0.00000 -0.19334 -0.89508 -1.58634
|
|
67 11PZ 0.00000 -0.40386 0.00000 0.00000 0.00000
|
|
68 12D 0 -0.04716 0.00000 0.02539 -0.04219 -0.00083
|
|
69 12D+1 0.00000 -0.14094 0.00000 0.00000 0.00000
|
|
70 12D-1 0.00000 -0.02069 0.00000 0.00000 0.00000
|
|
71 12D+2 0.06734 0.00000 0.10842 0.12428 0.12841
|
|
72 12D-2 0.03975 0.00000 0.05582 -0.08324 -0.04680
|
|
73 13D 0 0.04997 0.00000 -0.02977 0.04501 0.02830
|
|
74 13D+1 0.00000 0.07409 0.00000 0.00000 0.00000
|
|
75 13D-1 0.00000 -0.03442 0.00000 0.00000 0.00000
|
|
76 13D+2 -0.00076 0.00000 -0.04968 -0.00870 -0.02860
|
|
77 13D-2 -0.03261 0.00000 0.00056 -0.02694 -0.01302
|
|
78 14D 0 -0.22202 0.00000 -0.03033 0.44705 0.73430
|
|
79 14D+1 0.00000 -0.37142 0.00000 0.00000 0.00000
|
|
80 14D-1 0.00000 -0.72630 0.00000 0.00000 0.00000
|
|
81 14D+2 0.50221 0.00000 -0.43803 0.12323 0.16786
|
|
82 14D-2 -0.50947 0.00000 0.17864 -0.72795 -0.46653
|
|
83 15F 0 0.00000 -0.01563 0.00000 0.00000 0.00000
|
|
84 15F+1 0.00115 0.00000 -0.01751 -0.01568 -0.01674
|
|
85 15F-1 0.00289 0.00000 0.00462 0.01044 -0.00126
|
|
86 15F+2 0.00000 0.00534 0.00000 0.00000 0.00000
|
|
87 15F-2 0.00000 0.00400 0.00000 0.00000 0.00000
|
|
88 15F+3 -0.00912 0.00000 0.01318 -0.00341 0.01510
|
|
89 15F-3 -0.00486 0.00000 -0.00096 -0.01157 -0.00273
|
|
90 16F 0 0.00000 0.14357 0.00000 0.00000 0.00000
|
|
91 16F+1 -0.04301 0.00000 0.06236 0.04975 0.03437
|
|
92 16F-1 -0.06387 0.00000 -0.04006 -0.00748 0.09023
|
|
93 16F+2 0.00000 -0.06173 0.00000 0.00000 0.00000
|
|
94 16F-2 0.00000 -0.01108 0.00000 0.00000 0.00000
|
|
95 16F+3 0.12788 0.00000 -0.06762 0.16055 -0.05150
|
|
96 16F-3 0.06476 0.00000 0.03221 0.10068 0.00613
|
|
97 3 H 1S -0.02972 0.00000 -0.01987 -0.00981 -0.02197
|
|
98 2S -0.18398 0.00000 0.07547 -0.18087 -0.05425
|
|
99 3S -2.97736 0.00000 -1.58223 -0.30859 -1.10344
|
|
100 4S -0.98298 0.00000 -1.42100 -0.25630 -0.12489
|
|
101 5PX -0.00803 0.00000 -0.00031 0.00055 -0.00142
|
|
102 5PY 0.00533 0.00000 0.00274 -0.00723 -0.00730
|
|
103 5PZ 0.00000 0.00617 0.00000 0.00000 0.00000
|
|
104 6PX 0.06725 0.00000 0.08739 0.11324 0.10688
|
|
105 6PY -0.09837 0.00000 -0.05026 -0.02161 0.05155
|
|
106 6PZ 0.00000 0.08789 0.00000 0.00000 0.00000
|
|
107 7PX -0.16723 0.00000 1.39608 1.00080 1.21960
|
|
108 7PY -0.81253 0.00000 -1.05110 -0.69856 0.36569
|
|
109 7PZ 0.00000 1.62206 0.00000 0.00000 0.00000
|
|
110 8D 0 0.00390 0.00000 -0.00401 -0.00094 0.00083
|
|
111 8D+1 0.00000 0.00503 0.00000 0.00000 0.00000
|
|
112 8D-1 0.00000 0.00060 0.00000 0.00000 0.00000
|
|
113 8D+2 -0.00533 0.00000 -0.00511 -0.00464 -0.00254
|
|
114 8D-2 -0.00172 0.00000 -0.00161 -0.00274 0.00552
|
|
115 9D 0 -0.03261 0.00000 0.13275 0.07637 0.06053
|
|
116 9D+1 0.00000 -0.22808 0.00000 0.00000 0.00000
|
|
117 9D-1 0.00000 0.00657 0.00000 0.00000 0.00000
|
|
118 9D+2 0.10739 0.00000 -0.05795 -0.09189 -0.11592
|
|
119 9D-2 0.10878 0.00000 0.12082 0.12774 -0.05053
|
|
120 4 H 1S -0.01349 0.00000 -0.02215 -0.03913 0.00658
|
|
121 2S 0.42990 0.00000 -0.04388 0.07923 -0.65727
|
|
122 3S 0.10115 0.00000 -3.35128 -0.16185 -3.39643
|
|
123 4S 0.71663 0.00000 -0.44149 2.41350 -2.41084
|
|
124 5PX 0.00808 0.00000 0.00139 0.00387 0.00251
|
|
125 5PY 0.00195 0.00000 -0.00654 0.00369 0.00105
|
|
126 5PZ 0.00000 -0.00339 0.00000 0.00000 0.00000
|
|
127 6PX 0.00125 0.00000 -0.04019 -0.15909 -0.16259
|
|
128 6PY -0.08209 0.00000 0.14898 0.04077 0.00279
|
|
129 6PZ 0.00000 0.13733 0.00000 0.00000 0.00000
|
|
130 7PX -1.24759 0.00000 -0.24198 -2.29192 0.98849
|
|
131 7PY -1.28247 0.00000 1.69970 0.30778 -1.48463
|
|
132 7PZ 0.00000 2.37942 0.00000 0.00000 0.00000
|
|
133 8D 0 -0.00044 0.00000 0.00077 0.00110 0.01315
|
|
134 8D+1 0.00000 0.00503 0.00000 0.00000 0.00000
|
|
135 8D-1 0.00000 0.00170 0.00000 0.00000 0.00000
|
|
136 8D+2 0.00001 0.00000 -0.00632 -0.00006 -0.00990
|
|
137 8D-2 -0.00237 0.00000 -0.00083 0.00396 0.00808
|
|
138 9D 0 0.02446 0.00000 0.03477 0.11759 -0.19884
|
|
139 9D+1 0.00000 0.16663 0.00000 0.00000 0.00000
|
|
140 9D-1 0.00000 -0.04883 0.00000 0.00000 0.00000
|
|
141 9D+2 -0.10914 0.00000 0.08773 -0.22708 0.03004
|
|
142 9D-2 -0.01453 0.00000 0.18004 0.13546 -0.13617
|
|
143 5 H 1S -0.00912 0.00448 -0.03414 0.03539 -0.01047
|
|
144 2S 0.06075 -0.17332 0.23711 -0.12658 -0.72466
|
|
145 3S 0.83458 0.29799 1.88720 0.05828 -1.92048
|
|
146 4S 0.13363 0.40553 0.75101 -1.23668 0.48144
|
|
147 5PX -0.00157 0.00387 -0.00151 0.00508 -0.00379
|
|
148 5PY -0.00096 0.00035 -0.00715 0.00207 0.00202
|
|
149 5PZ 0.00350 0.00349 -0.00535 0.00080 0.00243
|
|
150 6PX 0.05391 -0.08928 -0.04491 -0.12042 0.16893
|
|
151 6PY 0.07774 0.04811 0.03799 -0.07907 0.07297
|
|
152 6PZ -0.12390 -0.01871 -0.01192 0.00497 0.11795
|
|
153 7PX 0.90380 -1.75032 -1.12939 -1.70102 0.66943
|
|
154 7PY 1.39423 1.21858 0.51992 -1.18544 0.05299
|
|
155 7PZ -1.94497 -0.72644 -0.59416 -0.12462 -1.47559
|
|
156 8D 0 0.00404 -0.00252 -0.00424 0.00342 -0.00557
|
|
157 8D+1 -0.00013 0.00329 -0.00089 -0.00234 -0.01257
|
|
158 8D-1 -0.00007 0.00063 0.00408 0.00004 -0.00971
|
|
159 8D+2 -0.00382 0.00205 -0.00193 0.00067 0.00401
|
|
160 8D-2 -0.00073 -0.00155 0.00092 -0.00032 -0.00359
|
|
161 9D 0 0.17525 0.06148 0.01816 -0.08927 0.11660
|
|
162 9D+1 -0.01163 0.11003 0.05968 0.16804 0.05220
|
|
163 9D-1 -0.04266 -0.02731 -0.07079 0.15063 0.03342
|
|
164 9D+2 0.04468 0.10259 0.04604 0.02233 -0.12408
|
|
165 9D-2 -0.03719 0.04176 -0.01545 0.07057 -0.01055
|
|
166 6 H 1S -0.00912 -0.00448 -0.03414 0.03539 -0.01047
|
|
167 2S 0.06075 0.17332 0.23711 -0.12658 -0.72466
|
|
168 3S 0.83458 -0.29799 1.88720 0.05828 -1.92048
|
|
169 4S 0.13363 -0.40553 0.75101 -1.23668 0.48144
|
|
170 5PX -0.00157 -0.00387 -0.00151 0.00508 -0.00379
|
|
171 5PY -0.00096 -0.00035 -0.00715 0.00207 0.00202
|
|
172 5PZ -0.00350 0.00349 0.00535 -0.00080 -0.00243
|
|
173 6PX 0.05391 0.08928 -0.04491 -0.12042 0.16893
|
|
174 6PY 0.07774 -0.04811 0.03799 -0.07907 0.07297
|
|
175 6PZ 0.12390 -0.01871 0.01192 -0.00497 -0.11795
|
|
176 7PX 0.90380 1.75032 -1.12939 -1.70102 0.66943
|
|
177 7PY 1.39423 -1.21858 0.51992 -1.18544 0.05299
|
|
178 7PZ 1.94497 -0.72644 0.59416 0.12462 1.47559
|
|
179 8D 0 0.00404 0.00252 -0.00424 0.00342 -0.00557
|
|
180 8D+1 0.00013 0.00329 0.00089 0.00234 0.01257
|
|
181 8D-1 0.00007 0.00063 -0.00408 -0.00004 0.00971
|
|
182 8D+2 -0.00382 -0.00205 -0.00193 0.00067 0.00401
|
|
183 8D-2 -0.00073 0.00155 0.00092 -0.00032 -0.00359
|
|
184 9D 0 0.17525 -0.06148 0.01816 -0.08927 0.11660
|
|
185 9D+1 0.01163 0.11003 -0.05968 -0.16804 -0.05220
|
|
186 9D-1 0.04266 -0.02731 0.07079 -0.15063 -0.03342
|
|
187 9D+2 0.04468 -0.10259 0.04604 0.02233 -0.12408
|
|
188 9D-2 -0.03719 -0.04176 -0.01545 0.07057 -0.01055
|
|
36 37 38 39 40
|
|
V V V V V
|
|
Eigenvalues -- 0.33387 0.34381 0.36962 0.37746 0.39052
|
|
1 1 C 1S 0.00000 0.00000 -0.04033 -0.01368 0.00000
|
|
2 2S 0.00000 0.00000 0.06479 0.02165 0.00000
|
|
3 3S 0.00000 0.00000 -0.05548 -0.01188 0.00000
|
|
4 4S 0.00000 0.00000 4.30494 -0.02407 0.00000
|
|
5 5S 0.00000 0.00000 8.14621 2.39555 0.00000
|
|
6 6PX 0.00000 0.00000 0.05635 -0.01005 0.00000
|
|
7 6PY 0.00000 0.00000 0.02553 -0.00809 0.00000
|
|
8 6PZ 0.04820 0.05970 0.00000 0.00000 0.01208
|
|
9 7PX 0.00000 0.00000 0.15110 -0.05535 0.00000
|
|
10 7PY 0.00000 0.00000 0.16096 -0.00094 0.00000
|
|
11 7PZ -0.08200 -0.04938 0.00000 0.00000 -0.12383
|
|
12 8PX 0.00000 0.00000 4.10238 -1.68006 0.00000
|
|
13 8PY 0.00000 0.00000 1.47272 1.06862 0.00000
|
|
14 8PZ 2.99046 3.70631 0.00000 0.00000 -2.21873
|
|
15 9PX 0.00000 0.00000 3.28731 -0.24828 0.00000
|
|
16 9PY 0.00000 0.00000 -0.94387 0.18380 0.00000
|
|
17 9PZ 3.67016 4.11907 0.00000 0.00000 0.19803
|
|
18 10D 0 0.00000 0.00000 0.00519 -0.00079 0.00000
|
|
19 10D+1 0.00754 0.01253 0.00000 0.00000 0.00376
|
|
20 10D-1 -0.00249 -0.00241 0.00000 0.00000 0.00163
|
|
21 10D+2 0.00000 0.00000 -0.00409 0.00246 0.00000
|
|
22 10D-2 0.00000 0.00000 0.00060 -0.00299 0.00000
|
|
23 11D 0 0.00000 0.00000 0.06114 0.06953 0.00000
|
|
24 11D+1 0.00645 -0.10164 0.00000 0.00000 -0.27155
|
|
25 11D-1 0.05631 0.06009 0.00000 0.00000 0.03550
|
|
26 11D+2 0.00000 0.00000 0.13423 0.06623 0.00000
|
|
27 11D-2 0.00000 0.00000 0.07713 0.27638 0.00000
|
|
28 12D 0 0.00000 0.00000 0.58901 -0.07818 0.00000
|
|
29 12D+1 0.60326 0.19987 0.00000 0.00000 -1.88161
|
|
30 12D-1 0.44606 0.23648 0.00000 0.00000 -1.02471
|
|
31 12D+2 0.00000 0.00000 0.37190 0.85917 0.00000
|
|
32 12D-2 0.00000 0.00000 1.57641 2.07470 0.00000
|
|
33 13F 0 0.00645 -0.00312 0.00000 0.00000 0.00604
|
|
34 13F+1 0.00000 0.00000 0.01293 0.00669 0.00000
|
|
35 13F-1 0.00000 0.00000 0.01438 -0.00079 0.00000
|
|
36 13F+2 -0.00148 0.00556 0.00000 0.00000 0.00483
|
|
37 13F-2 0.00061 0.00446 0.00000 0.00000 -0.00397
|
|
38 13F+3 0.00000 0.00000 -0.00701 0.00424 0.00000
|
|
39 13F-3 0.00000 0.00000 0.00160 -0.00042 0.00000
|
|
40 14F 0 -0.16361 0.17292 0.00000 0.00000 -0.19232
|
|
41 14F+1 0.00000 0.00000 0.14415 -0.01600 0.00000
|
|
42 14F-1 0.00000 0.00000 0.00611 0.10702 0.00000
|
|
43 14F+2 0.08692 -0.15202 0.00000 0.00000 -0.01377
|
|
44 14F-2 0.01916 -0.05652 0.00000 0.00000 -0.01401
|
|
45 14F+3 0.00000 0.00000 -0.00260 -0.14859 0.00000
|
|
46 14F-3 0.00000 0.00000 0.14889 -0.09424 0.00000
|
|
47 2 S 1S 0.00000 0.00000 -0.00674 -0.01164 0.00000
|
|
48 2S 0.00000 0.00000 0.00327 0.06438 0.00000
|
|
49 3S 0.00000 0.00000 -0.10390 -0.05954 0.00000
|
|
50 4S 0.00000 0.00000 -0.00996 0.01868 0.00000
|
|
51 5S 0.00000 0.00000 -1.94045 -4.39540 0.00000
|
|
52 6S 0.00000 0.00000 -1.45743 -3.40526 0.00000
|
|
53 7PX 0.00000 0.00000 -0.02376 0.04810 0.00000
|
|
54 7PY 0.00000 0.00000 -0.00791 -0.00625 0.00000
|
|
55 7PZ -0.00917 0.00208 0.00000 0.00000 0.06397
|
|
56 8PX 0.00000 0.00000 -0.20286 -0.48465 0.00000
|
|
57 8PY 0.00000 0.00000 -0.02752 0.06855 0.00000
|
|
58 8PZ 0.05945 0.03031 0.00000 0.00000 -0.15203
|
|
59 9PX 0.00000 0.00000 0.03577 -0.02927 0.00000
|
|
60 9PY 0.00000 0.00000 0.01347 0.00111 0.00000
|
|
61 9PZ 0.00819 -0.00381 0.00000 0.00000 -0.06555
|
|
62 10PX 0.00000 0.00000 0.21593 -3.27315 0.00000
|
|
63 10PY 0.00000 0.00000 0.14684 2.58374 0.00000
|
|
64 10PZ 0.25301 -0.76487 0.00000 0.00000 -2.00409
|
|
65 11PX 0.00000 0.00000 1.30812 -1.16939 0.00000
|
|
66 11PY 0.00000 0.00000 -0.73450 0.55765 0.00000
|
|
67 11PZ -0.57119 -0.99198 0.00000 0.00000 -1.51248
|
|
68 12D 0 0.00000 0.00000 0.03849 0.08428 0.00000
|
|
69 12D+1 0.07939 0.03242 0.00000 0.00000 -0.04244
|
|
70 12D-1 -0.08937 -0.07773 0.00000 0.00000 0.02431
|
|
71 12D+2 0.00000 0.00000 0.04803 -0.25748 0.00000
|
|
72 12D-2 0.00000 0.00000 -0.07469 0.13626 0.00000
|
|
73 13D 0 0.00000 0.00000 -0.06413 -0.00391 0.00000
|
|
74 13D+1 0.04069 -0.02468 0.00000 0.00000 -0.06008
|
|
75 13D-1 -0.01181 -0.01493 0.00000 0.00000 -0.07837
|
|
76 13D+2 0.00000 0.00000 0.02888 0.02526 0.00000
|
|
77 13D-2 0.00000 0.00000 0.01810 -0.05596 0.00000
|
|
78 14D 0 0.00000 0.00000 -0.94270 -0.04999 0.00000
|
|
79 14D+1 0.77689 -0.41514 0.00000 0.00000 -1.26040
|
|
80 14D-1 -0.57616 -0.68628 0.00000 0.00000 -1.77716
|
|
81 14D+2 0.00000 0.00000 0.58690 -0.63333 0.00000
|
|
82 14D-2 0.00000 0.00000 0.55240 0.39481 0.00000
|
|
83 15F 0 0.00571 -0.01556 0.00000 0.00000 -0.02275
|
|
84 15F+1 0.00000 0.00000 0.01304 0.01703 0.00000
|
|
85 15F-1 0.00000 0.00000 0.00345 0.01267 0.00000
|
|
86 15F+2 -0.02000 -0.00664 0.00000 0.00000 -0.01085
|
|
87 15F-2 0.00823 0.00276 0.00000 0.00000 0.00778
|
|
88 15F+3 0.00000 0.00000 -0.00750 -0.03019 0.00000
|
|
89 15F-3 0.00000 0.00000 0.00244 -0.00730 0.00000
|
|
90 16F 0 -0.03713 0.08146 0.00000 0.00000 0.20137
|
|
91 16F+1 0.00000 0.00000 -0.10401 0.04906 0.00000
|
|
92 16F-1 0.00000 0.00000 -0.02547 -0.09854 0.00000
|
|
93 16F+2 0.18698 0.08309 0.00000 0.00000 0.03946
|
|
94 16F-2 -0.04727 -0.01856 0.00000 0.00000 -0.03141
|
|
95 16F+3 0.00000 0.00000 0.05760 0.03648 0.00000
|
|
96 16F-3 0.00000 0.00000 0.00388 0.08646 0.00000
|
|
97 3 H 1S 0.00000 0.00000 0.04662 0.03786 0.00000
|
|
98 2S 0.00000 0.00000 0.03650 0.45241 0.00000
|
|
99 3S 0.00000 0.00000 0.14240 8.59455 0.00000
|
|
100 4S 0.00000 0.00000 -0.95340 1.64150 0.00000
|
|
101 5PX 0.00000 0.00000 -0.00553 0.01619 0.00000
|
|
102 5PY 0.00000 0.00000 0.00485 -0.00405 0.00000
|
|
103 5PZ 0.00885 -0.00194 0.00000 0.00000 -0.00545
|
|
104 6PX 0.00000 0.00000 -0.04427 -0.32891 0.00000
|
|
105 6PY 0.00000 0.00000 -0.01770 -0.02116 0.00000
|
|
106 6PZ -0.07234 0.00140 0.00000 0.00000 0.02827
|
|
107 7PX 0.00000 0.00000 -2.15793 -3.79067 0.00000
|
|
108 7PY 0.00000 0.00000 0.27203 -0.75948 0.00000
|
|
109 7PZ -1.23115 0.09986 0.00000 0.00000 1.72067
|
|
110 8D 0 0.00000 0.00000 0.00235 -0.00156 0.00000
|
|
111 8D+1 -0.00916 0.00338 0.00000 0.00000 0.01000
|
|
112 8D-1 0.00175 0.00190 0.00000 0.00000 -0.00660
|
|
113 8D+2 0.00000 0.00000 -0.00175 0.00505 0.00000
|
|
114 8D-2 0.00000 0.00000 0.00231 -0.00560 0.00000
|
|
115 9D 0 0.00000 0.00000 -0.12354 -0.15745 0.00000
|
|
116 9D+1 0.16908 0.00100 0.00000 0.00000 -0.15946
|
|
117 9D-1 -0.02955 -0.02286 0.00000 0.00000 0.08259
|
|
118 9D+2 0.00000 0.00000 0.18074 0.25557 0.00000
|
|
119 9D-2 0.00000 0.00000 -0.09998 0.10359 0.00000
|
|
120 4 H 1S 0.00000 0.00000 -0.03753 -0.00808 0.00000
|
|
121 2S 0.00000 0.00000 -0.35573 -0.08910 0.00000
|
|
122 3S 0.00000 0.00000 2.25743 -2.06977 0.00000
|
|
123 4S 0.00000 0.00000 3.69631 -1.02626 0.00000
|
|
124 5PX 0.00000 0.00000 0.00354 -0.00239 0.00000
|
|
125 5PY 0.00000 0.00000 0.00634 -0.01406 0.00000
|
|
126 5PZ 0.00982 -0.00263 0.00000 0.00000 0.00471
|
|
127 6PX 0.00000 0.00000 -0.15869 0.06373 0.00000
|
|
128 6PY 0.00000 0.00000 -0.03072 0.25179 0.00000
|
|
129 6PZ -0.21657 0.01923 0.00000 0.00000 -0.13988
|
|
130 7PX 0.00000 0.00000 0.59321 0.76241 0.00000
|
|
131 7PY 0.00000 0.00000 -0.02642 3.65437 0.00000
|
|
132 7PZ -2.66434 -0.45897 0.00000 0.00000 -1.98104
|
|
133 8D 0 0.00000 0.00000 0.00629 -0.00103 0.00000
|
|
134 8D+1 0.01089 -0.00291 0.00000 0.00000 -0.00231
|
|
135 8D-1 0.00271 -0.00496 0.00000 0.00000 -0.00334
|
|
136 8D+2 0.00000 0.00000 -0.00274 -0.00690 0.00000
|
|
137 8D-2 0.00000 0.00000 0.00523 0.00123 0.00000
|
|
138 9D 0 0.00000 0.00000 -0.02788 0.00672 0.00000
|
|
139 9D+1 -0.36336 0.02582 0.00000 0.00000 -0.18490
|
|
140 9D-1 0.03922 -0.02325 0.00000 0.00000 0.10838
|
|
141 9D+2 0.00000 0.00000 -0.08099 0.27706 0.00000
|
|
142 9D-2 0.00000 0.00000 -0.03993 0.31950 0.00000
|
|
143 5 H 1S 0.03321 0.04029 -0.00249 -0.00348 0.01098
|
|
144 2S -0.19701 -0.15449 -0.67294 -0.16464 0.39598
|
|
145 3S -1.12198 -1.04976 -6.32595 -1.18559 6.32586
|
|
146 4S -2.53916 -2.76253 -2.12112 -0.13304 0.82657
|
|
147 5PX 0.00648 -0.00666 0.00478 -0.00249 0.00046
|
|
148 5PY -0.00204 -0.00406 -0.00095 0.00568 0.00611
|
|
149 5PZ 0.00158 0.00783 -0.00917 -0.00270 -0.00674
|
|
150 6PX -0.11617 0.15898 -0.02199 0.08890 -0.08202
|
|
151 6PY -0.02229 0.00457 0.10412 -0.08129 -0.14784
|
|
152 6PZ -0.02151 -0.18907 0.23024 0.07588 -0.01725
|
|
153 7PX -1.35260 1.51537 -1.46090 0.33051 -0.78954
|
|
154 7PY -0.26971 -0.01267 0.34322 -1.32388 -1.67936
|
|
155 7PZ -0.84790 -2.35265 0.71394 0.05660 -0.49541
|
|
156 8D 0 0.00193 -0.00749 -0.00784 -0.00376 0.00972
|
|
157 8D+1 -0.00256 0.00293 -0.01185 -0.00127 -0.00121
|
|
158 8D-1 -0.00057 0.00266 -0.00778 -0.00374 0.00134
|
|
159 8D+2 -0.00383 0.00180 -0.00260 0.00409 0.00186
|
|
160 8D-2 0.00178 -0.00034 -0.00602 0.00061 0.00422
|
|
161 9D 0 0.00915 0.36831 -0.04443 0.00454 -0.20484
|
|
162 9D+1 0.20555 -0.05250 0.18686 -0.04862 0.02977
|
|
163 9D-1 0.07994 0.12667 0.01239 0.14667 0.10820
|
|
164 9D+2 0.10053 -0.10579 0.09052 -0.12136 -0.09438
|
|
165 9D-2 0.11642 -0.05089 0.04243 -0.00278 0.07135
|
|
166 6 H 1S -0.03321 -0.04029 -0.00249 -0.00348 -0.01098
|
|
167 2S 0.19701 0.15449 -0.67294 -0.16464 -0.39598
|
|
168 3S 1.12198 1.04976 -6.32595 -1.18559 -6.32586
|
|
169 4S 2.53916 2.76253 -2.12112 -0.13304 -0.82657
|
|
170 5PX -0.00648 0.00666 0.00478 -0.00249 -0.00046
|
|
171 5PY 0.00204 0.00406 -0.00095 0.00568 -0.00611
|
|
172 5PZ 0.00158 0.00783 0.00917 0.00270 -0.00674
|
|
173 6PX 0.11617 -0.15898 -0.02199 0.08890 0.08202
|
|
174 6PY 0.02229 -0.00457 0.10412 -0.08129 0.14784
|
|
175 6PZ -0.02151 -0.18907 -0.23024 -0.07588 -0.01725
|
|
176 7PX 1.35260 -1.51537 -1.46090 0.33051 0.78954
|
|
177 7PY 0.26971 0.01267 0.34322 -1.32388 1.67936
|
|
178 7PZ -0.84790 -2.35265 -0.71394 -0.05660 -0.49541
|
|
179 8D 0 -0.00193 0.00749 -0.00784 -0.00376 -0.00972
|
|
180 8D+1 -0.00256 0.00293 0.01185 0.00127 -0.00121
|
|
181 8D-1 -0.00057 0.00266 0.00778 0.00374 0.00134
|
|
182 8D+2 0.00383 -0.00180 -0.00260 0.00409 -0.00186
|
|
183 8D-2 -0.00178 0.00034 -0.00602 0.00061 -0.00422
|
|
184 9D 0 -0.00915 -0.36831 -0.04443 0.00454 0.20484
|
|
185 9D+1 0.20555 -0.05250 -0.18686 0.04862 0.02977
|
|
186 9D-1 0.07994 0.12667 -0.01239 -0.14667 0.10820
|
|
187 9D+2 -0.10053 0.10579 0.09052 -0.12136 0.09438
|
|
188 9D-2 -0.11642 0.05089 0.04243 -0.00278 -0.07135
|
|
41 42 43 44 45
|
|
V V V V V
|
|
Eigenvalues -- 0.39097 0.40617 0.40619 0.41753 0.42910
|
|
1 1 C 1S -0.06085 0.00000 0.02425 0.02151 0.03007
|
|
2 2S 0.18024 0.00000 -0.03854 -0.13973 -0.07017
|
|
3 3S -0.05053 0.00000 0.01363 -0.00499 0.02439
|
|
4 4S 16.02228 0.00000 -2.94865 -11.66374 -7.47735
|
|
5 5S 11.04327 0.00000 -0.27005 -0.91112 -2.07484
|
|
6 6PX -0.00605 0.00000 0.02836 0.07236 -0.01836
|
|
7 6PY 0.03509 0.00000 0.06586 -0.06572 0.13484
|
|
8 6PZ 0.00000 -0.05999 0.00000 0.00000 0.00000
|
|
9 7PX 0.04024 0.00000 0.39471 0.56600 -0.10356
|
|
10 7PY 0.40327 0.00000 -0.06320 -0.27901 0.34979
|
|
11 7PZ 0.00000 -0.13828 0.00000 0.00000 0.00000
|
|
12 8PX -1.25930 0.00000 2.18808 4.20066 -1.12953
|
|
13 8PY 0.38888 0.00000 2.62677 -4.49826 7.99509
|
|
14 8PZ 0.00000 -1.71508 0.00000 0.00000 0.00000
|
|
15 9PX -0.79164 0.00000 0.38564 0.96105 -0.46942
|
|
16 9PY -0.28910 0.00000 0.60684 -1.02423 2.43851
|
|
17 9PZ 0.00000 -1.56004 0.00000 0.00000 0.00000
|
|
18 10D 0 0.00932 0.00000 -0.01159 0.00834 -0.00666
|
|
19 10D+1 0.00000 0.00009 0.00000 0.00000 0.00000
|
|
20 10D-1 0.00000 -0.00220 0.00000 0.00000 0.00000
|
|
21 10D+2 0.01825 0.00000 -0.01075 0.01239 -0.01235
|
|
22 10D-2 -0.00177 0.00000 -0.00894 -0.00112 -0.00249
|
|
23 11D 0 -0.01991 0.00000 0.32369 -0.05755 -0.05893
|
|
24 11D+1 0.00000 0.23555 0.00000 0.00000 0.00000
|
|
25 11D-1 0.00000 0.26962 0.00000 0.00000 0.00000
|
|
26 11D+2 -0.13578 0.00000 -0.02922 -0.46929 0.00684
|
|
27 11D-2 0.01403 0.00000 0.17036 0.06218 -0.06245
|
|
28 12D 0 -1.47038 0.00000 1.92064 -1.76600 -0.41246
|
|
29 12D+1 0.00000 1.46683 0.00000 0.00000 0.00000
|
|
30 12D-1 0.00000 1.07100 0.00000 0.00000 0.00000
|
|
31 12D+2 -2.14621 0.00000 2.67376 -1.86939 0.35575
|
|
32 12D-2 -0.41905 0.00000 0.81458 -2.04629 -2.61430
|
|
33 13F 0 0.00000 0.00289 0.00000 0.00000 0.00000
|
|
34 13F+1 0.02790 0.00000 0.00789 -0.01869 -0.00803
|
|
35 13F-1 0.02002 0.00000 0.00861 -0.00371 -0.01010
|
|
36 13F+2 0.00000 0.00825 0.00000 0.00000 0.00000
|
|
37 13F-2 0.00000 0.00161 0.00000 0.00000 0.00000
|
|
38 13F+3 -0.00932 0.00000 0.00402 0.01804 0.01228
|
|
39 13F-3 0.01964 0.00000 -0.00517 -0.01146 -0.00070
|
|
40 14F 0 0.00000 0.01656 0.00000 0.00000 0.00000
|
|
41 14F+1 0.13872 0.00000 -0.11104 -0.16029 -0.08741
|
|
42 14F-1 0.15509 0.00000 -0.05273 0.01694 0.00929
|
|
43 14F+2 0.00000 -0.24561 0.00000 0.00000 0.00000
|
|
44 14F-2 0.00000 0.18476 0.00000 0.00000 0.00000
|
|
45 14F+3 -0.08018 0.00000 0.05502 0.01425 -0.07193
|
|
46 14F-3 0.16119 0.00000 -0.08870 -0.07011 -0.08124
|
|
47 2 S 1S 0.01042 0.00000 0.01101 -0.00135 0.00907
|
|
48 2S -0.02685 0.00000 -0.09475 0.01299 -0.11606
|
|
49 3S 0.12526 0.00000 -0.01592 0.00573 -0.08743
|
|
50 4S 0.04398 0.00000 -0.05358 0.01321 -0.02682
|
|
51 5S 0.90678 0.00000 6.71177 -1.00024 1.69767
|
|
52 6S -3.45813 0.00000 3.51873 -2.72033 5.33327
|
|
53 7PX -0.02223 0.00000 -0.03517 -0.02066 0.01999
|
|
54 7PY 0.01819 0.00000 -0.01923 0.05960 -0.09451
|
|
55 7PZ 0.00000 -0.00538 0.00000 0.00000 0.00000
|
|
56 8PX 0.14385 0.00000 0.34800 -0.02032 0.13062
|
|
57 8PY -0.23303 0.00000 0.38449 -0.05716 0.14921
|
|
58 8PZ 0.00000 0.05604 0.00000 0.00000 0.00000
|
|
59 9PX 0.01734 0.00000 0.02241 0.02101 -0.03187
|
|
60 9PY 0.01121 0.00000 -0.01119 -0.06206 0.08745
|
|
61 9PZ 0.00000 0.00324 0.00000 0.00000 0.00000
|
|
62 10PX 4.16326 0.00000 1.89409 1.85536 -4.19550
|
|
63 10PY -4.77116 0.00000 4.64417 -4.54840 7.49439
|
|
64 10PZ 0.00000 1.42841 0.00000 0.00000 0.00000
|
|
65 11PX 0.45108 0.00000 0.44130 0.18266 -1.51100
|
|
66 11PY -1.77424 0.00000 0.55149 -1.01513 2.37753
|
|
67 11PZ 0.00000 0.11762 0.00000 0.00000 0.00000
|
|
68 12D 0 0.10024 0.00000 -0.09445 0.02929 -0.00735
|
|
69 12D+1 0.00000 0.16966 0.00000 0.00000 0.00000
|
|
70 12D-1 0.00000 -0.04085 0.00000 0.00000 0.00000
|
|
71 12D+2 0.48230 0.00000 0.00080 0.18280 -0.26857
|
|
72 12D-2 0.04895 0.00000 0.20664 0.06083 -0.02900
|
|
73 13D 0 -0.00817 0.00000 0.00130 -0.00019 0.01710
|
|
74 13D+1 0.00000 0.02546 0.00000 0.00000 0.00000
|
|
75 13D-1 0.00000 -0.06273 0.00000 0.00000 0.00000
|
|
76 13D+2 -0.03687 0.00000 0.02955 -0.03167 0.03734
|
|
77 13D-2 0.00160 0.00000 0.04255 0.01034 0.00851
|
|
78 14D 0 0.20427 0.00000 -0.27064 0.24527 -1.18983
|
|
79 14D+1 0.00000 0.88586 0.00000 0.00000 0.00000
|
|
80 14D-1 0.00000 -0.84970 0.00000 0.00000 0.00000
|
|
81 14D+2 2.56403 0.00000 -0.06318 2.09070 -3.92330
|
|
82 14D-2 -0.07984 0.00000 2.33997 -1.12797 -0.64310
|
|
83 15F 0 0.00000 0.00138 0.00000 0.00000 0.00000
|
|
84 15F+1 -0.00259 0.00000 -0.01488 0.00376 -0.00416
|
|
85 15F-1 0.00432 0.00000 -0.00400 -0.00047 0.02504
|
|
86 15F+2 0.00000 -0.01587 0.00000 0.00000 0.00000
|
|
87 15F-2 0.00000 0.02144 0.00000 0.00000 0.00000
|
|
88 15F+3 -0.00519 0.00000 0.02535 -0.03532 0.00218
|
|
89 15F-3 -0.00837 0.00000 -0.03186 0.01915 0.03209
|
|
90 16F 0 0.00000 -0.05772 0.00000 0.00000 0.00000
|
|
91 16F+1 -0.09613 0.00000 -0.00533 -0.05706 0.08468
|
|
92 16F-1 0.12281 0.00000 -0.06851 0.09049 -0.20178
|
|
93 16F+2 0.00000 0.21908 0.00000 0.00000 0.00000
|
|
94 16F-2 0.00000 -0.08584 0.00000 0.00000 0.00000
|
|
95 16F+3 0.18951 0.00000 -0.08230 0.26636 -0.03068
|
|
96 16F-3 0.22444 0.00000 0.28614 0.08271 -0.27625
|
|
97 3 H 1S -0.01914 0.00000 -0.01763 -0.04246 -0.03832
|
|
98 2S -0.51748 0.00000 -0.05755 -0.41041 0.17479
|
|
99 3S -8.66483 0.00000 -2.76250 -6.41030 5.62146
|
|
100 4S -1.09604 0.00000 -0.52128 -0.91497 1.96485
|
|
101 5PX -0.00877 0.00000 -0.01296 -0.00242 0.00048
|
|
102 5PY -0.00041 0.00000 0.01480 0.00073 0.00198
|
|
103 5PZ 0.00000 0.00583 0.00000 0.00000 0.00000
|
|
104 6PX 0.18476 0.00000 0.15647 0.04322 -0.02988
|
|
105 6PY -0.07040 0.00000 -0.15551 -0.04133 0.07562
|
|
106 6PZ 0.00000 -0.08176 0.00000 0.00000 0.00000
|
|
107 7PX 2.83684 0.00000 0.89433 1.56275 -1.36770
|
|
108 7PY -1.29340 0.00000 -3.18729 -1.09543 -0.44406
|
|
109 7PZ 0.00000 -2.18319 0.00000 0.00000 0.00000
|
|
110 8D 0 0.00045 0.00000 0.00457 -0.00446 -0.00586
|
|
111 8D+1 0.00000 -0.01168 0.00000 0.00000 0.00000
|
|
112 8D-1 0.00000 0.00224 0.00000 0.00000 0.00000
|
|
113 8D+2 -0.00360 0.00000 -0.00852 -0.00313 -0.00843
|
|
114 8D-2 -0.00443 0.00000 -0.00921 -0.00133 -0.00440
|
|
115 9D 0 0.03000 0.00000 0.10599 -0.01054 0.11090
|
|
116 9D+1 0.00000 0.27594 0.00000 0.00000 0.00000
|
|
117 9D-1 0.00000 -0.04045 0.00000 0.00000 0.00000
|
|
118 9D+2 -0.05438 0.00000 -0.05677 0.12446 0.02918
|
|
119 9D-2 0.17349 0.00000 0.37348 0.12727 0.01772
|
|
120 4 H 1S 0.02904 0.00000 0.04182 0.01739 -0.00830
|
|
121 2S -0.94821 0.00000 0.79662 1.39150 0.15141
|
|
122 3S -4.26060 0.00000 5.89162 12.50868 -5.48976
|
|
123 4S -1.50525 0.00000 0.85196 1.96899 -1.46803
|
|
124 5PX 0.00792 0.00000 -0.00817 -0.01559 0.00525
|
|
125 5PY 0.00125 0.00000 0.00913 0.00119 0.01102
|
|
126 5PZ 0.00000 -0.01402 0.00000 0.00000 0.00000
|
|
127 6PX -0.30360 0.00000 0.37655 0.59334 0.02521
|
|
128 6PY 0.03735 0.00000 -0.09123 -0.18813 -0.05619
|
|
129 6PZ 0.00000 0.25449 0.00000 0.00000 0.00000
|
|
130 7PX -1.24963 0.00000 3.06214 4.72388 -0.90517
|
|
131 7PY -0.91013 0.00000 0.30260 -3.07513 -2.00014
|
|
132 7PZ 0.00000 3.16845 0.00000 0.00000 0.00000
|
|
133 8D 0 0.00292 0.00000 -0.00269 -0.01441 -0.00537
|
|
134 8D+1 0.00000 -0.00408 0.00000 0.00000 0.00000
|
|
135 8D-1 0.00000 0.00076 0.00000 0.00000 0.00000
|
|
136 8D+2 -0.01563 0.00000 0.01551 0.01215 -0.00230
|
|
137 8D-2 0.00667 0.00000 -0.00484 -0.01200 0.00426
|
|
138 9D 0 0.06273 0.00000 -0.21708 -0.09033 0.03317
|
|
139 9D+1 0.00000 0.35699 0.00000 0.00000 0.00000
|
|
140 9D-1 0.00000 -0.13554 0.00000 0.00000 0.00000
|
|
141 9D+2 -0.00836 0.00000 0.09404 0.23328 0.02155
|
|
142 9D-2 -0.08638 0.00000 -0.00606 -0.18828 -0.12018
|
|
143 5 H 1S 0.00629 0.01886 -0.00816 -0.02243 -0.01383
|
|
144 2S -1.00301 -0.30693 -0.15027 0.45599 0.34130
|
|
145 3S -3.48178 -0.38793 -5.03028 3.64172 0.17704
|
|
146 4S -0.20410 1.69344 -0.53162 0.06603 -0.48188
|
|
147 5PX -0.00688 0.00217 0.00396 0.00536 -0.00607
|
|
148 5PY 0.00089 0.01121 0.00358 -0.00675 0.00899
|
|
149 5PZ -0.00773 0.00392 0.00030 -0.00036 -0.00492
|
|
150 6PX 0.22419 0.08391 0.05499 -0.03222 0.00652
|
|
151 6PY 0.06934 -0.14514 0.03745 -0.07106 -0.13085
|
|
152 6PZ 0.33259 0.09771 0.05402 -0.07898 -0.05840
|
|
153 7PX 1.52778 0.19594 0.66127 -0.13000 0.48427
|
|
154 7PY -1.46683 -2.10348 1.08881 -1.15543 -0.79804
|
|
155 7PZ 1.60409 0.33380 0.30189 -0.27830 0.05405
|
|
156 8D 0 -0.01015 -0.00002 0.00095 -0.00068 0.00195
|
|
157 8D+1 -0.00790 0.00089 -0.00497 0.00102 0.00610
|
|
158 8D-1 -0.01045 -0.00121 -0.00301 0.00568 -0.00009
|
|
159 8D+2 -0.00285 0.00574 0.00787 0.00174 0.00023
|
|
160 8D-2 -0.00666 -0.00326 -0.00250 -0.00568 -0.00464
|
|
161 9D 0 -0.09951 -0.08316 0.00987 -0.03993 -0.00677
|
|
162 9D+1 -0.19039 -0.08512 0.03692 -0.06787 -0.08102
|
|
163 9D-1 0.08581 0.22002 -0.02796 0.01551 0.09426
|
|
164 9D+2 -0.08732 -0.14479 -0.12210 -0.04320 -0.03107
|
|
165 9D-2 0.03479 0.11895 -0.07641 0.12549 0.13153
|
|
166 6 H 1S 0.00629 -0.01886 -0.00816 -0.02243 -0.01383
|
|
167 2S -1.00301 0.30693 -0.15027 0.45599 0.34130
|
|
168 3S -3.48178 0.38793 -5.03028 3.64172 0.17704
|
|
169 4S -0.20410 -1.69344 -0.53162 0.06603 -0.48188
|
|
170 5PX -0.00688 -0.00217 0.00396 0.00536 -0.00607
|
|
171 5PY 0.00089 -0.01121 0.00358 -0.00675 0.00899
|
|
172 5PZ 0.00773 0.00392 -0.00030 0.00036 0.00492
|
|
173 6PX 0.22419 -0.08391 0.05499 -0.03222 0.00652
|
|
174 6PY 0.06934 0.14514 0.03745 -0.07106 -0.13085
|
|
175 6PZ -0.33259 0.09771 -0.05402 0.07898 0.05840
|
|
176 7PX 1.52778 -0.19594 0.66127 -0.13000 0.48427
|
|
177 7PY -1.46683 2.10348 1.08881 -1.15543 -0.79804
|
|
178 7PZ -1.60409 0.33380 -0.30189 0.27830 -0.05405
|
|
179 8D 0 -0.01015 0.00002 0.00095 -0.00068 0.00195
|
|
180 8D+1 0.00790 0.00089 0.00497 -0.00102 -0.00610
|
|
181 8D-1 0.01045 -0.00121 0.00301 -0.00568 0.00009
|
|
182 8D+2 -0.00285 -0.00574 0.00787 0.00174 0.00023
|
|
183 8D-2 -0.00666 0.00326 -0.00250 -0.00568 -0.00464
|
|
184 9D 0 -0.09951 0.08316 0.00987 -0.03993 -0.00677
|
|
185 9D+1 0.19039 -0.08512 -0.03692 0.06787 0.08102
|
|
186 9D-1 -0.08581 0.22002 0.02796 -0.01551 -0.09426
|
|
187 9D+2 -0.08732 0.14479 -0.12210 -0.04320 -0.03107
|
|
188 9D-2 0.03479 -0.11895 -0.07641 0.12549 0.13153
|
|
46 47 48 49 50
|
|
V V V V V
|
|
Eigenvalues -- 0.43893 0.43943 0.45234 0.46230 0.48066
|
|
1 1 C 1S -0.02260 0.00000 0.01035 0.00000 -0.00281
|
|
2 2S 0.11897 0.00000 -0.02048 0.00000 0.02221
|
|
3 3S -0.00787 0.00000 -0.03738 0.00000 0.01019
|
|
4 4S 11.51763 0.00000 5.77360 0.00000 1.29373
|
|
5 5S 0.57368 0.00000 -7.67030 0.00000 -1.45783
|
|
6 6PX 0.07699 0.00000 -0.01213 0.00000 0.07161
|
|
7 6PY 0.03906 0.00000 0.00600 0.00000 0.00556
|
|
8 6PZ 0.00000 -0.12557 0.00000 -0.01123 0.00000
|
|
9 7PX 0.32611 0.00000 -0.04544 0.00000 1.08882
|
|
10 7PY 0.25477 0.00000 -0.00133 0.00000 0.20105
|
|
11 7PZ 0.00000 -1.07198 0.00000 -0.76636 0.00000
|
|
12 8PX 2.82866 0.00000 0.69072 0.00000 14.52203
|
|
13 8PY 2.41828 0.00000 -0.65237 0.00000 2.04207
|
|
14 8PZ 0.00000 -10.20391 0.00000 -10.65569 0.00000
|
|
15 9PX 1.19397 0.00000 -0.49905 0.00000 -0.70852
|
|
16 9PY 0.96548 0.00000 1.78701 0.00000 0.28805
|
|
17 9PZ 0.00000 -1.23075 0.00000 0.04305 0.00000
|
|
18 10D 0 -0.00349 0.00000 -0.00071 0.00000 0.00061
|
|
19 10D+1 0.00000 0.00211 0.00000 0.00116 0.00000
|
|
20 10D-1 0.00000 -0.00443 0.00000 -0.00157 0.00000
|
|
21 10D+2 -0.00489 0.00000 -0.01875 0.00000 0.00257
|
|
22 10D-2 0.00277 0.00000 0.00872 0.00000 0.00969
|
|
23 11D 0 0.13996 0.00000 0.07294 0.00000 0.92190
|
|
24 11D+1 0.00000 -0.51157 0.00000 -0.92383 0.00000
|
|
25 11D-1 0.00000 -0.38666 0.00000 -0.74510 0.00000
|
|
26 11D+2 0.39490 0.00000 0.31738 0.00000 -0.63418
|
|
27 11D-2 -0.04684 0.00000 0.12366 0.00000 0.62885
|
|
28 12D 0 -0.41557 0.00000 0.93186 0.00000 4.74423
|
|
29 12D+1 0.00000 -0.54450 0.00000 -5.82711 0.00000
|
|
30 12D-1 0.00000 0.93964 0.00000 -5.70520 0.00000
|
|
31 12D+2 3.15352 0.00000 1.84462 0.00000 -4.20660
|
|
32 12D-2 -2.49622 0.00000 0.03467 0.00000 3.38374
|
|
33 13F 0 0.00000 -0.00909 0.00000 -0.00301 0.00000
|
|
34 13F+1 0.02209 0.00000 0.00931 0.00000 -0.00250
|
|
35 13F-1 0.00434 0.00000 0.00901 0.00000 0.02515
|
|
36 13F+2 0.00000 -0.00995 0.00000 0.00376 0.00000
|
|
37 13F-2 0.00000 -0.01780 0.00000 -0.03546 0.00000
|
|
38 13F+3 -0.00141 0.00000 0.00152 0.00000 0.01130
|
|
39 13F-3 0.00922 0.00000 0.00806 0.00000 -0.01817
|
|
40 14F 0 0.00000 -0.00177 0.00000 0.03183 0.00000
|
|
41 14F+1 0.17496 0.00000 0.14311 0.00000 -0.00111
|
|
42 14F-1 0.05279 0.00000 0.02068 0.00000 0.34645
|
|
43 14F+2 0.00000 0.10264 0.00000 -0.03447 0.00000
|
|
44 14F-2 0.00000 -0.20325 0.00000 -0.30543 0.00000
|
|
45 14F+3 -0.06458 0.00000 -0.21026 0.00000 0.05949
|
|
46 14F-3 0.03575 0.00000 -0.10197 0.00000 -0.20462
|
|
47 2 S 1S -0.00370 0.00000 0.01190 0.00000 -0.00314
|
|
48 2S 0.03824 0.00000 -0.10548 0.00000 0.04737
|
|
49 3S 0.01516 0.00000 -0.02293 0.00000 0.04409
|
|
50 4S 0.00798 0.00000 -0.06702 0.00000 0.01505
|
|
51 5S -2.25616 0.00000 6.89251 0.00000 -1.18031
|
|
52 6S -0.70363 0.00000 12.79642 0.00000 -0.75019
|
|
53 7PX 0.05217 0.00000 -0.02879 0.00000 0.00520
|
|
54 7PY -0.02363 0.00000 0.00001 0.00000 -0.01820
|
|
55 7PZ 0.00000 -0.00363 0.00000 0.06091 0.00000
|
|
56 8PX -0.25036 0.00000 0.40118 0.00000 0.23709
|
|
57 8PY 0.03457 0.00000 0.16795 0.00000 -0.17711
|
|
58 8PZ 0.00000 -0.03451 0.00000 -0.11628 0.00000
|
|
59 9PX -0.04969 0.00000 0.01188 0.00000 -0.01191
|
|
60 9PY 0.02491 0.00000 -0.00924 0.00000 0.02753
|
|
61 9PZ 0.00000 0.00595 0.00000 -0.06446 0.00000
|
|
62 10PX -5.85442 0.00000 4.12112 0.00000 -0.79612
|
|
63 10PY 3.12163 0.00000 -1.57903 0.00000 0.32349
|
|
64 10PZ 0.00000 0.92338 0.00000 -1.61892 0.00000
|
|
65 11PX -1.35071 0.00000 0.32833 0.00000 -0.11047
|
|
66 11PY 0.91277 0.00000 1.25311 0.00000 0.21242
|
|
67 11PZ 0.00000 -0.03719 0.00000 -0.46290 0.00000
|
|
68 12D 0 0.00932 0.00000 -0.12571 0.00000 -0.01538
|
|
69 12D+1 0.00000 0.01477 0.00000 0.06388 0.00000
|
|
70 12D-1 0.00000 0.02779 0.00000 0.00237 0.00000
|
|
71 12D+2 -0.24028 0.00000 0.14429 0.00000 0.02207
|
|
72 12D-2 0.01695 0.00000 -0.28481 0.00000 -0.10054
|
|
73 13D 0 0.03744 0.00000 -0.04811 0.00000 0.00398
|
|
74 13D+1 0.00000 -0.02774 0.00000 0.04866 0.00000
|
|
75 13D-1 0.00000 -0.02193 0.00000 -0.00294 0.00000
|
|
76 13D+2 0.01404 0.00000 -0.00015 0.00000 0.01546
|
|
77 13D-2 0.02037 0.00000 -0.07549 0.00000 -0.00655
|
|
78 14D 0 1.14570 0.00000 -0.99661 0.00000 -0.13343
|
|
79 14D+1 0.00000 -0.93166 0.00000 2.07609 0.00000
|
|
80 14D-1 0.00000 1.14595 0.00000 -1.78853 0.00000
|
|
81 14D+2 -1.66777 0.00000 1.55770 0.00000 -1.93306
|
|
82 14D-2 -0.98285 0.00000 -3.30709 0.00000 -0.09924
|
|
83 15F 0 0.00000 0.01803 0.00000 0.00929 0.00000
|
|
84 15F+1 0.00065 0.00000 -0.02287 0.00000 -0.01919
|
|
85 15F-1 -0.03329 0.00000 -0.01650 0.00000 0.01994
|
|
86 15F+2 0.00000 0.03179 0.00000 -0.01004 0.00000
|
|
87 15F-2 0.00000 0.01115 0.00000 -0.02554 0.00000
|
|
88 15F+3 -0.02788 0.00000 -0.00729 0.00000 0.00529
|
|
89 15F-3 0.00468 0.00000 -0.02062 0.00000 0.01941
|
|
90 16F 0 0.00000 -0.07325 0.00000 -0.02622 0.00000
|
|
91 16F+1 0.10230 0.00000 -0.02077 0.00000 0.09472
|
|
92 16F-1 0.07881 0.00000 0.11079 0.00000 -0.09183
|
|
93 16F+2 0.00000 -0.18451 0.00000 0.21355 0.00000
|
|
94 16F-2 0.00000 -0.04745 0.00000 0.09349 0.00000
|
|
95 16F+3 0.01912 0.00000 0.29759 0.00000 -0.12397
|
|
96 16F-3 -0.09568 0.00000 -0.18275 0.00000 -0.17636
|
|
97 3 H 1S -0.01166 0.00000 0.00979 0.00000 0.02744
|
|
98 2S 0.32652 0.00000 -0.45119 0.00000 0.25781
|
|
99 3S 9.31329 0.00000 -11.77805 0.00000 4.43760
|
|
100 4S 1.85924 0.00000 -0.41803 0.00000 0.59297
|
|
101 5PX 0.01762 0.00000 -0.02776 0.00000 -0.00468
|
|
102 5PY -0.00279 0.00000 -0.01242 0.00000 -0.00290
|
|
103 5PZ 0.00000 -0.00444 0.00000 0.01056 0.00000
|
|
104 6PX -0.21603 0.00000 0.34265 0.00000 0.06105
|
|
105 6PY 0.08690 0.00000 0.06922 0.00000 0.04276
|
|
106 6PZ 0.00000 0.03478 0.00000 -0.08102 0.00000
|
|
107 7PX -3.08291 0.00000 3.70407 0.00000 0.44309
|
|
108 7PY 0.59997 0.00000 2.35260 0.00000 2.29140
|
|
109 7PZ 0.00000 0.61769 0.00000 -1.77514 0.00000
|
|
110 8D 0 -0.00406 0.00000 0.00335 0.00000 0.00342
|
|
111 8D+1 0.00000 0.00420 0.00000 -0.00944 0.00000
|
|
112 8D-1 0.00000 0.00090 0.00000 -0.00139 0.00000
|
|
113 8D+2 0.00040 0.00000 -0.00557 0.00000 0.00592
|
|
114 8D-2 -0.00306 0.00000 0.00974 0.00000 0.00403
|
|
115 9D 0 -0.04510 0.00000 0.04258 0.00000 0.05969
|
|
116 9D+1 0.00000 -0.05192 0.00000 0.19407 0.00000
|
|
117 9D-1 0.00000 0.00212 0.00000 -0.02482 0.00000
|
|
118 9D+2 0.13792 0.00000 -0.24659 0.00000 -0.23318
|
|
119 9D-2 -0.06714 0.00000 -0.20001 0.00000 -0.08075
|
|
120 4 H 1S 0.03859 0.00000 -0.02633 0.00000 -0.01385
|
|
121 2S -0.74227 0.00000 -0.61251 0.00000 2.49635
|
|
122 3S -4.20770 0.00000 -1.51831 0.00000 36.06191
|
|
123 4S 0.90181 0.00000 -0.60245 0.00000 0.41880
|
|
124 5PX -0.00898 0.00000 -0.01119 0.00000 -0.00224
|
|
125 5PY 0.00717 0.00000 -0.00998 0.00000 -0.00432
|
|
126 5PZ 0.00000 -0.01154 0.00000 -0.00416 0.00000
|
|
127 6PX -0.12963 0.00000 -0.02351 0.00000 0.92089
|
|
128 6PY 0.05869 0.00000 0.26133 0.00000 -0.14784
|
|
129 6PZ 0.00000 -0.07245 0.00000 -0.10170 0.00000
|
|
130 7PX -0.08829 0.00000 0.53902 0.00000 9.52462
|
|
131 7PY -0.50421 0.00000 3.10375 0.00000 -1.28826
|
|
132 7PZ 0.00000 -1.09816 0.00000 -2.98813 0.00000
|
|
133 8D 0 0.00210 0.00000 0.00172 0.00000 -0.02385
|
|
134 8D+1 0.00000 0.00008 0.00000 -0.00991 0.00000
|
|
135 8D-1 0.00000 0.01040 0.00000 -0.00704 0.00000
|
|
136 8D+2 -0.00195 0.00000 -0.00266 0.00000 0.02440
|
|
137 8D-2 0.00369 0.00000 0.00149 0.00000 -0.01611
|
|
138 9D 0 -0.05828 0.00000 -0.00033 0.00000 -0.08696
|
|
139 9D+1 0.00000 -0.11266 0.00000 -0.10724 0.00000
|
|
140 9D-1 0.00000 -0.08430 0.00000 0.22071 0.00000
|
|
141 9D+2 0.05710 0.00000 0.20743 0.00000 0.26405
|
|
142 9D-2 -0.03032 0.00000 0.31623 0.00000 0.02050
|
|
143 5 H 1S -0.00535 0.02699 0.03305 -0.02464 0.00499
|
|
144 2S -0.81572 1.31537 -0.42600 1.95416 -1.33420
|
|
145 3S -5.71994 16.63219 -1.13370 25.72577 -18.77495
|
|
146 4S -1.49425 2.05188 0.15193 0.76164 -0.33243
|
|
147 5PX 0.00158 0.01398 0.00143 -0.00295 0.00219
|
|
148 5PY -0.00554 0.00640 0.00570 -0.00729 0.00232
|
|
149 5PZ -0.01187 0.00908 0.00261 -0.00436 -0.00865
|
|
150 6PX 0.08936 -0.30508 0.02651 -0.20208 0.37703
|
|
151 6PY 0.20260 -0.17747 0.06576 -0.12775 0.11404
|
|
152 6PZ 0.27113 -0.54498 0.09469 -0.63582 0.38878
|
|
153 7PX -0.14572 -2.77998 0.39955 -0.95918 5.94734
|
|
154 7PY 3.07232 -2.47817 0.87626 0.01043 1.26789
|
|
155 7PZ 2.25803 -5.20173 0.49814 -6.82614 3.36940
|
|
156 8D 0 -0.00565 0.01300 -0.00029 0.01699 -0.00625
|
|
157 8D+1 -0.00745 0.01687 -0.00085 0.01661 -0.01514
|
|
158 8D-1 -0.00156 0.01473 -0.00139 0.01156 -0.00950
|
|
159 8D+2 0.00319 -0.00273 0.01050 -0.00016 -0.00723
|
|
160 8D-2 -0.00885 0.00254 -0.00212 0.00855 -0.00250
|
|
161 9D 0 -0.05931 0.18351 -0.03603 0.23700 0.00737
|
|
162 9D+1 0.01392 0.21330 -0.00978 0.03582 -0.26971
|
|
163 9D-1 -0.28888 0.08373 -0.02555 0.00600 0.04376
|
|
164 9D+2 0.03372 0.06182 -0.06730 0.00266 -0.05562
|
|
165 9D-2 0.03419 0.11766 0.00460 -0.17450 -0.15725
|
|
166 6 H 1S -0.00535 -0.02699 0.03305 0.02464 0.00499
|
|
167 2S -0.81572 -1.31537 -0.42600 -1.95416 -1.33420
|
|
168 3S -5.71994 -16.63219 -1.13370 -25.72577 -18.77495
|
|
169 4S -1.49425 -2.05188 0.15193 -0.76164 -0.33243
|
|
170 5PX 0.00158 -0.01398 0.00143 0.00295 0.00219
|
|
171 5PY -0.00554 -0.00640 0.00570 0.00729 0.00232
|
|
172 5PZ 0.01187 0.00908 -0.00261 -0.00436 0.00865
|
|
173 6PX 0.08936 0.30508 0.02651 0.20208 0.37703
|
|
174 6PY 0.20260 0.17747 0.06576 0.12775 0.11404
|
|
175 6PZ -0.27113 -0.54498 -0.09469 -0.63582 -0.38878
|
|
176 7PX -0.14572 2.77998 0.39955 0.95918 5.94734
|
|
177 7PY 3.07232 2.47817 0.87626 -0.01043 1.26789
|
|
178 7PZ -2.25803 -5.20173 -0.49814 -6.82614 -3.36940
|
|
179 8D 0 -0.00565 -0.01300 -0.00029 -0.01699 -0.00625
|
|
180 8D+1 0.00745 0.01687 0.00085 0.01661 0.01514
|
|
181 8D-1 0.00156 0.01473 0.00139 0.01156 0.00950
|
|
182 8D+2 0.00319 0.00273 0.01050 0.00016 -0.00723
|
|
183 8D-2 -0.00885 -0.00254 -0.00212 -0.00855 -0.00250
|
|
184 9D 0 -0.05931 -0.18351 -0.03603 -0.23700 0.00737
|
|
185 9D+1 -0.01392 0.21330 0.00978 0.03582 0.26971
|
|
186 9D-1 0.28888 0.08373 0.02555 0.00600 -0.04376
|
|
187 9D+2 0.03372 -0.06182 -0.06730 -0.00266 -0.05562
|
|
188 9D-2 0.03419 -0.11766 0.00460 0.17450 -0.15725
|
|
51 52 53 54 55
|
|
V V V V V
|
|
Eigenvalues -- 0.49631 0.49842 0.63567 0.63601 0.66040
|
|
1 1 C 1S -0.00918 0.00000 0.00000 0.00396 0.00006
|
|
2 2S 0.03308 0.00000 0.00000 -0.01227 0.06759
|
|
3 3S -0.01247 0.00000 0.00000 -0.01653 0.09367
|
|
4 4S 4.42023 0.00000 0.00000 2.98589 -5.26096
|
|
5 5S 0.10242 0.00000 0.00000 -1.35677 -7.57444
|
|
6 6PX -0.04849 0.00000 0.00000 0.02196 0.02429
|
|
7 6PY -0.01491 0.00000 0.00000 0.03592 -0.05090
|
|
8 6PZ 0.00000 -0.02164 0.04069 0.00000 0.00000
|
|
9 7PX 0.01916 0.00000 0.00000 0.18293 0.38677
|
|
10 7PY -0.03486 0.00000 0.00000 -0.10210 -0.16609
|
|
11 7PZ 0.00000 0.02002 0.47461 0.00000 0.00000
|
|
12 8PX 4.43857 0.00000 0.00000 1.25570 1.96729
|
|
13 8PY -0.78798 0.00000 0.00000 1.74134 3.76703
|
|
14 8PZ 0.00000 1.99920 2.04164 0.00000 0.00000
|
|
15 9PX -1.52976 0.00000 0.00000 -0.44041 0.50159
|
|
16 9PY -0.99343 0.00000 0.00000 0.66751 2.37338
|
|
17 9PZ 0.00000 -1.54631 0.35439 0.00000 0.00000
|
|
18 10D 0 0.00903 0.00000 0.00000 -0.00693 -0.02545
|
|
19 10D+1 0.00000 0.00890 -0.02491 0.00000 0.00000
|
|
20 10D-1 0.00000 -0.01139 -0.02323 0.00000 0.00000
|
|
21 10D+2 -0.00754 0.00000 0.00000 -0.02454 -0.00506
|
|
22 10D-2 -0.00668 0.00000 0.00000 0.00093 -0.01358
|
|
23 11D 0 0.70216 0.00000 0.00000 -0.16183 0.46831
|
|
24 11D+1 0.00000 0.57082 0.37632 0.00000 0.00000
|
|
25 11D-1 0.00000 -0.12388 0.09236 0.00000 0.00000
|
|
26 11D+2 -0.25644 0.00000 0.00000 0.07724 -0.10875
|
|
27 11D-2 -0.02382 0.00000 0.00000 -0.02251 0.02724
|
|
28 12D 0 8.75220 0.00000 0.00000 1.33859 2.12361
|
|
29 12D+1 0.00000 7.63146 0.49630 0.00000 0.00000
|
|
30 12D-1 0.00000 -6.84783 3.73473 0.00000 0.00000
|
|
31 12D+2 -3.07180 0.00000 0.00000 0.84926 0.04914
|
|
32 12D-2 -6.06590 0.00000 0.00000 4.44310 1.71658
|
|
33 13F 0 0.00000 0.01385 -0.02412 0.00000 0.00000
|
|
34 13F+1 0.00943 0.00000 0.00000 -0.01416 -0.01864
|
|
35 13F-1 0.01732 0.00000 0.00000 0.00485 -0.00603
|
|
36 13F+2 0.00000 0.01597 -0.02796 0.00000 0.00000
|
|
37 13F-2 0.00000 0.00897 -0.00154 0.00000 0.00000
|
|
38 13F+3 0.02187 0.00000 0.00000 -0.01846 -0.01041
|
|
39 13F-3 -0.00403 0.00000 0.00000 -0.00631 -0.01774
|
|
40 14F 0 0.00000 -0.09584 0.38731 0.00000 0.00000
|
|
41 14F+1 0.02286 0.00000 0.00000 0.13922 -0.02112
|
|
42 14F-1 0.16910 0.00000 0.00000 -0.14895 0.03501
|
|
43 14F+2 0.00000 -0.12199 0.41353 0.00000 0.00000
|
|
44 14F-2 0.00000 0.16327 0.27214 0.00000 0.00000
|
|
45 14F+3 -0.15395 0.00000 0.00000 0.17152 0.43742
|
|
46 14F-3 -0.13903 0.00000 0.00000 0.12267 -0.13413
|
|
47 2 S 1S -0.00293 0.00000 0.00000 0.00467 0.00925
|
|
48 2S 0.01679 0.00000 0.00000 -0.05607 -0.15253
|
|
49 3S -0.01508 0.00000 0.00000 -0.03269 -0.17267
|
|
50 4S -0.00140 0.00000 0.00000 0.02547 -0.15564
|
|
51 5S -0.39813 0.00000 0.00000 -2.38306 4.74709
|
|
52 6S -0.54361 0.00000 0.00000 0.01302 13.36804
|
|
53 7PX 0.00561 0.00000 0.00000 -0.04987 0.11056
|
|
54 7PY 0.02203 0.00000 0.00000 -0.01283 0.06973
|
|
55 7PZ 0.00000 0.04081 0.09602 0.00000 0.00000
|
|
56 8PX -0.02445 0.00000 0.00000 -0.86198 -0.59575
|
|
57 8PY 0.07545 0.00000 0.00000 0.43960 -0.40036
|
|
58 8PZ 0.00000 -0.01994 -0.61416 0.00000 0.00000
|
|
59 9PX -0.00700 0.00000 0.00000 0.10101 -0.10570
|
|
60 9PY -0.03084 0.00000 0.00000 -0.01117 -0.06967
|
|
61 9PZ 0.00000 -0.04546 -0.07168 0.00000 0.00000
|
|
62 10PX -4.40784 0.00000 0.00000 2.26194 4.96741
|
|
63 10PY -0.66303 0.00000 0.00000 -0.59158 5.80363
|
|
64 10PZ 0.00000 -4.24367 3.94246 0.00000 0.00000
|
|
65 11PX 0.84102 0.00000 0.00000 0.17648 -0.18759
|
|
66 11PY -0.60662 0.00000 0.00000 -0.11087 2.30908
|
|
67 11PZ 0.00000 -0.00479 -0.22671 0.00000 0.00000
|
|
68 12D 0 0.07560 0.00000 0.00000 0.38831 -0.64882
|
|
69 12D+1 0.00000 0.11624 0.14734 0.00000 0.00000
|
|
70 12D-1 0.00000 -0.14166 0.62969 0.00000 0.00000
|
|
71 12D+2 -0.06336 0.00000 0.00000 -0.50256 0.08719
|
|
72 12D-2 -0.17574 0.00000 0.00000 0.05671 0.46204
|
|
73 13D 0 -0.00179 0.00000 0.00000 0.04588 -0.01695
|
|
74 13D+1 0.00000 0.00954 -0.02867 0.00000 0.00000
|
|
75 13D-1 0.00000 0.09902 0.01575 0.00000 0.00000
|
|
76 13D+2 -0.01471 0.00000 0.00000 -0.12355 0.01874
|
|
77 13D-2 0.08253 0.00000 0.00000 -0.01928 -0.01207
|
|
78 14D 0 -0.74147 0.00000 0.00000 -0.91829 -1.57557
|
|
79 14D+1 0.00000 -1.03496 0.04767 0.00000 0.00000
|
|
80 14D-1 0.00000 -1.91620 0.70473 0.00000 0.00000
|
|
81 14D+2 0.77354 0.00000 0.00000 1.45636 -0.39473
|
|
82 14D-2 -2.49421 0.00000 0.00000 0.91660 -0.01317
|
|
83 15F 0 0.00000 -0.02091 -0.02673 0.00000 0.00000
|
|
84 15F+1 0.00008 0.00000 0.00000 0.04254 -0.03052
|
|
85 15F-1 0.01151 0.00000 0.00000 -0.00844 -0.00112
|
|
86 15F+2 0.00000 -0.01567 -0.02874 0.00000 0.00000
|
|
87 15F-2 0.00000 0.02598 0.01697 0.00000 0.00000
|
|
88 15F+3 -0.03539 0.00000 0.00000 -0.05637 -0.00691
|
|
89 15F-3 -0.01101 0.00000 0.00000 -0.00083 -0.01715
|
|
90 16F 0 0.00000 0.20254 -0.18726 0.00000 0.00000
|
|
91 16F+1 0.06452 0.00000 0.00000 -0.08749 -0.17223
|
|
92 16F-1 -0.05061 0.00000 0.00000 0.06537 -0.17341
|
|
93 16F+2 0.00000 0.24507 -0.12196 0.00000 0.00000
|
|
94 16F-2 0.00000 -0.09864 -0.04896 0.00000 0.00000
|
|
95 16F+3 0.35712 0.00000 0.00000 -0.04422 0.18783
|
|
96 16F-3 0.05101 0.00000 0.00000 0.06142 -0.07921
|
|
97 3 H 1S -0.00869 0.00000 0.00000 -0.07946 0.07293
|
|
98 2S -0.09631 0.00000 0.00000 -1.15252 -0.98152
|
|
99 3S 1.52894 0.00000 0.00000 5.39007 -4.46789
|
|
100 4S -0.76815 0.00000 0.00000 0.62517 0.69187
|
|
101 5PX 0.00967 0.00000 0.00000 0.04427 -0.00972
|
|
102 5PY 0.00520 0.00000 0.00000 -0.01142 0.01766
|
|
103 5PZ 0.00000 -0.00045 0.01140 0.00000 0.00000
|
|
104 6PX -0.08145 0.00000 0.00000 -0.55454 0.37370
|
|
105 6PY 0.02154 0.00000 0.00000 0.02701 -0.23177
|
|
106 6PZ 0.00000 0.00034 -0.14268 0.00000 0.00000
|
|
107 7PX -0.74943 0.00000 0.00000 -2.74065 0.28174
|
|
108 7PY 1.57153 0.00000 0.00000 2.00729 0.32342
|
|
109 7PZ 0.00000 0.54855 -0.74548 0.00000 0.00000
|
|
110 8D 0 -0.00492 0.00000 0.00000 -0.01276 0.01576
|
|
111 8D+1 0.00000 0.00328 -0.00807 0.00000 0.00000
|
|
112 8D-1 0.00000 0.00366 -0.01352 0.00000 0.00000
|
|
113 8D+2 -0.00131 0.00000 0.00000 0.02611 -0.00834
|
|
114 8D-2 -0.00584 0.00000 0.00000 0.00445 0.00772
|
|
115 9D 0 -0.04628 0.00000 0.00000 -0.22875 -0.14078
|
|
116 9D+1 0.00000 0.01755 0.22653 0.00000 0.00000
|
|
117 9D-1 0.00000 0.00786 0.15590 0.00000 0.00000
|
|
118 9D+2 0.07002 0.00000 0.00000 0.30165 0.12528
|
|
119 9D-2 -0.02252 0.00000 0.00000 -0.29233 0.13620
|
|
120 4 H 1S -0.04448 0.00000 0.00000 -0.00825 0.02837
|
|
121 2S 0.72651 0.00000 0.00000 -0.40024 1.91785
|
|
122 3S 12.91987 0.00000 0.00000 6.30403 3.72814
|
|
123 4S -0.99251 0.00000 0.00000 -0.15738 0.28667
|
|
124 5PX 0.01280 0.00000 0.00000 -0.00428 0.02638
|
|
125 5PY 0.01216 0.00000 0.00000 0.01277 0.00971
|
|
126 5PZ 0.00000 -0.02596 -0.00321 0.00000 0.00000
|
|
127 6PX 0.22152 0.00000 0.00000 -0.00128 0.19337
|
|
128 6PY -0.08994 0.00000 0.00000 -0.12246 -0.27975
|
|
129 6PZ 0.00000 0.29417 0.21556 0.00000 0.00000
|
|
130 7PX 1.92579 0.00000 0.00000 2.22234 0.41599
|
|
131 7PY -3.11937 0.00000 0.00000 1.98637 0.85613
|
|
132 7PZ 0.00000 6.57950 -0.81528 0.00000 0.00000
|
|
133 8D 0 -0.00397 0.00000 0.00000 0.00218 -0.00972
|
|
134 8D+1 0.00000 0.00481 0.01837 0.00000 0.00000
|
|
135 8D-1 0.00000 -0.00560 0.00335 0.00000 0.00000
|
|
136 8D+2 0.00276 0.00000 0.00000 0.01025 0.00949
|
|
137 8D-2 -0.01016 0.00000 0.00000 0.00114 -0.00410
|
|
138 9D 0 -0.09471 0.00000 0.00000 -0.04710 0.08319
|
|
139 9D+1 0.00000 0.33807 -0.00639 0.00000 0.00000
|
|
140 9D-1 0.00000 0.01053 0.07472 0.00000 0.00000
|
|
141 9D+2 -0.04473 0.00000 0.00000 0.02930 0.02259
|
|
142 9D-2 0.14397 0.00000 0.00000 -0.16565 -0.21447
|
|
143 5 H 1S 0.02354 0.00649 -0.06427 -0.01646 -0.02582
|
|
144 2S -0.78215 -0.52916 -1.50996 -0.20021 -0.02957
|
|
145 3S -8.60399 -6.40856 -3.04963 -4.88897 -3.23709
|
|
146 4S 0.96707 1.25050 -0.15352 -0.03169 -0.76989
|
|
147 5PX -0.01538 0.01767 0.01350 0.00179 -0.00282
|
|
148 5PY -0.00891 -0.01652 0.00112 0.00925 0.00339
|
|
149 5PZ 0.01753 0.00139 0.02035 -0.00286 0.00653
|
|
150 6PX 0.31151 -0.08842 -0.09131 -0.10038 0.10226
|
|
151 6PY 0.17138 0.14681 0.14754 0.00917 -0.00370
|
|
152 6PZ 0.04156 0.20012 0.03794 -0.01926 -0.13997
|
|
153 7PX 6.28918 -3.24615 0.61609 0.11446 0.44512
|
|
154 7PY 3.89344 4.25832 -0.90479 -0.07509 0.71860
|
|
155 7PZ -2.54232 2.28783 0.03297 1.32084 0.12146
|
|
156 8D 0 0.00019 -0.00166 -0.00955 0.00396 0.00962
|
|
157 8D+1 -0.00623 -0.00087 0.00257 0.00378 -0.00010
|
|
158 8D-1 -0.00372 -0.00754 0.00546 -0.00023 0.00211
|
|
159 8D+2 0.00116 0.00132 0.00003 0.00543 -0.00912
|
|
160 8D-2 -0.00631 -0.00027 -0.00027 0.00395 0.00223
|
|
161 9D 0 0.28541 -0.11305 -0.00088 -0.14368 0.12375
|
|
162 9D+1 -0.18451 0.07549 0.08669 0.04710 -0.00009
|
|
163 9D-1 -0.00675 -0.03417 -0.22240 -0.02537 -0.09546
|
|
164 9D+2 -0.06346 0.22091 -0.01070 -0.05209 0.02929
|
|
165 9D-2 -0.09783 0.02079 -0.17489 -0.04401 -0.06391
|
|
166 6 H 1S 0.02354 -0.00649 0.06427 -0.01646 -0.02582
|
|
167 2S -0.78215 0.52916 1.50996 -0.20021 -0.02957
|
|
168 3S -8.60399 6.40856 3.04963 -4.88897 -3.23709
|
|
169 4S 0.96707 -1.25050 0.15352 -0.03169 -0.76989
|
|
170 5PX -0.01538 -0.01767 -0.01350 0.00179 -0.00282
|
|
171 5PY -0.00891 0.01652 -0.00112 0.00925 0.00339
|
|
172 5PZ -0.01753 0.00139 0.02035 0.00286 -0.00653
|
|
173 6PX 0.31151 0.08842 0.09131 -0.10038 0.10226
|
|
174 6PY 0.17138 -0.14681 -0.14754 0.00917 -0.00370
|
|
175 6PZ -0.04156 0.20012 0.03794 0.01926 0.13997
|
|
176 7PX 6.28918 3.24615 -0.61609 0.11446 0.44512
|
|
177 7PY 3.89344 -4.25832 0.90479 -0.07509 0.71860
|
|
178 7PZ 2.54232 2.28783 0.03297 -1.32084 -0.12146
|
|
179 8D 0 0.00019 0.00166 0.00955 0.00396 0.00962
|
|
180 8D+1 0.00623 -0.00087 0.00257 -0.00378 0.00010
|
|
181 8D-1 0.00372 -0.00754 0.00546 0.00023 -0.00211
|
|
182 8D+2 0.00116 -0.00132 -0.00003 0.00543 -0.00912
|
|
183 8D-2 -0.00631 0.00027 0.00027 0.00395 0.00223
|
|
184 9D 0 0.28541 0.11305 0.00088 -0.14368 0.12375
|
|
185 9D+1 0.18451 0.07549 0.08669 -0.04710 0.00009
|
|
186 9D-1 0.00675 -0.03417 -0.22240 0.02537 0.09546
|
|
187 9D+2 -0.06346 -0.22091 0.01070 -0.05209 0.02929
|
|
188 9D-2 -0.09783 -0.02079 0.17489 -0.04401 -0.06391
|
|
56 57 58 59 60
|
|
V V V V V
|
|
Eigenvalues -- 0.67656 0.69303 0.71086 0.73097 0.76764
|
|
1 1 C 1S 0.00000 -0.00114 -0.01652 0.00000 0.05763
|
|
2 2S 0.00000 0.05828 0.01617 0.00000 -0.43265
|
|
3 3S 0.00000 0.08228 -0.05713 0.00000 -0.46488
|
|
4 4S 0.00000 1.13169 4.42420 0.00000 21.21535
|
|
5 5S 0.00000 -1.26651 -2.24577 0.00000 10.48769
|
|
6 6PX 0.00000 -0.08191 -0.06283 0.00000 0.02539
|
|
7 6PY 0.00000 0.08545 -0.05401 0.00000 -0.00902
|
|
8 6PZ -0.08788 0.00000 0.00000 -0.01275 0.00000
|
|
9 7PX 0.00000 0.08166 -0.06353 0.00000 0.00473
|
|
10 7PY 0.00000 0.18005 -0.12650 0.00000 0.61710
|
|
11 7PZ -0.16442 0.00000 0.00000 0.04042 0.00000
|
|
12 8PX 0.00000 7.20623 5.80308 0.00000 -0.20786
|
|
13 8PY 0.00000 -5.41168 5.52992 0.00000 -4.22072
|
|
14 8PZ 2.81281 0.00000 0.00000 2.15273 0.00000
|
|
15 9PX 0.00000 1.28924 1.07262 0.00000 -0.56828
|
|
16 9PY 0.00000 -1.48045 1.61012 0.00000 -1.25178
|
|
17 9PZ 2.16097 0.00000 0.00000 0.48510 0.00000
|
|
18 10D 0 0.00000 -0.00551 -0.03776 0.00000 0.01146
|
|
19 10D+1 -0.02964 0.00000 0.00000 0.00288 0.00000
|
|
20 10D-1 -0.02054 0.00000 0.00000 0.00321 0.00000
|
|
21 10D+2 0.00000 0.03815 -0.01572 0.00000 0.04466
|
|
22 10D-2 0.00000 -0.01959 -0.01150 0.00000 -0.00708
|
|
23 11D 0 0.00000 0.41479 0.32153 0.00000 0.37439
|
|
24 11D+1 0.43220 0.00000 0.00000 -0.25666 0.00000
|
|
25 11D-1 0.17044 0.00000 0.00000 0.06745 0.00000
|
|
26 11D+2 0.00000 -0.37892 -0.29093 0.00000 0.25549
|
|
27 11D-2 0.00000 0.46771 0.09405 0.00000 -0.08356
|
|
28 12D 0 0.00000 1.47885 1.86818 0.00000 0.49741
|
|
29 12D+1 -0.37900 0.00000 0.00000 -0.87692 0.00000
|
|
30 12D-1 -1.24589 0.00000 0.00000 0.49391 0.00000
|
|
31 12D+2 0.00000 -1.46797 -0.37920 0.00000 -1.42827
|
|
32 12D-2 0.00000 2.63559 0.95049 0.00000 0.76101
|
|
33 13F 0 0.00700 0.00000 0.00000 0.00077 0.00000
|
|
34 13F+1 0.00000 -0.00943 0.00573 0.00000 0.07264
|
|
35 13F-1 0.00000 0.00684 0.01804 0.00000 0.04202
|
|
36 13F+2 0.00777 0.00000 0.00000 -0.00227 0.00000
|
|
37 13F-2 0.01374 0.00000 0.00000 0.00747 0.00000
|
|
38 13F+3 0.00000 -0.00063 -0.00364 0.00000 -0.04303
|
|
39 13F-3 0.00000 -0.02054 0.00608 0.00000 0.04731
|
|
40 14F 0 -0.05227 0.00000 0.00000 0.05473 0.00000
|
|
41 14F+1 0.00000 -0.17034 0.10893 0.00000 0.69563
|
|
42 14F-1 0.00000 0.33127 0.22890 0.00000 0.54830
|
|
43 14F+2 -0.16349 0.00000 0.00000 -0.05700 0.00000
|
|
44 14F-2 0.29395 0.00000 0.00000 -0.12558 0.00000
|
|
45 14F+3 0.00000 0.17639 -0.03599 0.00000 -0.04583
|
|
46 14F-3 0.00000 -0.23652 -0.24667 0.00000 0.38539
|
|
47 2 S 1S 0.00000 -0.00289 -0.00551 0.00000 0.01084
|
|
48 2S 0.00000 0.01443 0.06081 0.00000 0.05332
|
|
49 3S 0.00000 -0.00073 0.02417 0.00000 0.30686
|
|
50 4S 0.00000 0.10708 -0.01831 0.00000 0.12725
|
|
51 5S 0.00000 -4.68454 2.45847 0.00000 -3.83395
|
|
52 6S 0.00000 -1.28697 -0.22814 0.00000 -7.12440
|
|
53 7PX 0.00000 -0.04363 -0.00388 0.00000 0.01624
|
|
54 7PY 0.00000 0.01820 0.00862 0.00000 -0.12357
|
|
55 7PZ -0.06307 0.00000 0.00000 0.00093 0.00000
|
|
56 8PX 0.00000 0.34479 0.33055 0.00000 -0.21206
|
|
57 8PY 0.00000 -0.52018 0.70027 0.00000 0.21617
|
|
58 8PZ 0.83228 0.00000 0.00000 0.36302 0.00000
|
|
59 9PX 0.00000 0.03395 -0.02453 0.00000 -0.01601
|
|
60 9PY 0.00000 0.01063 -0.05386 0.00000 0.16839
|
|
61 9PZ 0.00032 0.00000 0.00000 -0.03669 0.00000
|
|
62 10PX 0.00000 -3.08730 -1.97735 0.00000 3.18501
|
|
63 10PY 0.00000 0.01080 -1.11562 0.00000 -10.56802
|
|
64 10PZ -4.53689 0.00000 0.00000 -0.50268 0.00000
|
|
65 11PX 0.00000 -0.38463 -0.62088 0.00000 0.46405
|
|
66 11PY 0.00000 -0.01933 -0.51991 0.00000 -1.83618
|
|
67 11PZ -0.59573 0.00000 0.00000 -0.09524 0.00000
|
|
68 12D 0 0.00000 0.48114 -0.21431 0.00000 0.30057
|
|
69 12D+1 -0.37821 0.00000 0.00000 1.09558 0.00000
|
|
70 12D-1 0.25815 0.00000 0.00000 -0.11751 0.00000
|
|
71 12D+2 0.00000 -0.05801 -0.22066 0.00000 0.77582
|
|
72 12D-2 0.00000 0.65714 0.23559 0.00000 0.15530
|
|
73 13D 0 0.00000 0.02256 -0.07260 0.00000 -0.04179
|
|
74 13D+1 -0.01400 0.00000 0.00000 0.11894 0.00000
|
|
75 13D-1 0.08533 0.00000 0.00000 0.00922 0.00000
|
|
76 13D+2 0.00000 0.05095 -0.06625 0.00000 -0.04427
|
|
77 13D-2 0.00000 0.03231 0.07897 0.00000 0.05197
|
|
78 14D 0 0.00000 -0.66880 0.58070 0.00000 0.48831
|
|
79 14D+1 -0.29637 0.00000 0.00000 -0.91893 0.00000
|
|
80 14D-1 -2.44460 0.00000 0.00000 -0.41020 0.00000
|
|
81 14D+2 0.00000 -0.49038 0.55931 0.00000 2.88781
|
|
82 14D-2 0.00000 -1.66744 -1.98170 0.00000 -1.48063
|
|
83 15F 0 -0.02131 0.00000 0.00000 -0.00026 0.00000
|
|
84 15F+1 0.00000 -0.00011 0.00619 0.00000 -0.01490
|
|
85 15F-1 0.00000 0.01740 -0.01742 0.00000 0.02276
|
|
86 15F+2 -0.03832 0.00000 0.00000 -0.00101 0.00000
|
|
87 15F-2 0.00687 0.00000 0.00000 0.00973 0.00000
|
|
88 15F+3 0.00000 -0.06689 -0.05121 0.00000 -0.01607
|
|
89 15F-3 0.00000 0.03783 -0.01753 0.00000 0.02709
|
|
90 16F 0 0.25143 0.00000 0.00000 -0.16433 0.00000
|
|
91 16F+1 0.00000 0.21302 -0.02007 0.00000 -0.02906
|
|
92 16F-1 0.00000 -0.06764 0.15056 0.00000 0.24614
|
|
93 16F+2 0.08191 0.00000 0.00000 0.23788 0.00000
|
|
94 16F-2 0.02008 0.00000 0.00000 -0.09611 0.00000
|
|
95 16F+3 0.00000 -0.00473 0.23649 0.00000 -0.02123
|
|
96 16F-3 0.00000 0.15204 0.01781 0.00000 -0.01590
|
|
97 3 H 1S 0.00000 -0.06661 -0.00947 0.00000 -0.00154
|
|
98 2S 0.00000 0.33352 0.19483 0.00000 -0.28722
|
|
99 3S 0.00000 4.32799 1.12704 0.00000 -5.46358
|
|
100 4S 0.00000 -0.40345 0.52309 0.00000 -0.61135
|
|
101 5PX 0.00000 0.00878 -0.00098 0.00000 0.00230
|
|
102 5PY 0.00000 0.00928 -0.02053 0.00000 -0.02316
|
|
103 5PZ -0.01831 0.00000 0.00000 -0.00215 0.00000
|
|
104 6PX 0.00000 -0.34843 -0.00684 0.00000 0.08144
|
|
105 6PY 0.00000 0.02588 0.21389 0.00000 0.18706
|
|
106 6PZ 0.11554 0.00000 0.00000 0.14516 0.00000
|
|
107 7PX 0.00000 -0.78391 0.24774 0.00000 1.60624
|
|
108 7PY 0.00000 1.16451 1.31129 0.00000 1.70744
|
|
109 7PZ 0.79934 0.00000 0.00000 -0.20748 0.00000
|
|
110 8D 0 0.00000 -0.00803 0.00557 0.00000 0.00042
|
|
111 8D+1 0.00722 0.00000 0.00000 -0.00281 0.00000
|
|
112 8D-1 -0.00705 0.00000 0.00000 -0.00602 0.00000
|
|
113 8D+2 0.00000 0.01103 0.00797 0.00000 -0.00095
|
|
114 8D-2 0.00000 -0.00879 -0.00414 0.00000 0.01341
|
|
115 9D 0 0.00000 0.04086 -0.18673 0.00000 -0.09113
|
|
116 9D+1 -0.29659 0.00000 0.00000 0.37764 0.00000
|
|
117 9D-1 0.14917 0.00000 0.00000 0.09839 0.00000
|
|
118 9D+2 0.00000 -0.00863 -0.16763 0.00000 -0.00561
|
|
119 9D-2 0.00000 0.35060 -0.00040 0.00000 -0.34603
|
|
120 4 H 1S 0.00000 0.01796 -0.00967 0.00000 0.14549
|
|
121 2S 0.00000 2.98333 0.83891 0.00000 -1.77190
|
|
122 3S 0.00000 6.36378 4.24368 0.00000 -3.46576
|
|
123 4S 0.00000 0.86913 0.70850 0.00000 -0.78980
|
|
124 5PX 0.00000 0.04257 0.01567 0.00000 -0.00047
|
|
125 5PY 0.00000 -0.04197 0.00717 0.00000 -0.00197
|
|
126 5PZ 0.00598 0.00000 0.00000 0.00924 0.00000
|
|
127 6PX 0.00000 0.31873 0.12122 0.00000 -1.01172
|
|
128 6PY 0.00000 0.20352 0.04100 0.00000 0.32407
|
|
129 6PZ 0.11384 0.00000 0.00000 -0.06945 0.00000
|
|
130 7PX 0.00000 0.07143 -0.58158 0.00000 -0.43565
|
|
131 7PY 0.00000 3.76223 -0.29602 0.00000 0.17230
|
|
132 7PZ -1.66293 0.00000 0.00000 -1.66540 0.00000
|
|
133 8D 0 0.00000 -0.01197 -0.00214 0.00000 0.03407
|
|
134 8D+1 0.01681 0.00000 0.00000 0.00094 0.00000
|
|
135 8D-1 -0.00275 0.00000 0.00000 -0.00557 0.00000
|
|
136 8D+2 0.00000 0.01057 0.01126 0.00000 -0.04400
|
|
137 8D-2 0.00000 -0.00658 0.00984 0.00000 0.02952
|
|
138 9D 0 0.00000 0.24679 0.08719 0.00000 -0.07817
|
|
139 9D+1 -0.00362 0.00000 0.00000 -0.23339 0.00000
|
|
140 9D-1 -0.02500 0.00000 0.00000 0.07872 0.00000
|
|
141 9D+2 0.00000 0.03217 -0.26074 0.00000 0.04269
|
|
142 9D-2 0.00000 0.49399 -0.09046 0.00000 -0.18865
|
|
143 5 H 1S -0.02226 -0.01033 -0.03503 -0.00578 0.09486
|
|
144 2S -1.55755 -0.55583 -1.73055 -0.28130 -2.63478
|
|
145 3S 6.35640 -2.96538 -3.05237 0.32266 -3.40057
|
|
146 4S -1.25564 0.08834 -0.45102 -0.20089 0.06935
|
|
147 5PX 0.00961 0.01040 0.01560 -0.00638 0.00522
|
|
148 5PY 0.01891 -0.00721 0.03027 0.00399 -0.00177
|
|
149 5PZ 0.02989 0.00403 0.01722 0.00949 0.01776
|
|
150 6PX 0.01452 0.09497 0.08999 0.09265 0.49377
|
|
151 6PY -0.12481 0.01122 -0.08039 -0.00868 0.43525
|
|
152 6PZ 0.06897 0.02246 0.02457 -0.09268 0.71170
|
|
153 7PX -0.89388 -0.33471 0.33492 0.56093 0.35779
|
|
154 7PY -0.94958 0.92456 -1.25881 -0.63092 -0.45225
|
|
155 7PZ -2.93931 0.55801 0.70078 -0.22623 -0.27830
|
|
156 8D 0 -0.00859 0.00507 0.01198 0.00224 -0.02481
|
|
157 8D+1 -0.00198 -0.00983 -0.00931 -0.00159 -0.04086
|
|
158 8D-1 -0.00237 0.00958 -0.00865 -0.00433 -0.02820
|
|
159 8D+2 0.00579 -0.00916 0.00512 -0.00166 -0.00480
|
|
160 8D-2 0.00162 0.00478 -0.00349 0.00422 -0.01273
|
|
161 9D 0 0.11068 -0.00866 -0.05583 0.02729 0.18038
|
|
162 9D+1 0.15336 0.05221 0.02196 -0.11097 0.12680
|
|
163 9D-1 0.21752 -0.12072 0.28553 0.14014 -0.00275
|
|
164 9D+2 -0.01328 0.00155 -0.16034 -0.09182 -0.05738
|
|
165 9D-2 0.09438 -0.06316 0.12777 -0.11694 0.01516
|
|
166 6 H 1S 0.02226 -0.01033 -0.03503 0.00578 0.09486
|
|
167 2S 1.55755 -0.55583 -1.73055 0.28130 -2.63478
|
|
168 3S -6.35640 -2.96538 -3.05237 -0.32266 -3.40057
|
|
169 4S 1.25564 0.08834 -0.45102 0.20089 0.06935
|
|
170 5PX -0.00961 0.01040 0.01560 0.00638 0.00522
|
|
171 5PY -0.01891 -0.00721 0.03027 -0.00399 -0.00177
|
|
172 5PZ 0.02989 -0.00403 -0.01722 0.00949 -0.01776
|
|
173 6PX -0.01452 0.09497 0.08999 -0.09265 0.49377
|
|
174 6PY 0.12481 0.01122 -0.08039 0.00868 0.43525
|
|
175 6PZ 0.06897 -0.02246 -0.02457 -0.09268 -0.71170
|
|
176 7PX 0.89388 -0.33471 0.33492 -0.56093 0.35779
|
|
177 7PY 0.94958 0.92456 -1.25881 0.63092 -0.45225
|
|
178 7PZ -2.93931 -0.55801 -0.70078 -0.22623 0.27830
|
|
179 8D 0 0.00859 0.00507 0.01198 -0.00224 -0.02481
|
|
180 8D+1 -0.00198 0.00983 0.00931 -0.00159 0.04086
|
|
181 8D-1 -0.00237 -0.00958 0.00865 -0.00433 0.02820
|
|
182 8D+2 -0.00579 -0.00916 0.00512 0.00166 -0.00480
|
|
183 8D-2 -0.00162 0.00478 -0.00349 -0.00422 -0.01273
|
|
184 9D 0 -0.11068 -0.00866 -0.05583 -0.02729 0.18038
|
|
185 9D+1 0.15336 -0.05221 -0.02196 -0.11097 -0.12680
|
|
186 9D-1 0.21752 0.12072 -0.28553 0.14014 0.00275
|
|
187 9D+2 0.01328 0.00155 -0.16034 0.09182 -0.05738
|
|
188 9D-2 -0.09438 -0.06316 0.12777 0.11694 0.01516
|
|
61 62 63 64 65
|
|
V V V V V
|
|
Eigenvalues -- 0.79873 0.81595 0.83622 0.84294 0.85711
|
|
1 1 C 1S 0.02370 0.00000 -0.00739 -0.00450 0.00000
|
|
2 2S -0.11550 0.00000 0.03278 -0.00860 0.00000
|
|
3 3S -0.12206 0.00000 0.03017 -0.04195 0.00000
|
|
4 4S 4.41261 0.00000 -1.31549 0.31778 0.00000
|
|
5 5S 3.80394 0.00000 0.34751 0.09756 0.00000
|
|
6 6PX -0.18161 0.00000 -0.14031 0.01494 0.00000
|
|
7 6PY -0.05714 0.00000 -0.02552 -0.18740 0.00000
|
|
8 6PZ 0.00000 0.23671 0.00000 0.00000 -0.04293
|
|
9 7PX 0.01557 0.00000 -0.09579 -0.00315 0.00000
|
|
10 7PY 0.08621 0.00000 -0.07878 0.15170 0.00000
|
|
11 7PZ 0.00000 0.08829 0.00000 0.00000 -0.05245
|
|
12 8PX 10.72776 0.00000 13.19628 -0.24535 0.00000
|
|
13 8PY 3.09749 0.00000 0.29205 8.04480 0.00000
|
|
14 8PZ 0.00000 -16.21859 0.00000 0.00000 6.84024
|
|
15 9PX 2.29231 0.00000 2.39914 0.41385 0.00000
|
|
16 9PY 0.28192 0.00000 -0.41294 1.00226 0.00000
|
|
17 9PZ 0.00000 -3.06214 0.00000 0.00000 1.51252
|
|
18 10D 0 0.01772 0.00000 -0.00300 0.01334 0.00000
|
|
19 10D+1 0.00000 -0.00611 0.00000 0.00000 -0.01376
|
|
20 10D-1 0.00000 0.00080 0.00000 0.00000 0.00318
|
|
21 10D+2 -0.00447 0.00000 0.00729 0.01052 0.00000
|
|
22 10D-2 0.01252 0.00000 0.00216 0.00616 0.00000
|
|
23 11D 0 0.29746 0.00000 -0.11039 -0.00733 0.00000
|
|
24 11D+1 0.00000 -0.22734 0.00000 0.00000 0.01451
|
|
25 11D-1 0.00000 -0.72499 0.00000 0.00000 -0.28019
|
|
26 11D+2 -0.06187 0.00000 -0.06670 0.35881 0.00000
|
|
27 11D-2 0.72972 0.00000 0.01252 -0.05264 0.00000
|
|
28 12D 0 0.86507 0.00000 3.15526 -0.77358 0.00000
|
|
29 12D+1 0.00000 -2.54587 0.00000 0.00000 2.54309
|
|
30 12D-1 0.00000 -2.14639 0.00000 0.00000 -0.40622
|
|
31 12D+2 -0.31973 0.00000 -1.99168 0.96443 0.00000
|
|
32 12D-2 1.31995 0.00000 -0.36008 -0.48393 0.00000
|
|
33 13F 0 0.00000 -0.01294 0.00000 0.00000 0.00463
|
|
34 13F+1 0.03223 0.00000 -0.00858 0.01495 0.00000
|
|
35 13F-1 0.03284 0.00000 0.00806 0.00566 0.00000
|
|
36 13F+2 0.00000 -0.01235 0.00000 0.00000 0.00440
|
|
37 13F-2 0.00000 -0.02480 0.00000 0.00000 0.00206
|
|
38 13F+3 0.02058 0.00000 0.01810 -0.00827 0.00000
|
|
39 13F-3 0.00140 0.00000 -0.01005 0.01236 0.00000
|
|
40 14F 0 0.00000 0.19460 0.00000 0.00000 0.38528
|
|
41 14F+1 0.04802 0.00000 0.04368 0.11669 0.00000
|
|
42 14F-1 0.14482 0.00000 -0.23858 0.01672 0.00000
|
|
43 14F+2 0.00000 0.15742 0.00000 0.00000 0.34612
|
|
44 14F-2 0.00000 -0.13392 0.00000 0.00000 -0.22320
|
|
45 14F+3 -0.44027 0.00000 0.22496 -0.11791 0.00000
|
|
46 14F-3 0.03065 0.00000 0.25178 0.00811 0.00000
|
|
47 2 S 1S 0.00673 0.00000 -0.00742 -0.00598 0.00000
|
|
48 2S -0.01765 0.00000 0.00563 -0.10174 0.00000
|
|
49 3S 0.07248 0.00000 -0.12309 -0.30138 0.00000
|
|
50 4S -0.02259 0.00000 -0.07185 -0.02583 0.00000
|
|
51 5S -0.33345 0.00000 2.87027 -1.38906 0.00000
|
|
52 6S -1.29767 0.00000 0.27011 3.17399 0.00000
|
|
53 7PX -0.00611 0.00000 0.04196 -0.03496 0.00000
|
|
54 7PY 0.00908 0.00000 -0.01540 0.04737 0.00000
|
|
55 7PZ 0.00000 -0.03316 0.00000 0.00000 0.00152
|
|
56 8PX -0.20083 0.00000 0.19949 -0.08944 0.00000
|
|
57 8PY 0.04525 0.00000 -0.01720 -0.43148 0.00000
|
|
58 8PZ 0.00000 0.35137 0.00000 0.00000 -0.02623
|
|
59 9PX 0.01968 0.00000 -0.05937 0.03043 0.00000
|
|
60 9PY -0.00909 0.00000 0.01599 -0.04722 0.00000
|
|
61 9PZ 0.00000 0.00396 0.00000 0.00000 -0.00485
|
|
62 10PX -0.48474 0.00000 1.00660 -5.19408 0.00000
|
|
63 10PY 1.55466 0.00000 -1.31449 7.17946 0.00000
|
|
64 10PZ 0.00000 -0.90128 0.00000 0.00000 -0.11573
|
|
65 11PX -0.69904 0.00000 0.47592 -0.16426 0.00000
|
|
66 11PY -0.00554 0.00000 -0.51871 1.02694 0.00000
|
|
67 11PZ 0.00000 0.45907 0.00000 0.00000 0.30668
|
|
68 12D 0 -0.21014 0.00000 -0.08410 0.64563 0.00000
|
|
69 12D+1 0.00000 -0.15927 0.00000 0.00000 -0.17570
|
|
70 12D-1 0.00000 0.14723 0.00000 0.00000 -0.59146
|
|
71 12D+2 0.20354 0.00000 0.42257 -0.73425 0.00000
|
|
72 12D-2 0.03628 0.00000 -0.77053 -0.03511 0.00000
|
|
73 13D 0 0.00863 0.00000 0.02645 0.14733 0.00000
|
|
74 13D+1 0.00000 0.04234 0.00000 0.00000 -0.01180
|
|
75 13D-1 0.00000 -0.10703 0.00000 0.00000 -0.14511
|
|
76 13D+2 -0.05313 0.00000 0.03707 0.02725 0.00000
|
|
77 13D-2 0.08809 0.00000 -0.04730 0.04258 0.00000
|
|
78 14D 0 0.02300 0.00000 -0.41481 -1.21137 0.00000
|
|
79 14D+1 0.00000 -0.45027 0.00000 0.00000 -0.07293
|
|
80 14D-1 0.00000 0.42637 0.00000 0.00000 1.01305
|
|
81 14D+2 -0.06158 0.00000 0.31409 -2.54567 0.00000
|
|
82 14D-2 0.23220 0.00000 -0.23344 -0.51538 0.00000
|
|
83 15F 0 0.00000 0.02207 0.00000 0.00000 0.02554
|
|
84 15F+1 -0.01766 0.00000 -0.02963 0.06194 0.00000
|
|
85 15F-1 0.01425 0.00000 0.00769 0.00116 0.00000
|
|
86 15F+2 0.00000 0.02875 0.00000 0.00000 0.02153
|
|
87 15F-2 0.00000 -0.01026 0.00000 0.00000 -0.02045
|
|
88 15F+3 -0.01156 0.00000 0.04501 -0.04946 0.00000
|
|
89 15F-3 0.00079 0.00000 -0.00863 0.01524 0.00000
|
|
90 16F 0 0.00000 -0.12026 0.00000 0.00000 -0.24484
|
|
91 16F+1 0.05479 0.00000 -0.04082 -0.23500 0.00000
|
|
92 16F-1 -0.19828 0.00000 -0.06052 -0.16688 0.00000
|
|
93 16F+2 0.00000 -0.66977 0.00000 0.00000 -0.30498
|
|
94 16F-2 0.00000 0.19546 0.00000 0.00000 0.04067
|
|
95 16F+3 0.69396 0.00000 0.03743 0.10160 0.00000
|
|
96 16F-3 0.28514 0.00000 -0.14656 -0.56242 0.00000
|
|
97 3 H 1S -0.00174 0.00000 0.04457 -0.00386 0.00000
|
|
98 2S -0.65834 0.00000 -0.62470 0.67299 0.00000
|
|
99 3S 1.86716 0.00000 -3.63565 8.24258 0.00000
|
|
100 4S 0.24615 0.00000 -0.90313 0.75728 0.00000
|
|
101 5PX 0.00691 0.00000 -0.01364 0.01013 0.00000
|
|
102 5PY 0.01858 0.00000 -0.00202 -0.00504 0.00000
|
|
103 5PZ 0.00000 -0.02492 0.00000 0.00000 -0.00200
|
|
104 6PX 0.10349 0.00000 0.41403 -0.33572 0.00000
|
|
105 6PY -0.05799 0.00000 -0.10159 0.11819 0.00000
|
|
106 6PZ 0.00000 0.23006 0.00000 0.00000 0.02846
|
|
107 7PX -1.06343 0.00000 1.37671 -3.42748 0.00000
|
|
108 7PY -1.29784 0.00000 0.71026 0.72962 0.00000
|
|
109 7PZ 0.00000 1.01312 0.00000 0.00000 0.10608
|
|
110 8D 0 -0.00750 0.00000 0.00309 -0.00739 0.00000
|
|
111 8D+1 0.00000 0.01145 0.00000 0.00000 0.00144
|
|
112 8D-1 0.00000 -0.01201 0.00000 0.00000 0.00725
|
|
113 8D+2 -0.01549 0.00000 -0.01286 0.01426 0.00000
|
|
114 8D-2 -0.01329 0.00000 0.01054 -0.00723 0.00000
|
|
115 9D 0 0.01658 0.00000 0.22385 -0.18240 0.00000
|
|
116 9D+1 0.00000 -0.48075 0.00000 0.00000 -0.07839
|
|
117 9D-1 0.00000 0.16328 0.00000 0.00000 -0.16009
|
|
118 9D+2 0.33202 0.00000 -0.28498 0.33901 0.00000
|
|
119 9D-2 0.38417 0.00000 -0.23823 -0.27495 0.00000
|
|
120 4 H 1S -0.04567 0.00000 -0.01735 0.04265 0.00000
|
|
121 2S 0.22565 0.00000 1.31410 -0.28936 0.00000
|
|
122 3S 14.29011 0.00000 16.97128 -7.25104 0.00000
|
|
123 4S 1.65865 0.00000 2.45727 0.18366 0.00000
|
|
124 5PX -0.00708 0.00000 0.03392 -0.00184 0.00000
|
|
125 5PY -0.00941 0.00000 0.03538 0.00399 0.00000
|
|
126 5PZ 0.00000 -0.03466 0.00000 0.00000 0.01334
|
|
127 6PX 0.33438 0.00000 0.05893 -0.32913 0.00000
|
|
128 6PY 0.05189 0.00000 -0.52431 0.04903 0.00000
|
|
129 6PZ 0.00000 0.32259 0.00000 0.00000 -0.04937
|
|
130 7PX 3.86571 0.00000 1.85171 -1.48168 0.00000
|
|
131 7PY -0.18501 0.00000 -3.14147 0.04455 0.00000
|
|
132 7PZ 0.00000 0.58969 0.00000 0.00000 0.06611
|
|
133 8D 0 -0.01349 0.00000 -0.00688 0.00413 0.00000
|
|
134 8D+1 0.00000 -0.00257 0.00000 0.00000 0.01195
|
|
135 8D-1 0.00000 0.00496 0.00000 0.00000 0.00223
|
|
136 8D+2 0.00260 0.00000 0.02388 -0.01769 0.00000
|
|
137 8D-2 -0.00748 0.00000 -0.00920 0.01030 0.00000
|
|
138 9D 0 0.03452 0.00000 0.08551 0.05495 0.00000
|
|
139 9D+1 0.00000 0.53415 0.00000 0.00000 -0.31894
|
|
140 9D-1 0.00000 -0.02061 0.00000 0.00000 0.00799
|
|
141 9D+2 0.19294 0.00000 -0.76469 0.14933 0.00000
|
|
142 9D-2 0.47785 0.00000 -0.37733 -0.20563 0.00000
|
|
143 5 H 1S 0.08075 -0.05792 0.00242 0.02775 -0.00735
|
|
144 2S -1.01404 1.39964 -0.32497 -0.26396 -0.51519
|
|
145 3S -10.81408 20.07816 -7.67361 -2.27469 -6.83443
|
|
146 4S -1.30577 2.27856 -0.84941 -0.67816 -1.41919
|
|
147 5PX 0.01532 0.00352 0.03156 0.00241 0.00362
|
|
148 5PY 0.01180 -0.00116 -0.01371 0.01323 -0.03394
|
|
149 5PZ -0.01183 -0.01482 -0.00150 -0.00468 0.02985
|
|
150 6PX 0.10927 -0.31963 -0.26695 0.08118 -0.03204
|
|
151 6PY 0.09678 -0.13129 0.14297 -0.07650 0.40254
|
|
152 6PZ 0.66047 -0.40305 0.05081 0.23859 -0.24910
|
|
153 7PX 0.61468 -1.89909 0.07327 -0.53222 -0.05142
|
|
154 7PY -0.09776 -1.06114 1.56818 -0.31923 2.64615
|
|
155 7PZ 2.16239 -3.26330 0.62128 0.96875 -0.27283
|
|
156 8D 0 -0.02085 0.01520 0.00116 -0.00951 -0.01461
|
|
157 8D+1 -0.01889 0.02197 -0.00740 -0.00610 0.00298
|
|
158 8D-1 -0.01625 0.01406 0.00230 -0.00817 0.00114
|
|
159 8D+2 0.00485 0.00270 -0.00940 -0.00394 -0.00846
|
|
160 8D-2 -0.01561 0.00399 -0.00363 -0.00909 -0.00215
|
|
161 9D 0 -0.19999 -0.20362 -0.19443 -0.09160 0.75545
|
|
162 9D+1 0.14402 -0.08814 0.47854 -0.05080 0.19484
|
|
163 9D-1 0.30792 -0.31500 -0.12193 0.13741 -0.38293
|
|
164 9D+2 -0.02366 0.06314 0.45326 0.02838 0.38572
|
|
165 9D-2 0.15604 -0.18241 0.06477 0.24909 -0.26506
|
|
166 6 H 1S 0.08075 0.05792 0.00242 0.02775 0.00735
|
|
167 2S -1.01404 -1.39964 -0.32497 -0.26396 0.51519
|
|
168 3S -10.81408 -20.07816 -7.67361 -2.27469 6.83443
|
|
169 4S -1.30577 -2.27856 -0.84941 -0.67816 1.41919
|
|
170 5PX 0.01532 -0.00352 0.03156 0.00241 -0.00362
|
|
171 5PY 0.01180 0.00116 -0.01371 0.01323 0.03394
|
|
172 5PZ 0.01183 -0.01482 0.00150 0.00468 0.02985
|
|
173 6PX 0.10927 0.31963 -0.26695 0.08118 0.03204
|
|
174 6PY 0.09678 0.13129 0.14297 -0.07650 -0.40254
|
|
175 6PZ -0.66047 -0.40305 -0.05081 -0.23859 -0.24910
|
|
176 7PX 0.61468 1.89909 0.07327 -0.53222 0.05142
|
|
177 7PY -0.09776 1.06114 1.56818 -0.31923 -2.64615
|
|
178 7PZ -2.16239 -3.26330 -0.62128 -0.96875 -0.27283
|
|
179 8D 0 -0.02085 -0.01520 0.00116 -0.00951 0.01461
|
|
180 8D+1 0.01889 0.02197 0.00740 0.00610 0.00298
|
|
181 8D-1 0.01625 0.01406 -0.00230 0.00817 0.00114
|
|
182 8D+2 0.00485 -0.00270 -0.00940 -0.00394 0.00846
|
|
183 8D-2 -0.01561 -0.00399 -0.00363 -0.00909 0.00215
|
|
184 9D 0 -0.19999 0.20362 -0.19443 -0.09160 -0.75545
|
|
185 9D+1 -0.14402 -0.08814 -0.47854 0.05080 0.19484
|
|
186 9D-1 -0.30792 -0.31500 0.12193 -0.13741 -0.38293
|
|
187 9D+2 -0.02366 -0.06314 0.45326 0.02838 -0.38572
|
|
188 9D-2 0.15604 0.18241 0.06477 0.24909 0.26506
|
|
66 67 68 69 70
|
|
V V V V V
|
|
Eigenvalues -- 0.86705 0.87005 0.89289 0.91331 0.93439
|
|
1 1 C 1S 0.03850 0.00000 0.06357 0.00000 0.00000
|
|
2 2S -0.08562 0.00000 -0.22047 0.00000 0.00000
|
|
3 3S -0.07670 0.00000 -0.18596 0.00000 0.00000
|
|
4 4S 7.08501 0.00000 13.72943 0.00000 0.00000
|
|
5 5S 4.17251 0.00000 6.07203 0.00000 0.00000
|
|
6 6PX 0.07380 0.00000 -0.03714 0.00000 0.00000
|
|
7 6PY -0.15526 0.00000 0.06635 0.00000 0.00000
|
|
8 6PZ 0.00000 0.06527 0.00000 0.11114 0.07960
|
|
9 7PX -0.33199 0.00000 0.58308 0.00000 0.00000
|
|
10 7PY 0.17339 0.00000 0.31942 0.00000 0.00000
|
|
11 7PZ 0.00000 -0.04082 0.00000 -0.41760 -0.73712
|
|
12 8PX -2.43993 0.00000 2.05075 0.00000 0.00000
|
|
13 8PY 10.52217 0.00000 -1.99022 0.00000 0.00000
|
|
14 8PZ 0.00000 -3.29472 0.00000 -4.24773 -2.40397
|
|
15 9PX -0.40037 0.00000 0.78696 0.00000 0.00000
|
|
16 9PY 0.86711 0.00000 -1.11757 0.00000 0.00000
|
|
17 9PZ 0.00000 -0.57749 0.00000 -0.72779 -0.29842
|
|
18 10D 0 -0.01243 0.00000 0.01103 0.00000 0.00000
|
|
19 10D+1 0.00000 -0.01057 0.00000 -0.03177 -0.03930
|
|
20 10D-1 0.00000 -0.00037 0.00000 -0.02105 -0.03483
|
|
21 10D+2 0.00584 0.00000 0.00435 0.00000 0.00000
|
|
22 10D-2 -0.01562 0.00000 0.01247 0.00000 0.00000
|
|
23 11D 0 0.00581 0.00000 0.53366 0.00000 0.00000
|
|
24 11D+1 0.00000 0.01002 0.00000 -0.02795 -0.05211
|
|
25 11D-1 0.00000 -0.11610 0.00000 -0.04337 -0.38864
|
|
26 11D+2 0.50504 0.00000 -0.31710 0.00000 0.00000
|
|
27 11D-2 0.12735 0.00000 0.24034 0.00000 0.00000
|
|
28 12D 0 2.71791 0.00000 0.73916 0.00000 0.00000
|
|
29 12D+1 0.00000 0.29374 0.00000 1.34487 0.91591
|
|
30 12D-1 0.00000 -1.00484 0.00000 -0.04030 3.88023
|
|
31 12D+2 2.04923 0.00000 -0.10141 0.00000 0.00000
|
|
32 12D-2 -0.91953 0.00000 -0.14213 0.00000 0.00000
|
|
33 13F 0 0.00000 0.00241 0.00000 0.00431 -0.00635
|
|
34 13F+1 0.04469 0.00000 0.05290 0.00000 0.00000
|
|
35 13F-1 -0.00383 0.00000 0.04056 0.00000 0.00000
|
|
36 13F+2 0.00000 0.00282 0.00000 0.00377 -0.00604
|
|
37 13F-2 0.00000 -0.00167 0.00000 0.00085 0.00650
|
|
38 13F+3 -0.00470 0.00000 -0.00703 0.00000 0.00000
|
|
39 13F-3 -0.00779 0.00000 0.00992 0.00000 0.00000
|
|
40 14F 0 0.00000 -0.61944 0.00000 0.38896 -0.24021
|
|
41 14F+1 -0.19535 0.00000 0.08072 0.00000 0.00000
|
|
42 14F-1 0.24963 0.00000 0.20484 0.00000 0.00000
|
|
43 14F+2 0.00000 0.34594 0.00000 -0.67244 0.38458
|
|
44 14F-2 0.00000 0.08743 0.00000 0.05472 -0.22526
|
|
45 14F+3 -0.21828 0.00000 0.26191 0.00000 0.00000
|
|
46 14F-3 0.23871 0.00000 0.24362 0.00000 0.00000
|
|
47 2 S 1S -0.00168 0.00000 0.00465 0.00000 0.00000
|
|
48 2S 0.03424 0.00000 0.02293 0.00000 0.00000
|
|
49 3S 0.03844 0.00000 0.13603 0.00000 0.00000
|
|
50 4S 0.02270 0.00000 0.07730 0.00000 0.00000
|
|
51 5S 1.35484 0.00000 -3.18507 0.00000 0.00000
|
|
52 6S -1.81769 0.00000 -3.80261 0.00000 0.00000
|
|
53 7PX -0.03896 0.00000 -0.00009 0.00000 0.00000
|
|
54 7PY 0.04880 0.00000 -0.02005 0.00000 0.00000
|
|
55 7PZ 0.00000 0.00094 0.00000 0.02284 0.01244
|
|
56 8PX 0.63136 0.00000 -0.20173 0.00000 0.00000
|
|
57 8PY -0.50458 0.00000 0.01106 0.00000 0.00000
|
|
58 8PZ 0.00000 0.31162 0.00000 0.21267 -0.27025
|
|
59 9PX 0.04231 0.00000 -0.01344 0.00000 0.00000
|
|
60 9PY -0.06155 0.00000 0.05312 0.00000 0.00000
|
|
61 9PZ 0.00000 -0.03158 0.00000 -0.05340 0.00021
|
|
62 10PX -8.35857 0.00000 1.38513 0.00000 0.00000
|
|
63 10PY 9.78500 0.00000 -2.63418 0.00000 0.00000
|
|
64 10PZ 0.00000 0.24544 0.00000 1.67614 2.12655
|
|
65 11PX -0.90137 0.00000 0.94947 0.00000 0.00000
|
|
66 11PY 0.35688 0.00000 -1.11373 0.00000 0.00000
|
|
67 11PZ 0.00000 0.28033 0.00000 0.37890 -0.06221
|
|
68 12D 0 -0.27234 0.00000 0.28452 0.00000 0.00000
|
|
69 12D+1 0.00000 0.03780 0.00000 0.18216 0.24806
|
|
70 12D-1 0.00000 -0.26215 0.00000 -0.20484 0.48326
|
|
71 12D+2 -0.53438 0.00000 0.15889 0.00000 0.00000
|
|
72 12D-2 -0.22746 0.00000 0.16729 0.00000 0.00000
|
|
73 13D 0 -0.05001 0.00000 -0.02224 0.00000 0.00000
|
|
74 13D+1 0.00000 -0.07018 0.00000 -0.09623 0.07855
|
|
75 13D-1 0.00000 -0.02648 0.00000 0.00648 0.00846
|
|
76 13D+2 0.09221 0.00000 -0.16844 0.00000 0.00000
|
|
77 13D-2 -0.06311 0.00000 -0.12430 0.00000 0.00000
|
|
78 14D 0 0.23034 0.00000 0.43862 0.00000 0.00000
|
|
79 14D+1 0.00000 0.64666 0.00000 1.16440 -1.17788
|
|
80 14D-1 0.00000 -0.12070 0.00000 -0.08473 1.29395
|
|
81 14D+2 -3.89193 0.00000 2.31100 0.00000 0.00000
|
|
82 14D-2 1.02060 0.00000 1.42510 0.00000 0.00000
|
|
83 15F 0 0.00000 0.04056 0.00000 0.03037 -0.00434
|
|
84 15F+1 -0.00756 0.00000 0.04645 0.00000 0.00000
|
|
85 15F-1 -0.01437 0.00000 -0.01590 0.00000 0.00000
|
|
86 15F+2 0.00000 -0.00499 0.00000 -0.00347 0.00745
|
|
87 15F-2 0.00000 0.00255 0.00000 0.01041 0.02791
|
|
88 15F+3 0.01673 0.00000 -0.01361 0.00000 0.00000
|
|
89 15F-3 -0.02200 0.00000 0.00524 0.00000 0.00000
|
|
90 16F 0 0.00000 -0.48249 0.00000 -0.54716 -0.00431
|
|
91 16F+1 0.37841 0.00000 -0.42112 0.00000 0.00000
|
|
92 16F-1 -0.13871 0.00000 0.32267 0.00000 0.00000
|
|
93 16F+2 0.00000 0.34035 0.00000 0.57792 -0.33004
|
|
94 16F-2 0.00000 -0.12232 0.00000 -0.30358 -0.30761
|
|
95 16F+3 -0.45106 0.00000 0.15224 0.00000 0.00000
|
|
96 16F-3 0.12122 0.00000 0.84572 0.00000 0.00000
|
|
97 3 H 1S -0.05189 0.00000 -0.00644 0.00000 0.00000
|
|
98 2S 0.56908 0.00000 -0.00848 0.00000 0.00000
|
|
99 3S 14.24842 0.00000 -1.51550 0.00000 0.00000
|
|
100 4S 0.96217 0.00000 -0.87502 0.00000 0.00000
|
|
101 5PX 0.00775 0.00000 0.00990 0.00000 0.00000
|
|
102 5PY 0.00977 0.00000 0.02851 0.00000 0.00000
|
|
103 5PZ 0.00000 0.01686 0.00000 0.02701 -0.00537
|
|
104 6PX -0.38668 0.00000 -0.04585 0.00000 0.00000
|
|
105 6PY -0.06824 0.00000 -0.37118 0.00000 0.00000
|
|
106 6PZ 0.00000 -0.15946 0.00000 -0.23802 0.10423
|
|
107 7PX -3.09133 0.00000 -0.82221 0.00000 0.00000
|
|
108 7PY -0.20548 0.00000 -1.63212 0.00000 0.00000
|
|
109 7PZ 0.00000 -1.08116 0.00000 -2.42463 0.79455
|
|
110 8D 0 -0.00741 0.00000 0.01724 0.00000 0.00000
|
|
111 8D+1 0.00000 -0.01589 0.00000 -0.02170 0.01063
|
|
112 8D-1 0.00000 -0.00552 0.00000 0.00844 0.03324
|
|
113 8D+2 0.00633 0.00000 0.01005 0.00000 0.00000
|
|
114 8D-2 -0.00735 0.00000 -0.01449 0.00000 0.00000
|
|
115 9D 0 0.31651 0.00000 -0.45533 0.00000 0.00000
|
|
116 9D+1 0.00000 0.54397 0.00000 0.90448 -0.30979
|
|
117 9D-1 0.00000 0.08037 0.00000 -0.20985 -0.57580
|
|
118 9D+2 -0.36743 0.00000 0.28886 0.00000 0.00000
|
|
119 9D-2 0.16242 0.00000 0.71674 0.00000 0.00000
|
|
120 4 H 1S 0.06684 0.00000 0.01532 0.00000 0.00000
|
|
121 2S -0.84056 0.00000 0.22028 0.00000 0.00000
|
|
122 3S -10.90726 0.00000 1.24895 0.00000 0.00000
|
|
123 4S -1.29345 0.00000 1.19367 0.00000 0.00000
|
|
124 5PX 0.01470 0.00000 0.00581 0.00000 0.00000
|
|
125 5PY 0.01699 0.00000 0.01387 0.00000 0.00000
|
|
126 5PZ 0.00000 0.02656 0.00000 -0.04391 0.02193
|
|
127 6PX -0.77223 0.00000 -0.05192 0.00000 0.00000
|
|
128 6PY 0.04740 0.00000 -0.21323 0.00000 0.00000
|
|
129 6PZ 0.00000 -0.26462 0.00000 0.65319 -0.32830
|
|
130 7PX -2.94525 0.00000 0.23189 0.00000 0.00000
|
|
131 7PY 0.40116 0.00000 -0.73238 0.00000 0.00000
|
|
132 7PZ 0.00000 -1.16655 0.00000 2.61125 -0.37053
|
|
133 8D 0 0.02132 0.00000 0.00707 0.00000 0.00000
|
|
134 8D+1 0.00000 0.02163 0.00000 -0.00139 0.00529
|
|
135 8D-1 0.00000 0.01327 0.00000 0.00536 0.00924
|
|
136 8D+2 -0.02522 0.00000 -0.00254 0.00000 0.00000
|
|
137 8D-2 0.01804 0.00000 0.00188 0.00000 0.00000
|
|
138 9D 0 -0.33932 0.00000 -0.25431 0.00000 0.00000
|
|
139 9D+1 0.00000 -0.79406 0.00000 0.90727 -0.17194
|
|
140 9D-1 0.00000 0.02567 0.00000 -0.59015 -0.19491
|
|
141 9D+2 -0.31704 0.00000 -0.07601 0.00000 0.00000
|
|
142 9D-2 0.18193 0.00000 -0.29485 0.00000 0.00000
|
|
143 5 H 1S 0.03329 -0.01673 0.05189 -0.03810 -0.04652
|
|
144 2S -0.51598 0.13873 -1.48706 0.04583 0.50695
|
|
145 3S -6.12120 4.52658 -5.14852 5.15898 1.32555
|
|
146 4S -0.27646 0.43647 -0.55690 0.76980 0.60547
|
|
147 5PX -0.01119 0.03522 0.00286 -0.01594 0.01982
|
|
148 5PY 0.02238 0.00387 -0.00196 0.00848 0.00205
|
|
149 5PZ -0.00134 -0.01751 0.00652 0.01915 0.00817
|
|
150 6PX 0.28502 -0.47013 0.36811 0.14679 -0.41753
|
|
151 6PY -0.18845 -0.10502 0.32474 -0.22020 -0.11998
|
|
152 6PZ 0.29771 0.12475 0.53759 -0.37650 -0.31911
|
|
153 7PX 1.01113 -2.40105 0.39179 -0.32479 -1.00617
|
|
154 7PY 0.97889 -0.14039 1.14620 -1.00662 -2.08204
|
|
155 7PZ -0.05768 -0.09377 0.62332 -2.06262 -0.89414
|
|
156 8D 0 -0.00853 0.01616 -0.01666 -0.00032 0.00347
|
|
157 8D+1 -0.01388 -0.00259 -0.02765 0.01460 0.01150
|
|
158 8D-1 -0.00849 -0.00272 -0.01694 0.00841 0.01423
|
|
159 8D+2 -0.00423 -0.00929 -0.00335 0.00528 0.00142
|
|
160 8D-2 0.00193 0.00849 -0.01167 -0.00030 -0.00380
|
|
161 9D 0 -0.09241 -0.70567 -0.01271 0.46632 0.17919
|
|
162 9D+1 0.17480 0.45470 0.02152 -0.22141 0.56466
|
|
163 9D-1 0.23525 -0.03735 -0.20668 0.41645 -0.08692
|
|
164 9D+2 -0.30451 0.45744 -0.13905 -0.16258 0.18669
|
|
165 9D-2 -0.10956 0.23826 -0.10394 0.00867 0.56681
|
|
166 6 H 1S 0.03329 0.01673 0.05189 0.03810 0.04652
|
|
167 2S -0.51598 -0.13873 -1.48706 -0.04583 -0.50695
|
|
168 3S -6.12120 -4.52658 -5.14852 -5.15898 -1.32555
|
|
169 4S -0.27646 -0.43647 -0.55690 -0.76980 -0.60547
|
|
170 5PX -0.01119 -0.03522 0.00286 0.01594 -0.01982
|
|
171 5PY 0.02238 -0.00387 -0.00196 -0.00848 -0.00205
|
|
172 5PZ 0.00134 -0.01751 -0.00652 0.01915 0.00817
|
|
173 6PX 0.28502 0.47013 0.36811 -0.14679 0.41753
|
|
174 6PY -0.18845 0.10502 0.32474 0.22020 0.11998
|
|
175 6PZ -0.29771 0.12475 -0.53759 -0.37650 -0.31911
|
|
176 7PX 1.01113 2.40105 0.39179 0.32479 1.00617
|
|
177 7PY 0.97889 0.14039 1.14620 1.00662 2.08204
|
|
178 7PZ 0.05768 -0.09377 -0.62332 -2.06262 -0.89414
|
|
179 8D 0 -0.00853 -0.01616 -0.01666 0.00032 -0.00347
|
|
180 8D+1 0.01388 -0.00259 0.02765 0.01460 0.01150
|
|
181 8D-1 0.00849 -0.00272 0.01694 0.00841 0.01423
|
|
182 8D+2 -0.00423 0.00929 -0.00335 -0.00528 -0.00142
|
|
183 8D-2 0.00193 -0.00849 -0.01167 0.00030 0.00380
|
|
184 9D 0 -0.09241 0.70567 -0.01271 -0.46632 -0.17919
|
|
185 9D+1 -0.17480 0.45470 -0.02152 -0.22141 0.56466
|
|
186 9D-1 -0.23525 -0.03735 0.20668 0.41645 -0.08692
|
|
187 9D+2 -0.30451 -0.45744 -0.13905 0.16258 -0.18669
|
|
188 9D-2 -0.10956 -0.23826 -0.10394 -0.00867 -0.56681
|
|
71 72 73 74 75
|
|
V V V V V
|
|
Eigenvalues -- 0.94341 0.95801 0.97784 0.98083 0.99312
|
|
1 1 C 1S 0.04104 0.04888 0.00000 0.06813 0.02723
|
|
2 2S -0.07142 -0.05589 0.00000 -0.10185 -0.02845
|
|
3 3S -0.13902 -0.08333 0.00000 -0.03952 -0.00279
|
|
4 4S 17.37649 16.21362 0.00000 13.31361 2.52961
|
|
5 5S 4.20093 1.81430 0.00000 -0.33805 0.22833
|
|
6 6PX 0.08562 -0.12936 0.00000 0.04597 -0.07548
|
|
7 6PY -0.08003 -0.10267 0.00000 0.05270 0.00025
|
|
8 6PZ 0.00000 0.00000 0.13104 0.00000 0.00000
|
|
9 7PX -0.35118 0.92610 0.00000 -0.79326 -0.09779
|
|
10 7PY 0.37756 0.43841 0.00000 0.36899 0.31099
|
|
11 7PZ 0.00000 0.00000 -0.98338 0.00000 0.00000
|
|
12 8PX -2.00768 1.81346 0.00000 -1.11922 0.83849
|
|
13 8PY 0.57061 3.24791 0.00000 -0.42098 2.54449
|
|
14 8PZ 0.00000 0.00000 -0.41996 0.00000 0.00000
|
|
15 9PX -0.61340 -0.39936 0.00000 0.20156 0.33338
|
|
16 9PY -0.16246 0.91993 0.00000 0.18137 0.00786
|
|
17 9PZ 0.00000 0.00000 0.30221 0.00000 0.00000
|
|
18 10D 0 -0.00655 0.04742 0.00000 0.01227 0.00269
|
|
19 10D+1 0.00000 0.00000 -0.02230 0.00000 0.00000
|
|
20 10D-1 0.00000 0.00000 -0.03955 0.00000 0.00000
|
|
21 10D+2 0.05643 -0.01133 0.00000 0.00256 0.00189
|
|
22 10D-2 -0.01118 0.03253 0.00000 -0.02134 0.00339
|
|
23 11D 0 0.15967 0.75740 0.00000 -1.09588 0.40854
|
|
24 11D+1 0.00000 0.00000 -1.15305 0.00000 0.00000
|
|
25 11D-1 0.00000 0.00000 0.28895 0.00000 0.00000
|
|
26 11D+2 -0.07709 -0.11629 0.00000 0.99828 0.33463
|
|
27 11D-2 0.00123 0.05052 0.00000 0.02061 -0.37303
|
|
28 12D 0 0.72008 -3.04544 0.00000 0.68689 -2.79408
|
|
29 12D+1 0.00000 0.00000 5.10077 0.00000 0.00000
|
|
30 12D-1 0.00000 0.00000 -3.74537 0.00000 0.00000
|
|
31 12D+2 -2.97959 2.05945 0.00000 -0.78552 0.07875
|
|
32 12D-2 1.04987 1.03342 0.00000 -1.85280 4.04886
|
|
33 13F 0 0.00000 0.00000 0.00488 0.00000 0.00000
|
|
34 13F+1 0.02708 0.02909 0.00000 0.00045 -0.00629
|
|
35 13F-1 0.04590 0.01892 0.00000 -0.01632 0.00490
|
|
36 13F+2 0.00000 0.00000 0.01518 0.00000 0.00000
|
|
37 13F-2 0.00000 0.00000 -0.02033 0.00000 0.00000
|
|
38 13F+3 -0.01265 -0.02122 0.00000 -0.01387 -0.01474
|
|
39 13F-3 0.03800 0.01194 0.00000 0.02204 0.00220
|
|
40 14F 0 0.00000 0.00000 -0.66624 0.00000 0.00000
|
|
41 14F+1 0.46106 0.31761 0.00000 0.22356 0.48764
|
|
42 14F-1 0.03331 0.32212 0.00000 -0.13952 -0.19958
|
|
43 14F+2 0.00000 0.00000 -0.48730 0.00000 0.00000
|
|
44 14F-2 0.00000 0.00000 0.02708 0.00000 0.00000
|
|
45 14F+3 -0.11257 0.33326 0.00000 -0.68706 0.30347
|
|
46 14F-3 0.01852 0.05920 0.00000 0.09708 0.12077
|
|
47 2 S 1S -0.01024 -0.01836 0.00000 0.01120 0.03688
|
|
48 2S 0.04427 0.02405 0.00000 0.00039 -0.00236
|
|
49 3S -0.08288 -0.26620 0.00000 0.18841 0.64294
|
|
50 4S -0.01488 -0.04466 0.00000 0.00535 0.19891
|
|
51 5S 1.91036 3.50094 0.00000 -1.40027 -10.46386
|
|
52 6S -0.67638 1.59583 0.00000 1.43865 -3.45052
|
|
53 7PX 0.05401 0.03955 0.00000 -0.00554 -0.10791
|
|
54 7PY -0.00464 0.02137 0.00000 -0.02581 -0.00044
|
|
55 7PZ 0.00000 0.00000 -0.01298 0.00000 0.00000
|
|
56 8PX 0.23979 0.39474 0.00000 -0.02265 -0.56970
|
|
57 8PY 0.04225 -0.35413 0.00000 -0.50924 -0.46164
|
|
58 8PZ 0.00000 0.00000 -0.03087 0.00000 0.00000
|
|
59 9PX -0.08328 -0.06277 0.00000 0.01025 0.16879
|
|
60 9PY 0.02259 -0.01033 0.00000 0.08065 0.02063
|
|
61 9PZ 0.00000 0.00000 0.03657 0.00000 0.00000
|
|
62 10PX 5.04659 2.44770 0.00000 -1.64838 -4.36411
|
|
63 10PY -4.32828 -0.49032 0.00000 -1.78896 4.64539
|
|
64 10PZ 0.00000 0.00000 -3.91361 0.00000 0.00000
|
|
65 11PX 0.37245 -0.24292 0.00000 -0.13304 -0.53563
|
|
66 11PY -0.64060 0.24970 0.00000 -0.01307 0.49780
|
|
67 11PZ 0.00000 0.00000 -0.43618 0.00000 0.00000
|
|
68 12D 0 0.27396 0.08475 0.00000 -0.29460 -0.20440
|
|
69 12D+1 0.00000 0.00000 -0.04665 0.00000 0.00000
|
|
70 12D-1 0.00000 0.00000 -0.81747 0.00000 0.00000
|
|
71 12D+2 0.97136 0.35039 0.00000 -0.02349 -0.84853
|
|
72 12D-2 0.08373 0.42700 0.00000 -0.88653 0.29320
|
|
73 13D 0 0.03596 -0.03915 0.00000 -0.01799 -0.02176
|
|
74 13D+1 0.00000 0.00000 0.03375 0.00000 0.00000
|
|
75 13D-1 0.00000 0.00000 -0.00182 0.00000 0.00000
|
|
76 13D+2 0.01319 0.06410 0.00000 -0.03246 0.02251
|
|
77 13D-2 -0.05318 0.01340 0.00000 0.12038 -0.00690
|
|
78 14D 0 -0.54362 0.60900 0.00000 0.05162 0.62995
|
|
79 14D+1 0.00000 0.00000 -1.12974 0.00000 0.00000
|
|
80 14D-1 0.00000 0.00000 -1.37806 0.00000 0.00000
|
|
81 14D+2 1.95195 -0.30296 0.00000 0.55044 -2.84353
|
|
82 14D-2 0.27725 -0.02456 0.00000 -1.90609 2.20834
|
|
83 15F 0 0.00000 0.00000 -0.04034 0.00000 0.00000
|
|
84 15F+1 -0.00908 -0.03932 0.00000 0.00391 0.08398
|
|
85 15F-1 0.06004 -0.03278 0.00000 -0.01899 0.00061
|
|
86 15F+2 0.00000 0.00000 0.02848 0.00000 0.00000
|
|
87 15F-2 0.00000 0.00000 0.01406 0.00000 0.00000
|
|
88 15F+3 0.03553 0.01887 0.00000 -0.03427 -0.05556
|
|
89 15F-3 -0.00184 0.00314 0.00000 -0.01261 0.04377
|
|
90 16F 0 0.00000 0.00000 0.74701 0.00000 0.00000
|
|
91 16F+1 -0.29458 0.16137 0.00000 -0.05110 -0.19118
|
|
92 16F-1 -0.39841 0.50350 0.00000 0.41416 -0.34673
|
|
93 16F+2 0.00000 0.00000 0.03061 0.00000 0.00000
|
|
94 16F-2 0.00000 0.00000 -0.14881 0.00000 0.00000
|
|
95 16F+3 0.16010 -0.31934 0.00000 0.65310 -0.65586
|
|
96 16F-3 0.45156 -0.18543 0.00000 -0.45738 -0.40036
|
|
97 3 H 1S 0.03523 0.02755 0.00000 -0.00143 -0.10849
|
|
98 2S -0.79236 0.03889 0.00000 -0.78607 0.35367
|
|
99 3S -8.31111 -3.58933 0.00000 -0.00074 16.57993
|
|
100 4S -0.69567 0.38928 0.00000 0.05882 1.24409
|
|
101 5PX -0.01418 -0.01722 0.00000 0.00035 0.03496
|
|
102 5PY 0.00463 -0.01203 0.00000 -0.01530 -0.00946
|
|
103 5PZ 0.00000 0.00000 -0.00953 0.00000 0.00000
|
|
104 6PX 0.45937 0.24832 0.00000 0.11075 -0.98016
|
|
105 6PY -0.09141 0.12696 0.00000 0.14157 0.15856
|
|
106 6PZ 0.00000 0.00000 0.12361 0.00000 0.00000
|
|
107 7PX 2.79777 1.95273 0.00000 -0.08314 -5.25277
|
|
108 7PY -0.80927 0.01357 0.00000 2.06447 0.91577
|
|
109 7PZ 0.00000 0.00000 0.77026 0.00000 0.00000
|
|
110 8D 0 0.00505 -0.00109 0.00000 0.00301 -0.00687
|
|
111 8D+1 0.00000 0.00000 -0.00174 0.00000 0.00000
|
|
112 8D-1 0.00000 0.00000 -0.00207 0.00000 0.00000
|
|
113 8D+2 -0.01362 -0.00572 0.00000 0.00720 0.03258
|
|
114 8D-2 -0.00893 0.00403 0.00000 0.00402 0.00022
|
|
115 9D 0 0.19704 0.32408 0.00000 -0.23161 -0.38516
|
|
116 9D+1 0.00000 0.00000 -0.06426 0.00000 0.00000
|
|
117 9D-1 0.00000 0.00000 0.14058 0.00000 0.00000
|
|
118 9D+2 -0.24406 -0.41002 0.00000 -0.32420 0.45329
|
|
119 9D-2 0.56675 0.05000 0.00000 -0.83155 -0.41851
|
|
120 4 H 1S 0.06310 -0.04280 0.00000 0.04367 -0.01736
|
|
121 2S -1.56863 -0.80765 0.00000 -2.67751 -1.30682
|
|
122 3S -3.17836 -0.61894 0.00000 -7.43363 1.67776
|
|
123 4S -1.06864 -0.29837 0.00000 -0.26959 0.44038
|
|
124 5PX 0.01106 -0.01967 0.00000 -0.00108 0.00062
|
|
125 5PY -0.00463 0.00848 0.00000 -0.01012 0.00568
|
|
126 5PZ 0.00000 0.00000 -0.00540 0.00000 0.00000
|
|
127 6PX -0.73299 0.28967 0.00000 -1.02135 -0.17207
|
|
128 6PY 0.20691 -0.15683 0.00000 0.54009 -0.03329
|
|
129 6PZ 0.00000 0.00000 0.02326 0.00000 0.00000
|
|
130 7PX -2.49133 1.81296 0.00000 -3.21671 0.29285
|
|
131 7PY 0.28411 -0.31103 0.00000 1.11117 0.67648
|
|
132 7PZ 0.00000 0.00000 2.85143 0.00000 0.00000
|
|
133 8D 0 0.00675 -0.00613 0.00000 0.00633 -0.00815
|
|
134 8D+1 0.00000 0.00000 -0.00315 0.00000 0.00000
|
|
135 8D-1 0.00000 0.00000 -0.00238 0.00000 0.00000
|
|
136 8D+2 -0.02800 0.00823 0.00000 -0.03219 0.00014
|
|
137 8D-2 0.01774 -0.00023 0.00000 0.01388 0.00780
|
|
138 9D 0 0.66103 -0.08718 0.00000 0.50550 0.52514
|
|
139 9D+1 0.00000 0.00000 -0.44559 0.00000 0.00000
|
|
140 9D-1 0.00000 0.00000 0.07065 0.00000 0.00000
|
|
141 9D+2 -0.34362 0.21596 0.00000 0.06302 -0.24640
|
|
142 9D-2 0.07973 -0.69866 0.00000 0.87934 -0.46320
|
|
143 5 H 1S 0.01240 0.05605 -0.05429 -0.00643 0.02389
|
|
144 2S -1.83809 -1.84832 0.53198 -0.19738 -0.13836
|
|
145 3S -2.84470 -6.82093 2.52568 -0.97379 -3.82620
|
|
146 4S 0.27006 -0.58612 0.34248 -0.07740 -0.52885
|
|
147 5PX -0.00081 -0.00258 0.01647 -0.00655 0.01017
|
|
148 5PY 0.00284 0.00158 0.00996 -0.00066 -0.01308
|
|
149 5PZ 0.01204 -0.01239 -0.00005 -0.01151 -0.01017
|
|
150 6PX 0.27226 0.35870 -0.45800 -0.13376 -0.12173
|
|
151 6PY 0.20612 0.31482 -0.51041 -0.07503 0.27254
|
|
152 6PZ 0.28361 0.78370 -0.39987 0.07570 0.25692
|
|
153 7PX 1.78226 0.19202 -2.89631 0.49797 -0.98557
|
|
154 7PY -1.36714 0.57920 0.42891 0.76739 0.04244
|
|
155 7PZ 0.41370 3.78193 -1.30421 0.34341 2.48418
|
|
156 8D 0 -0.00515 -0.01752 0.01145 -0.00545 -0.00681
|
|
157 8D+1 -0.00908 -0.01892 0.01938 0.01345 -0.00107
|
|
158 8D-1 -0.01729 -0.01240 0.01587 0.00471 -0.00811
|
|
159 8D+2 -0.00786 0.00324 -0.00178 -0.00153 -0.01447
|
|
160 8D-2 -0.00319 -0.01398 0.00315 0.00340 0.00706
|
|
161 9D 0 0.04008 -0.25191 0.08914 -0.46703 0.20268
|
|
162 9D+1 -0.45018 -0.40678 -0.03124 -0.05905 -0.01211
|
|
163 9D-1 0.38194 -0.57560 0.74027 0.06612 -0.24874
|
|
164 9D+2 0.15082 -0.26076 -0.10752 0.30136 0.57916
|
|
165 9D-2 -0.10428 0.06457 0.68556 0.14265 -0.29554
|
|
166 6 H 1S 0.01240 0.05605 0.05429 -0.00643 0.02389
|
|
167 2S -1.83809 -1.84832 -0.53198 -0.19738 -0.13836
|
|
168 3S -2.84470 -6.82093 -2.52568 -0.97379 -3.82620
|
|
169 4S 0.27006 -0.58612 -0.34248 -0.07740 -0.52885
|
|
170 5PX -0.00081 -0.00258 -0.01647 -0.00655 0.01017
|
|
171 5PY 0.00284 0.00158 -0.00996 -0.00066 -0.01308
|
|
172 5PZ -0.01204 0.01239 -0.00005 0.01151 0.01017
|
|
173 6PX 0.27226 0.35870 0.45800 -0.13376 -0.12173
|
|
174 6PY 0.20612 0.31482 0.51041 -0.07503 0.27254
|
|
175 6PZ -0.28361 -0.78370 -0.39987 -0.07570 -0.25692
|
|
176 7PX 1.78226 0.19202 2.89631 0.49797 -0.98557
|
|
177 7PY -1.36714 0.57920 -0.42891 0.76739 0.04244
|
|
178 7PZ -0.41370 -3.78193 -1.30421 -0.34341 -2.48418
|
|
179 8D 0 -0.00515 -0.01752 -0.01145 -0.00545 -0.00681
|
|
180 8D+1 0.00908 0.01892 0.01938 -0.01345 0.00107
|
|
181 8D-1 0.01729 0.01240 0.01587 -0.00471 0.00811
|
|
182 8D+2 -0.00786 0.00324 0.00178 -0.00153 -0.01447
|
|
183 8D-2 -0.00319 -0.01398 -0.00315 0.00340 0.00706
|
|
184 9D 0 0.04008 -0.25191 -0.08914 -0.46703 0.20268
|
|
185 9D+1 0.45018 0.40678 -0.03124 0.05905 0.01211
|
|
186 9D-1 -0.38194 0.57560 0.74027 -0.06612 0.24874
|
|
187 9D+2 0.15082 -0.26076 0.10752 0.30136 0.57916
|
|
188 9D-2 -0.10428 0.06457 -0.68556 0.14265 -0.29554
|
|
76 77 78 79 80
|
|
V V V V V
|
|
Eigenvalues -- 1.01411 1.02112 1.02976 1.07271 1.07827
|
|
1 1 C 1S -0.01198 -0.03744 0.00000 0.00000 0.01567
|
|
2 2S -0.00377 -0.01076 0.00000 0.00000 -0.00206
|
|
3 3S -0.02160 -0.01230 0.00000 0.00000 -0.15730
|
|
4 4S -2.55993 -7.38872 0.00000 0.00000 14.10951
|
|
5 5S -1.97850 -0.33284 0.00000 0.00000 -0.51626
|
|
6 6PX -0.08538 -0.08437 0.00000 0.00000 -0.01477
|
|
7 6PY 0.00761 0.01917 0.00000 0.00000 -0.06675
|
|
8 6PZ 0.00000 0.00000 -0.01145 0.13868 0.00000
|
|
9 7PX 0.16317 1.01340 0.00000 0.00000 0.26635
|
|
10 7PY -0.05061 0.16043 0.00000 0.00000 0.03650
|
|
11 7PZ 0.00000 0.00000 -0.12240 -1.56355 0.00000
|
|
12 8PX 1.34982 3.78865 0.00000 0.00000 3.01200
|
|
13 8PY 0.21124 -0.31223 0.00000 0.00000 1.35314
|
|
14 8PZ 0.00000 0.00000 -0.17042 -5.53805 0.00000
|
|
15 9PX -0.15499 -0.27800 0.00000 0.00000 -0.05172
|
|
16 9PY 0.39883 -0.22612 0.00000 0.00000 0.14872
|
|
17 9PZ 0.00000 0.00000 0.32224 0.13227 0.00000
|
|
18 10D 0 0.00914 0.04368 0.00000 0.00000 -0.03136
|
|
19 10D+1 0.00000 0.00000 0.00361 -0.04199 0.00000
|
|
20 10D-1 0.00000 0.00000 -0.02026 0.02973 0.00000
|
|
21 10D+2 -0.02678 0.01114 0.00000 0.00000 -0.04619
|
|
22 10D-2 -0.03347 0.00884 0.00000 0.00000 -0.00408
|
|
23 11D 0 0.12953 0.21971 0.00000 0.00000 1.24357
|
|
24 11D+1 0.00000 0.00000 -0.28894 -1.00447 0.00000
|
|
25 11D-1 0.00000 0.00000 0.21734 -1.77952 0.00000
|
|
26 11D+2 0.17369 -0.90139 0.00000 0.00000 1.29847
|
|
27 11D-2 0.38157 0.73270 0.00000 0.00000 0.48163
|
|
28 12D 0 -0.72536 0.67705 0.00000 0.00000 4.00670
|
|
29 12D+1 0.00000 0.00000 -0.02655 -2.24684 0.00000
|
|
30 12D-1 0.00000 0.00000 2.30286 -1.66312 0.00000
|
|
31 12D+2 1.12037 -2.89562 0.00000 0.00000 1.12795
|
|
32 12D-2 6.20572 -1.30461 0.00000 0.00000 -1.94055
|
|
33 13F 0 0.00000 0.00000 -0.00404 -0.00384 0.00000
|
|
34 13F+1 0.00764 -0.02132 0.00000 0.00000 0.06446
|
|
35 13F-1 0.02285 0.01769 0.00000 0.00000 0.01722
|
|
36 13F+2 0.00000 0.00000 -0.00783 0.00347 0.00000
|
|
37 13F-2 0.00000 0.00000 0.01060 -0.04745 0.00000
|
|
38 13F+3 -0.01924 0.00950 0.00000 0.00000 -0.02092
|
|
39 13F-3 -0.02456 0.00079 0.00000 0.00000 0.01878
|
|
40 14F 0 0.00000 0.00000 0.50341 0.19373 0.00000
|
|
41 14F+1 -0.10629 -0.07106 0.00000 0.00000 0.84690
|
|
42 14F-1 -0.19847 0.39585 0.00000 0.00000 0.34719
|
|
43 14F+2 0.00000 0.00000 -0.26958 -0.10081 0.00000
|
|
44 14F-2 0.00000 0.00000 -0.39174 -0.71411 0.00000
|
|
45 14F+3 0.01429 0.15342 0.00000 0.00000 -0.06352
|
|
46 14F-3 0.16724 -0.33658 0.00000 0.00000 -0.32081
|
|
47 2 S 1S -0.00949 0.01951 0.00000 0.00000 0.00203
|
|
48 2S -0.00068 0.06403 0.00000 0.00000 -0.02229
|
|
49 3S -0.17959 0.47437 0.00000 0.00000 -0.01888
|
|
50 4S -0.12231 0.14058 0.00000 0.00000 -0.06334
|
|
51 5S 5.23557 -2.89340 0.00000 0.00000 -0.20801
|
|
52 6S 4.04905 -2.87484 0.00000 0.00000 1.86787
|
|
53 7PX 0.08304 0.00039 0.00000 0.00000 -0.01850
|
|
54 7PY 0.00412 -0.04055 0.00000 0.00000 0.03997
|
|
55 7PZ 0.00000 0.00000 0.00807 -0.03503 0.00000
|
|
56 8PX 0.13076 0.38103 0.00000 0.00000 -0.19281
|
|
57 8PY -0.22953 0.09680 0.00000 0.00000 0.43696
|
|
58 8PZ 0.00000 0.00000 -0.57504 0.00977 0.00000
|
|
59 9PX -0.11810 -0.01284 0.00000 0.00000 0.03231
|
|
60 9PY -0.00203 0.05677 0.00000 0.00000 -0.11051
|
|
61 9PZ 0.00000 0.00000 0.02447 0.07046 0.00000
|
|
62 10PX 6.82707 -2.03477 0.00000 0.00000 -3.96496
|
|
63 10PY 0.07646 -0.67618 0.00000 0.00000 2.87249
|
|
64 10PZ 0.00000 0.00000 0.82006 -0.58606 0.00000
|
|
65 11PX 0.55415 -0.27904 0.00000 0.00000 -0.14301
|
|
66 11PY 0.27217 -0.29397 0.00000 0.00000 0.72583
|
|
67 11PZ 0.00000 0.00000 -0.15149 -0.21876 0.00000
|
|
68 12D 0 -0.03192 -0.11081 0.00000 0.00000 0.14049
|
|
69 12D+1 0.00000 0.00000 -0.44048 -0.06915 0.00000
|
|
70 12D-1 0.00000 0.00000 0.03631 0.03179 0.00000
|
|
71 12D+2 0.22716 0.31000 0.00000 0.00000 -0.54732
|
|
72 12D-2 -0.15893 -0.02957 0.00000 0.00000 -0.00324
|
|
73 13D 0 0.05449 -0.04326 0.00000 0.00000 0.01024
|
|
74 13D+1 0.00000 0.00000 0.09073 0.00573 0.00000
|
|
75 13D-1 0.00000 0.00000 -0.02099 0.05622 0.00000
|
|
76 13D+2 -0.00011 0.06705 0.00000 0.00000 0.01553
|
|
77 13D-2 0.04244 -0.04670 0.00000 0.00000 -0.01719
|
|
78 14D 0 -0.66973 0.20244 0.00000 0.00000 -0.44641
|
|
79 14D+1 0.00000 0.00000 -0.50106 0.42126 0.00000
|
|
80 14D-1 0.00000 0.00000 0.61060 -0.68648 0.00000
|
|
81 14D+2 0.47330 -0.35857 0.00000 0.00000 -0.95333
|
|
82 14D-2 1.42514 -0.13438 0.00000 0.00000 -0.85523
|
|
83 15F 0 0.00000 0.00000 0.03167 -0.02113 0.00000
|
|
84 15F+1 0.00379 0.01823 0.00000 0.00000 -0.00866
|
|
85 15F-1 0.01069 0.03199 0.00000 0.00000 0.02048
|
|
86 15F+2 0.00000 0.00000 -0.02514 0.00917 0.00000
|
|
87 15F-2 0.00000 0.00000 0.05876 -0.01040 0.00000
|
|
88 15F+3 0.02538 -0.01956 0.00000 0.00000 -0.02850
|
|
89 15F-3 -0.02366 0.05806 0.00000 0.00000 -0.02178
|
|
90 16F 0 0.00000 0.00000 -0.16257 0.52397 0.00000
|
|
91 16F+1 -0.37606 -0.16727 0.00000 0.00000 0.33374
|
|
92 16F-1 -0.15995 -0.11057 0.00000 0.00000 -0.65537
|
|
93 16F+2 0.00000 0.00000 -0.28851 0.40618 0.00000
|
|
94 16F-2 0.00000 0.00000 -0.63773 -0.08404 0.00000
|
|
95 16F+3 -0.20416 0.00085 0.00000 0.00000 -0.18993
|
|
96 16F-3 -0.23860 -0.27621 0.00000 0.00000 -0.44328
|
|
97 3 H 1S 0.02295 -0.00843 0.00000 0.00000 -0.02878
|
|
98 2S -1.04614 -0.64283 0.00000 0.00000 0.80891
|
|
99 3S -5.26511 2.74858 0.00000 0.00000 4.53624
|
|
100 4S -0.32685 0.13075 0.00000 0.00000 0.45492
|
|
101 5PX -0.02320 0.00212 0.00000 0.00000 0.00724
|
|
102 5PY -0.00753 0.00629 0.00000 0.00000 -0.00374
|
|
103 5PZ 0.00000 0.00000 -0.00433 0.00394 0.00000
|
|
104 6PX 0.58373 -0.16788 0.00000 0.00000 -0.28817
|
|
105 6PY -0.06205 -0.00328 0.00000 0.00000 0.10034
|
|
106 6PZ 0.00000 0.00000 -0.01792 -0.04803 0.00000
|
|
107 7PX 1.80173 -0.11623 0.00000 0.00000 -1.62184
|
|
108 7PY 0.89016 -0.10113 0.00000 0.00000 0.70338
|
|
109 7PZ 0.00000 0.00000 1.04132 -0.04272 0.00000
|
|
110 8D 0 0.02251 0.00343 0.00000 0.00000 0.01354
|
|
111 8D+1 0.00000 0.00000 0.02427 -0.00263 0.00000
|
|
112 8D-1 0.00000 0.00000 -0.01967 -0.01948 0.00000
|
|
113 8D+2 0.01393 0.01591 0.00000 0.00000 0.00225
|
|
114 8D-2 0.01537 -0.01766 0.00000 0.00000 -0.01039
|
|
115 9D 0 -0.05396 0.00386 0.00000 0.00000 -0.41074
|
|
116 9D+1 0.00000 0.00000 -0.93858 0.04999 0.00000
|
|
117 9D-1 0.00000 0.00000 0.58986 0.40017 0.00000
|
|
118 9D+2 -0.89430 -0.32038 0.00000 0.00000 0.23685
|
|
119 9D-2 -0.35762 0.48837 0.00000 0.00000 0.10473
|
|
120 4 H 1S -0.03069 -0.03938 0.00000 0.00000 0.01482
|
|
121 2S -0.05149 2.73459 0.00000 0.00000 -1.31839
|
|
122 3S 7.73566 12.30822 0.00000 0.00000 0.85660
|
|
123 4S 0.21913 0.08390 0.00000 0.00000 -0.11881
|
|
124 5PX -0.01423 -0.00386 0.00000 0.00000 -0.01460
|
|
125 5PY -0.00874 0.00134 0.00000 0.00000 -0.01071
|
|
126 5PZ 0.00000 0.00000 -0.01239 0.00931 0.00000
|
|
127 6PX 0.40184 1.04105 0.00000 0.00000 -0.27677
|
|
128 6PY 0.10783 -0.30524 0.00000 0.00000 0.46402
|
|
129 6PZ 0.00000 0.00000 0.20085 -0.06369 0.00000
|
|
130 7PX 3.06920 3.35268 0.00000 0.00000 0.38650
|
|
131 7PY 3.21498 -2.33502 0.00000 0.00000 1.00324
|
|
132 7PZ 0.00000 0.00000 -0.52678 -1.53485 0.00000
|
|
133 8D 0 -0.01061 -0.03670 0.00000 0.00000 0.00419
|
|
134 8D+1 0.00000 0.00000 0.00592 0.01105 0.00000
|
|
135 8D-1 0.00000 0.00000 0.03015 0.00878 0.00000
|
|
136 8D+2 0.01066 0.00865 0.00000 0.00000 -0.01275
|
|
137 8D-2 -0.00015 -0.00748 0.00000 0.00000 0.01571
|
|
138 9D 0 -0.08289 0.15594 0.00000 0.00000 0.10224
|
|
139 9D+1 0.00000 0.00000 -0.22018 -0.16988 0.00000
|
|
140 9D-1 0.00000 0.00000 -1.07382 -0.16863 0.00000
|
|
141 9D+2 0.39705 1.02909 0.00000 0.00000 0.62893
|
|
142 9D-2 0.32060 -0.49908 0.00000 0.00000 0.78145
|
|
143 5 H 1S -0.00083 0.01910 -0.00175 -0.02558 0.00143
|
|
144 2S 0.16966 -0.34433 0.33682 3.18617 -3.35519
|
|
145 3S -3.43925 -1.60480 -1.39410 11.63085 -7.98714
|
|
146 4S -0.06029 0.19517 -0.19278 0.26435 -0.24051
|
|
147 5PX 0.00702 -0.01639 -0.01619 -0.01296 0.00234
|
|
148 5PY 0.01236 0.00221 -0.00074 -0.01278 -0.01628
|
|
149 5PZ -0.00480 0.00615 0.00880 0.00697 0.02406
|
|
150 6PX -0.17111 0.33938 0.39891 -0.39692 0.47973
|
|
151 6PY -0.08009 -0.02239 0.04828 -0.13517 0.78739
|
|
152 6PZ 0.29582 0.10299 -0.27889 -1.32816 0.46347
|
|
153 7PX -0.70072 1.94760 0.15561 -1.02865 2.07304
|
|
154 7PY -0.91774 -0.58766 -1.05327 0.07575 3.09885
|
|
155 7PZ 1.51016 0.24134 0.14435 -3.43363 0.09905
|
|
156 8D 0 -0.01286 -0.01072 0.01353 0.02926 -0.00882
|
|
157 8D+1 -0.00992 -0.00843 -0.01558 0.04050 -0.02356
|
|
158 8D-1 -0.00795 -0.00118 -0.00248 0.00892 -0.01496
|
|
159 8D+2 0.01065 -0.00281 -0.00143 -0.01240 0.01476
|
|
160 8D-2 0.01389 -0.00485 0.01350 0.01535 -0.01842
|
|
161 9D 0 -0.18642 -0.11432 0.01453 0.78934 0.39411
|
|
162 9D+1 0.33450 -0.41341 0.07729 0.43887 0.11789
|
|
163 9D-1 0.22624 0.11199 0.30025 0.21796 -0.81796
|
|
164 9D+2 -0.25307 -0.14154 -0.21654 0.72737 -0.00900
|
|
165 9D-2 -0.49743 0.25333 -0.41775 -0.31147 -0.08774
|
|
166 6 H 1S -0.00083 0.01910 0.00175 0.02558 0.00143
|
|
167 2S 0.16966 -0.34433 -0.33682 -3.18617 -3.35519
|
|
168 3S -3.43925 -1.60480 1.39410 -11.63085 -7.98714
|
|
169 4S -0.06029 0.19517 0.19278 -0.26435 -0.24051
|
|
170 5PX 0.00702 -0.01639 0.01619 0.01296 0.00234
|
|
171 5PY 0.01236 0.00221 0.00074 0.01278 -0.01628
|
|
172 5PZ 0.00480 -0.00615 0.00880 0.00697 -0.02406
|
|
173 6PX -0.17111 0.33938 -0.39891 0.39692 0.47973
|
|
174 6PY -0.08009 -0.02239 -0.04828 0.13517 0.78739
|
|
175 6PZ -0.29582 -0.10299 -0.27889 -1.32816 -0.46347
|
|
176 7PX -0.70072 1.94760 -0.15561 1.02865 2.07304
|
|
177 7PY -0.91774 -0.58766 1.05327 -0.07575 3.09885
|
|
178 7PZ -1.51016 -0.24134 0.14435 -3.43363 -0.09905
|
|
179 8D 0 -0.01286 -0.01072 -0.01353 -0.02926 -0.00882
|
|
180 8D+1 0.00992 0.00843 -0.01558 0.04050 0.02356
|
|
181 8D-1 0.00795 0.00118 -0.00248 0.00892 0.01496
|
|
182 8D+2 0.01065 -0.00281 0.00143 0.01240 0.01476
|
|
183 8D-2 0.01389 -0.00485 -0.01350 -0.01535 -0.01842
|
|
184 9D 0 -0.18642 -0.11432 -0.01453 -0.78934 0.39411
|
|
185 9D+1 -0.33450 0.41341 0.07729 0.43887 -0.11789
|
|
186 9D-1 -0.22624 -0.11199 0.30025 0.21796 0.81796
|
|
187 9D+2 -0.25307 -0.14154 0.21654 -0.72737 -0.00900
|
|
188 9D-2 -0.49743 0.25333 0.41775 0.31147 -0.08774
|
|
81 82 83 84 85
|
|
V V V V V
|
|
Eigenvalues -- 1.08682 1.09526 1.10802 1.12087 1.16776
|
|
1 1 C 1S 0.00000 0.00220 0.00000 0.01322 0.00000
|
|
2 2S 0.00000 0.05200 0.00000 -0.04327 0.00000
|
|
3 3S 0.00000 0.13407 0.00000 -0.07840 0.00000
|
|
4 4S 0.00000 -4.98122 0.00000 5.61203 0.00000
|
|
5 5S 0.00000 -0.12947 0.00000 -0.85069 0.00000
|
|
6 6PX 0.00000 -0.10168 0.00000 -0.11056 0.00000
|
|
7 6PY 0.00000 -0.01317 0.00000 0.00904 0.00000
|
|
8 6PZ 0.12905 0.00000 -0.01764 0.00000 0.02230
|
|
9 7PX 0.00000 0.92140 0.00000 1.42941 0.00000
|
|
10 7PY 0.00000 0.01943 0.00000 0.20543 0.00000
|
|
11 7PZ -1.75329 0.00000 -0.18781 0.00000 -0.05513
|
|
12 8PX 0.00000 8.15306 0.00000 6.82363 0.00000
|
|
13 8PY 0.00000 0.98790 0.00000 0.22212 0.00000
|
|
14 8PZ -9.01175 0.00000 1.38534 0.00000 1.49029
|
|
15 9PX 0.00000 -0.48228 0.00000 -0.98037 0.00000
|
|
16 9PY 0.00000 0.03042 0.00000 -0.30175 0.00000
|
|
17 9PZ 1.06018 0.00000 0.42125 0.00000 0.40982
|
|
18 10D 0 0.00000 0.00389 0.00000 -0.03249 0.00000
|
|
19 10D+1 0.03612 0.00000 0.01945 0.00000 -0.01851
|
|
20 10D-1 -0.04642 0.00000 -0.04773 0.00000 0.00236
|
|
21 10D+2 0.00000 0.03357 0.00000 -0.02042 0.00000
|
|
22 10D-2 0.00000 -0.00686 0.00000 0.03629 0.00000
|
|
23 11D 0 0.00000 1.12726 0.00000 2.48530 0.00000
|
|
24 11D+1 -3.06630 0.00000 -0.32573 0.00000 0.28325
|
|
25 11D-1 -1.08335 0.00000 0.32148 0.00000 0.17440
|
|
26 11D+2 0.00000 -1.67716 0.00000 -0.53932 0.00000
|
|
27 11D-2 0.00000 0.89564 0.00000 0.65573 0.00000
|
|
28 12D 0 0.00000 3.37301 0.00000 5.10814 0.00000
|
|
29 12D+1 -5.92693 0.00000 -3.04648 0.00000 0.64653
|
|
30 12D-1 -0.42880 0.00000 6.17588 0.00000 -0.15217
|
|
31 12D+2 0.00000 -2.87482 0.00000 -2.10891 0.00000
|
|
32 12D-2 0.00000 0.20980 0.00000 -1.16146 0.00000
|
|
33 13F 0 -0.02484 0.00000 -0.01260 0.00000 0.00516
|
|
34 13F+1 0.00000 -0.04043 0.00000 0.02784 0.00000
|
|
35 13F-1 0.00000 0.02068 0.00000 0.06794 0.00000
|
|
36 13F+2 -0.01731 0.00000 -0.01945 0.00000 0.00811
|
|
37 13F-2 -0.09386 0.00000 0.01458 0.00000 0.00886
|
|
38 13F+3 0.00000 0.02841 0.00000 0.03562 0.00000
|
|
39 13F-3 0.00000 -0.04559 0.00000 -0.03129 0.00000
|
|
40 14F 0 -0.05280 0.00000 -0.13343 0.00000 -0.31883
|
|
41 14F+1 0.00000 -0.48267 0.00000 0.36863 0.00000
|
|
42 14F-1 0.00000 0.71100 0.00000 0.53345 0.00000
|
|
43 14F+2 0.12798 0.00000 -0.01194 0.00000 -0.30747
|
|
44 14F-2 -0.91192 0.00000 -0.28908 0.00000 0.21164
|
|
45 14F+3 0.00000 0.09991 0.00000 -0.20946 0.00000
|
|
46 14F-3 0.00000 -0.43882 0.00000 -0.55784 0.00000
|
|
47 2 S 1S 0.00000 0.00232 0.00000 0.00610 0.00000
|
|
48 2S 0.00000 -0.04957 0.00000 0.03083 0.00000
|
|
49 3S 0.00000 -0.04436 0.00000 0.16090 0.00000
|
|
50 4S 0.00000 0.07616 0.00000 -0.01605 0.00000
|
|
51 5S 0.00000 -3.19117 0.00000 1.14573 0.00000
|
|
52 6S 0.00000 -1.58158 0.00000 1.05423 0.00000
|
|
53 7PX 0.00000 -0.01341 0.00000 0.01392 0.00000
|
|
54 7PY 0.00000 -0.00882 0.00000 -0.01292 0.00000
|
|
55 7PZ -0.01872 0.00000 0.03650 0.00000 0.00301
|
|
56 8PX 0.00000 -0.71102 0.00000 0.31315 0.00000
|
|
57 8PY 0.00000 -0.12562 0.00000 0.02999 0.00000
|
|
58 8PZ 0.15708 0.00000 -0.30565 0.00000 -0.59897
|
|
59 9PX 0.00000 0.05205 0.00000 -0.02548 0.00000
|
|
60 9PY 0.00000 0.01720 0.00000 0.01069 0.00000
|
|
61 9PZ 0.01911 0.00000 -0.04535 0.00000 0.03387
|
|
62 10PX 0.00000 -1.70920 0.00000 -1.66078 0.00000
|
|
63 10PY 0.00000 -0.10937 0.00000 0.39032 0.00000
|
|
64 10PZ 0.12171 0.00000 4.50086 0.00000 -1.11550
|
|
65 11PX 0.00000 0.18352 0.00000 0.42351 0.00000
|
|
66 11PY 0.00000 -0.10710 0.00000 -0.01907 0.00000
|
|
67 11PZ -0.47516 0.00000 0.21933 0.00000 -0.12415
|
|
68 12D 0 0.00000 0.48512 0.00000 -0.27227 0.00000
|
|
69 12D+1 -0.12678 0.00000 0.10401 0.00000 -0.44156
|
|
70 12D-1 0.30114 0.00000 -0.00673 0.00000 -0.09327
|
|
71 12D+2 0.00000 -0.13191 0.00000 -0.47446 0.00000
|
|
72 12D-2 0.00000 -0.30721 0.00000 -0.30654 0.00000
|
|
73 13D 0 0.00000 0.03519 0.00000 -0.00210 0.00000
|
|
74 13D+1 -0.03692 0.00000 0.01299 0.00000 0.06246
|
|
75 13D-1 0.04820 0.00000 -0.02058 0.00000 -0.01615
|
|
76 13D+2 0.00000 0.02582 0.00000 -0.02780 0.00000
|
|
77 13D-2 0.00000 -0.02490 0.00000 0.00680 0.00000
|
|
78 14D 0 0.00000 0.27028 0.00000 -0.61495 0.00000
|
|
79 14D+1 0.78994 0.00000 0.50695 0.00000 0.31824
|
|
80 14D-1 -0.26159 0.00000 1.97086 0.00000 -0.38191
|
|
81 14D+2 0.00000 -0.67776 0.00000 -0.28696 0.00000
|
|
82 14D-2 0.00000 0.33462 0.00000 -1.28836 0.00000
|
|
83 15F 0 0.03073 0.00000 -0.00577 0.00000 0.04300
|
|
84 15F+1 0.00000 -0.04764 0.00000 0.04176 0.00000
|
|
85 15F-1 0.00000 -0.00174 0.00000 -0.02197 0.00000
|
|
86 15F+2 -0.00694 0.00000 0.03790 0.00000 -0.08711
|
|
87 15F-2 -0.01104 0.00000 -0.05314 0.00000 -0.07738
|
|
88 15F+3 0.00000 -0.01541 0.00000 -0.02359 0.00000
|
|
89 15F-3 0.00000 0.03923 0.00000 -0.02856 0.00000
|
|
90 16F 0 -0.36963 0.00000 -0.22644 0.00000 -0.06360
|
|
91 16F+1 0.00000 0.86363 0.00000 -0.44461 0.00000
|
|
92 16F-1 0.00000 0.20338 0.00000 -0.04931 0.00000
|
|
93 16F+2 0.12794 0.00000 -0.56087 0.00000 0.94896
|
|
94 16F-2 0.26582 0.00000 0.43004 0.00000 0.96858
|
|
95 16F+3 0.00000 -0.41665 0.00000 0.23872 0.00000
|
|
96 16F-3 0.00000 -0.11698 0.00000 -0.28168 0.00000
|
|
97 3 H 1S 0.00000 -0.07261 0.00000 0.01125 0.00000
|
|
98 2S 0.00000 1.35489 0.00000 -0.37525 0.00000
|
|
99 3S 0.00000 3.44277 0.00000 0.70787 0.00000
|
|
100 4S 0.00000 0.29339 0.00000 -0.26980 0.00000
|
|
101 5PX 0.00000 0.00478 0.00000 -0.00919 0.00000
|
|
102 5PY 0.00000 -0.00402 0.00000 -0.00173 0.00000
|
|
103 5PZ 0.01018 0.00000 -0.00180 0.00000 0.01222
|
|
104 6PX 0.00000 -0.25181 0.00000 0.06047 0.00000
|
|
105 6PY 0.00000 0.05998 0.00000 0.00522 0.00000
|
|
106 6PZ -0.14013 0.00000 0.08635 0.00000 -0.13693
|
|
107 7PX 0.00000 -0.94712 0.00000 0.31914 0.00000
|
|
108 7PY 0.00000 0.66034 0.00000 1.54335 0.00000
|
|
109 7PZ -0.47967 0.00000 -0.36080 0.00000 0.56939
|
|
110 8D 0 0.00000 0.02913 0.00000 -0.03183 0.00000
|
|
111 8D+1 0.00232 0.00000 -0.01567 0.00000 0.03266
|
|
112 8D-1 0.00931 0.00000 -0.02027 0.00000 0.01244
|
|
113 8D+2 0.00000 -0.00048 0.00000 0.00453 0.00000
|
|
114 8D-2 0.00000 0.00368 0.00000 0.00754 0.00000
|
|
115 9D 0 0.00000 -0.81931 0.00000 0.73360 0.00000
|
|
116 9D+1 0.01861 0.00000 0.38565 0.00000 -1.07520
|
|
117 9D-1 -0.20436 0.00000 0.32765 0.00000 -0.38173
|
|
118 9D+2 0.00000 0.24227 0.00000 -0.14909 0.00000
|
|
119 9D-2 0.00000 -0.21640 0.00000 -0.38505 0.00000
|
|
120 4 H 1S 0.00000 -0.01265 0.00000 -0.02373 0.00000
|
|
121 2S 0.00000 4.81470 0.00000 3.24526 0.00000
|
|
122 3S 0.00000 20.32480 0.00000 14.78706 0.00000
|
|
123 4S 0.00000 0.08308 0.00000 -0.38874 0.00000
|
|
124 5PX 0.00000 0.02179 0.00000 0.00270 0.00000
|
|
125 5PY 0.00000 -0.01601 0.00000 -0.01959 0.00000
|
|
126 5PZ 0.02910 0.00000 0.02934 0.00000 -0.00703
|
|
127 6PX 0.00000 1.65306 0.00000 1.39023 0.00000
|
|
128 6PY 0.00000 -0.29380 0.00000 0.00272 0.00000
|
|
129 6PZ -0.91661 0.00000 -0.61199 0.00000 0.20599
|
|
130 7PX 0.00000 4.68715 0.00000 3.69324 0.00000
|
|
131 7PY 0.00000 -1.88082 0.00000 -0.90477 0.00000
|
|
132 7PZ -4.81828 0.00000 -2.87092 0.00000 0.47244
|
|
133 8D 0 0.00000 -0.02280 0.00000 -0.00966 0.00000
|
|
134 8D+1 -0.03005 0.00000 -0.00873 0.00000 0.00350
|
|
135 8D-1 0.00026 0.00000 0.01925 0.00000 0.00756
|
|
136 8D+2 0.00000 0.05202 0.00000 0.03611 0.00000
|
|
137 8D-2 0.00000 -0.04260 0.00000 -0.02773 0.00000
|
|
138 9D 0 0.00000 -0.48297 0.00000 -0.91457 0.00000
|
|
139 9D+1 -1.34387 0.00000 -0.56195 0.00000 0.26670
|
|
140 9D-1 0.53037 0.00000 -0.62288 0.00000 -0.26800
|
|
141 9D+2 0.00000 0.09820 0.00000 0.72019 0.00000
|
|
142 9D-2 0.00000 0.30567 0.00000 0.23291 0.00000
|
|
143 5 H 1S -0.04006 0.00464 0.00197 0.01153 -0.02154
|
|
144 2S 4.52588 -0.62265 0.49741 -3.28675 -0.61546
|
|
145 3S 19.82954 -8.42236 -3.60889 -9.99573 -0.86738
|
|
146 4S -0.21511 -0.03174 -0.45740 0.34640 -0.27126
|
|
147 5PX -0.01784 -0.01598 -0.01527 -0.01454 0.00347
|
|
148 5PY -0.01435 0.01300 0.02045 -0.00025 0.01119
|
|
149 5PZ -0.00556 -0.00446 0.00172 0.02265 -0.00278
|
|
150 6PX -0.41673 0.57242 0.29408 1.04364 -0.06022
|
|
151 6PY -0.54045 -0.27122 -0.45419 0.59014 -0.21460
|
|
152 6PZ -1.68033 0.20666 -0.01826 0.58175 0.23831
|
|
153 7PX -0.01708 3.66225 2.12288 4.31636 -0.28298
|
|
154 7PY -2.34946 0.37541 -2.36177 2.47566 0.07349
|
|
155 7PZ -5.65853 0.68056 0.40198 0.09940 -0.14334
|
|
156 8D 0 0.03987 0.00182 -0.00772 -0.00672 -0.01161
|
|
157 8D+1 0.02119 -0.00177 0.00202 -0.02797 0.00428
|
|
158 8D-1 0.04598 -0.00001 0.00571 -0.02889 0.00947
|
|
159 8D+2 0.00633 -0.01527 -0.01867 -0.01449 -0.00370
|
|
160 8D-2 0.01908 -0.00520 -0.00938 -0.01695 -0.01626
|
|
161 9D 0 0.85838 0.02884 0.24054 0.64973 0.00616
|
|
162 9D+1 0.39137 -0.82293 -0.24766 -0.86079 -0.12562
|
|
163 9D-1 0.25101 0.47874 0.28612 -0.17374 -0.01507
|
|
164 9D+2 -0.67944 -0.33132 -0.12066 0.17198 0.16353
|
|
165 9D-2 -0.17987 -0.02954 0.53518 -0.56437 0.56047
|
|
166 6 H 1S 0.04006 0.00464 -0.00197 0.01153 0.02154
|
|
167 2S -4.52588 -0.62265 -0.49741 -3.28675 0.61546
|
|
168 3S -19.82954 -8.42236 3.60889 -9.99573 0.86738
|
|
169 4S 0.21511 -0.03174 0.45740 0.34640 0.27126
|
|
170 5PX 0.01784 -0.01598 0.01527 -0.01454 -0.00347
|
|
171 5PY 0.01435 0.01300 -0.02045 -0.00025 -0.01119
|
|
172 5PZ -0.00556 0.00446 0.00172 -0.02265 -0.00278
|
|
173 6PX 0.41673 0.57242 -0.29408 1.04364 0.06022
|
|
174 6PY 0.54045 -0.27122 0.45419 0.59014 0.21460
|
|
175 6PZ -1.68033 -0.20666 -0.01826 -0.58175 0.23831
|
|
176 7PX 0.01708 3.66225 -2.12288 4.31636 0.28298
|
|
177 7PY 2.34946 0.37541 2.36177 2.47566 -0.07349
|
|
178 7PZ -5.65853 -0.68056 0.40198 -0.09940 -0.14334
|
|
179 8D 0 -0.03987 0.00182 0.00772 -0.00672 0.01161
|
|
180 8D+1 0.02119 0.00177 0.00202 0.02797 0.00428
|
|
181 8D-1 0.04598 0.00001 0.00571 0.02889 0.00947
|
|
182 8D+2 -0.00633 -0.01527 0.01867 -0.01449 0.00370
|
|
183 8D-2 -0.01908 -0.00520 0.00938 -0.01695 0.01626
|
|
184 9D 0 -0.85838 0.02884 -0.24054 0.64973 -0.00616
|
|
185 9D+1 0.39137 0.82293 -0.24766 0.86079 -0.12562
|
|
186 9D-1 0.25101 -0.47874 0.28612 0.17374 -0.01507
|
|
187 9D+2 0.67944 -0.33132 0.12066 0.17198 -0.16353
|
|
188 9D-2 0.17987 -0.02954 -0.53518 -0.56437 -0.56047
|
|
86 87 88 89 90
|
|
V V V V V
|
|
Eigenvalues -- 1.17183 1.19794 1.21386 1.25180 1.26631
|
|
1 1 C 1S -0.00057 -0.00326 0.00000 -0.00393 0.00000
|
|
2 2S -0.05928 -0.06166 0.00000 0.02613 0.00000
|
|
3 3S -0.05648 -0.17458 0.00000 0.00885 0.00000
|
|
4 4S -0.46792 6.13287 0.00000 0.27857 0.00000
|
|
5 5S -0.17463 0.96792 0.00000 -0.02079 0.00000
|
|
6 6PX 0.05365 0.05906 0.00000 0.00360 0.00000
|
|
7 6PY 0.02949 -0.01619 0.00000 -0.02038 0.00000
|
|
8 6PZ 0.00000 0.00000 -0.02189 0.00000 -0.01551
|
|
9 7PX -1.15976 -0.61043 0.00000 -0.11188 0.00000
|
|
10 7PY 0.37755 -0.03368 0.00000 -0.54782 0.00000
|
|
11 7PZ 0.00000 0.00000 0.82373 0.00000 0.66453
|
|
12 8PX 1.26623 2.02461 0.00000 5.40258 0.00000
|
|
13 8PY -0.16814 1.32796 0.00000 2.38993 0.00000
|
|
14 8PZ 0.00000 0.00000 -4.41866 0.00000 -1.83985
|
|
15 9PX -0.58637 0.80429 0.00000 0.15354 0.00000
|
|
16 9PY -0.02862 -0.31298 0.00000 -0.18764 0.00000
|
|
17 9PZ 0.00000 0.00000 0.16425 0.00000 -0.10587
|
|
18 10D 0 -0.04781 -0.01234 0.00000 -0.06479 0.00000
|
|
19 10D+1 0.00000 0.00000 0.08351 0.00000 -0.00067
|
|
20 10D-1 0.00000 0.00000 0.01079 0.00000 0.04432
|
|
21 10D+2 0.05035 -0.02459 0.00000 -0.00641 0.00000
|
|
22 10D-2 0.05426 -0.04566 0.00000 -0.01974 0.00000
|
|
23 11D 0 0.29321 0.03186 0.00000 1.50853 0.00000
|
|
24 11D+1 0.00000 0.00000 -1.46107 0.00000 0.40890
|
|
25 11D-1 0.00000 0.00000 -0.04553 0.00000 -0.30232
|
|
26 11D+2 -0.24850 1.18680 0.00000 -0.35618 0.00000
|
|
27 11D-2 -1.27797 0.38585 0.00000 0.49076 0.00000
|
|
28 12D 0 0.31001 -0.42808 0.00000 -1.33552 0.00000
|
|
29 12D+1 0.00000 0.00000 1.34857 0.00000 -2.50907
|
|
30 12D-1 0.00000 0.00000 0.26697 0.00000 3.60098
|
|
31 12D+2 -0.20557 0.13021 0.00000 0.63131 0.00000
|
|
32 12D-2 -0.55619 1.08021 0.00000 0.24840 0.00000
|
|
33 13F 0 0.00000 0.00000 0.01026 0.00000 0.00936
|
|
34 13F+1 0.02535 0.04995 0.00000 -0.02911 0.00000
|
|
35 13F-1 -0.00168 0.01474 0.00000 -0.00306 0.00000
|
|
36 13F+2 0.00000 0.00000 0.01474 0.00000 0.00439
|
|
37 13F-2 0.00000 0.00000 0.00988 0.00000 0.02342
|
|
38 13F+3 -0.01982 -0.03808 0.00000 0.00404 0.00000
|
|
39 13F-3 0.02555 0.05183 0.00000 -0.01561 0.00000
|
|
40 14F 0 0.00000 0.00000 -0.25372 0.00000 -0.00729
|
|
41 14F+1 -0.30760 0.63471 0.00000 0.65925 0.00000
|
|
42 14F-1 0.13386 -0.03408 0.00000 0.48146 0.00000
|
|
43 14F+2 0.00000 0.00000 -0.47449 0.00000 0.35923
|
|
44 14F-2 0.00000 0.00000 -0.83867 0.00000 -0.35461
|
|
45 14F+3 0.20838 -0.35651 0.00000 0.35209 0.00000
|
|
46 14F-3 0.10484 -0.51457 0.00000 -0.61054 0.00000
|
|
47 2 S 1S 0.00584 0.00420 0.00000 -0.00853 0.00000
|
|
48 2S 0.01369 0.05774 0.00000 -0.01218 0.00000
|
|
49 3S 0.12589 0.18748 0.00000 -0.17918 0.00000
|
|
50 4S 0.00563 0.00404 0.00000 -0.06754 0.00000
|
|
51 5S 0.59947 0.27716 0.00000 1.39286 0.00000
|
|
52 6S 0.29085 -0.42183 0.00000 -0.17736 0.00000
|
|
53 7PX -0.00217 0.02738 0.00000 0.02520 0.00000
|
|
54 7PY -0.01093 0.00608 0.00000 -0.00002 0.00000
|
|
55 7PZ 0.00000 0.00000 -0.02324 0.00000 -0.03301
|
|
56 8PX 0.26988 0.01563 0.00000 0.41360 0.00000
|
|
57 8PY -0.32809 0.54839 0.00000 0.27929 0.00000
|
|
58 8PZ 0.00000 0.00000 -0.01635 0.00000 0.52015
|
|
59 9PX 0.00334 -0.02601 0.00000 -0.06093 0.00000
|
|
60 9PY 0.03695 -0.02442 0.00000 -0.01761 0.00000
|
|
61 9PZ 0.00000 0.00000 0.04096 0.00000 0.02404
|
|
62 10PX 0.82622 -0.81481 0.00000 -2.88889 0.00000
|
|
63 10PY -0.84719 2.89137 0.00000 3.11831 0.00000
|
|
64 10PZ 0.00000 0.00000 0.53969 0.00000 1.64962
|
|
65 11PX 0.27438 -0.26923 0.00000 -0.24446 0.00000
|
|
66 11PY -0.18086 0.16863 0.00000 0.14631 0.00000
|
|
67 11PZ 0.00000 0.00000 -0.05145 0.00000 -0.02429
|
|
68 12D 0 0.02848 -0.16362 0.00000 -0.07375 0.00000
|
|
69 12D+1 0.00000 0.00000 -0.08670 0.00000 0.18111
|
|
70 12D-1 0.00000 0.00000 0.15218 0.00000 0.35521
|
|
71 12D+2 0.37394 -0.38200 0.00000 -0.59158 0.00000
|
|
72 12D-2 -0.46572 0.28013 0.00000 0.16073 0.00000
|
|
73 13D 0 0.02211 -0.01954 0.00000 0.01172 0.00000
|
|
74 13D+1 0.00000 0.00000 -0.02802 0.00000 0.03601
|
|
75 13D-1 0.00000 0.00000 0.03046 0.00000 -0.03923
|
|
76 13D+2 -0.00267 -0.04007 0.00000 -0.04041 0.00000
|
|
77 13D-2 0.06378 -0.03476 0.00000 -0.07828 0.00000
|
|
78 14D 0 0.15221 0.21165 0.00000 0.56287 0.00000
|
|
79 14D+1 0.00000 0.00000 -0.47415 0.00000 -0.01100
|
|
80 14D-1 0.00000 0.00000 0.10095 0.00000 -0.09863
|
|
81 14D+2 0.07824 -1.08272 0.00000 -1.38866 0.00000
|
|
82 14D-2 -0.46594 0.90432 0.00000 -0.19703 0.00000
|
|
83 15F 0 0.00000 0.00000 0.01110 0.00000 -0.04079
|
|
84 15F+1 -0.01890 -0.00358 0.00000 -0.02216 0.00000
|
|
85 15F-1 -0.00491 -0.05758 0.00000 -0.08153 0.00000
|
|
86 15F+2 0.00000 0.00000 0.01424 0.00000 -0.00987
|
|
87 15F-2 0.00000 0.00000 0.04194 0.00000 -0.00406
|
|
88 15F+3 -0.02380 0.00677 0.00000 -0.02886 0.00000
|
|
89 15F-3 0.07826 0.02860 0.00000 -0.05126 0.00000
|
|
90 16F 0 0.00000 0.00000 0.06366 0.00000 0.35639
|
|
91 16F+1 0.18942 0.01692 0.00000 0.16752 0.00000
|
|
92 16F-1 0.16567 0.31218 0.00000 0.68119 0.00000
|
|
93 16F+2 0.00000 0.00000 0.15267 0.00000 0.24813
|
|
94 16F-2 0.00000 0.00000 -0.53947 0.00000 -0.30318
|
|
95 16F+3 0.99318 -0.30049 0.00000 -0.33297 0.00000
|
|
96 16F-3 -0.88971 -0.60545 0.00000 0.12329 0.00000
|
|
97 3 H 1S 0.00133 -0.00567 0.00000 -0.00020 0.00000
|
|
98 2S -1.45599 0.19150 0.00000 1.09492 0.00000
|
|
99 3S -0.56612 2.49383 0.00000 2.13861 0.00000
|
|
100 4S -0.20617 -0.05685 0.00000 -0.01659 0.00000
|
|
101 5PX -0.00573 -0.00840 0.00000 -0.00537 0.00000
|
|
102 5PY -0.01245 0.00563 0.00000 0.00252 0.00000
|
|
103 5PZ 0.00000 0.00000 0.00493 0.00000 0.00649
|
|
104 6PX 0.21400 0.00795 0.00000 0.02946 0.00000
|
|
105 6PY 0.18083 0.05913 0.00000 -0.10928 0.00000
|
|
106 6PZ 0.00000 0.00000 -0.09688 0.00000 -0.00593
|
|
107 7PX 0.35323 -0.38683 0.00000 -0.20588 0.00000
|
|
108 7PY 0.89584 -0.95667 0.00000 -0.71599 0.00000
|
|
109 7PZ 0.00000 0.00000 -0.19439 0.00000 0.01539
|
|
110 8D 0 0.01276 -0.00691 0.00000 -0.01309 0.00000
|
|
111 8D+1 0.00000 0.00000 0.00042 0.00000 -0.01266
|
|
112 8D-1 0.00000 0.00000 0.01574 0.00000 -0.02674
|
|
113 8D+2 0.01737 0.00084 0.00000 -0.01637 0.00000
|
|
114 8D-2 -0.01214 -0.03317 0.00000 0.00341 0.00000
|
|
115 9D 0 -0.45795 0.27001 0.00000 0.51164 0.00000
|
|
116 9D+1 0.00000 0.00000 0.03554 0.00000 0.36077
|
|
117 9D-1 0.00000 0.00000 -0.27932 0.00000 0.60365
|
|
118 9D+2 -0.73381 -0.02035 0.00000 0.30881 0.00000
|
|
119 9D-2 -0.07469 0.97617 0.00000 0.14642 0.00000
|
|
120 4 H 1S 0.03411 0.03512 0.00000 0.04750 0.00000
|
|
121 2S -0.97505 -2.08351 0.00000 2.16854 0.00000
|
|
122 3S 3.66104 -0.83757 0.00000 3.97985 0.00000
|
|
123 4S -0.45728 0.43648 0.00000 -0.00431 0.00000
|
|
124 5PX -0.00138 -0.02037 0.00000 0.01090 0.00000
|
|
125 5PY 0.01754 -0.03208 0.00000 -0.00799 0.00000
|
|
126 5PZ 0.00000 0.00000 0.00110 0.00000 -0.00018
|
|
127 6PX -0.76361 -0.69559 0.00000 0.66969 0.00000
|
|
128 6PY -0.41818 1.22240 0.00000 0.05088 0.00000
|
|
129 6PZ 0.00000 0.00000 -0.38240 0.00000 -0.06325
|
|
130 7PX 0.58768 -0.63586 0.00000 1.27680 0.00000
|
|
131 7PY -1.48354 1.31007 0.00000 0.47090 0.00000
|
|
132 7PZ 0.00000 0.00000 -0.05574 0.00000 -1.74530
|
|
133 8D 0 0.01657 0.04697 0.00000 -0.06137 0.00000
|
|
134 8D+1 0.00000 0.00000 -0.00542 0.00000 0.00574
|
|
135 8D-1 0.00000 0.00000 0.01525 0.00000 0.03777
|
|
136 8D+2 -0.03712 -0.01762 0.00000 0.00700 0.00000
|
|
137 8D-2 0.00009 0.02617 0.00000 0.00665 0.00000
|
|
138 9D 0 0.17784 0.02792 0.00000 1.54011 0.00000
|
|
139 9D+1 0.00000 0.00000 -1.44397 0.00000 -0.04076
|
|
140 9D-1 0.00000 0.00000 -0.43231 0.00000 -0.90195
|
|
141 9D+2 -1.18672 0.25420 0.00000 0.43566 0.00000
|
|
142 9D-2 -0.32612 1.33297 0.00000 0.18865 0.00000
|
|
143 5 H 1S -0.01297 -0.00786 0.05583 -0.02846 0.06067
|
|
144 2S 0.68401 -1.27733 1.22315 -1.60289 -0.02484
|
|
145 3S -1.42892 -3.01022 4.56023 -3.62040 2.27782
|
|
146 4S 0.31718 -0.25434 -0.15745 0.03093 -0.01806
|
|
147 5PX -0.00197 0.02124 -0.00893 0.00142 0.01076
|
|
148 5PY 0.00134 0.00398 0.00402 -0.00404 -0.00821
|
|
149 5PZ 0.00725 0.00577 -0.00552 0.00312 0.00812
|
|
150 6PX 0.15007 -0.12318 0.25516 0.34302 -0.13882
|
|
151 6PY 0.02069 0.18072 -0.28300 0.32891 0.39227
|
|
152 6PZ -0.32933 0.34291 -0.25582 0.06450 0.06371
|
|
153 7PX 0.78385 -0.73953 -0.52969 0.32593 0.76509
|
|
154 7PY 0.62702 0.29150 -0.55762 0.29099 -1.34307
|
|
155 7PZ -0.25073 0.79092 -1.10838 1.07288 -0.31293
|
|
156 8D 0 0.00543 -0.01519 0.00179 0.00495 -0.00908
|
|
157 8D+1 -0.01045 -0.00226 0.01443 -0.00778 -0.01552
|
|
158 8D-1 0.00045 -0.02003 0.00253 -0.00151 0.02596
|
|
159 8D+2 0.00129 -0.01663 -0.02757 0.01198 0.02620
|
|
160 8D-2 -0.00592 -0.01922 -0.00874 0.00282 -0.01346
|
|
161 9D 0 0.92681 0.14341 0.06957 1.02424 0.13199
|
|
162 9D+1 0.01767 0.23591 -1.41085 -0.10808 0.28147
|
|
163 9D-1 -0.00589 0.19914 -0.21784 -0.00379 -1.42994
|
|
164 9D+2 -0.41098 0.86633 0.09887 -0.27687 -0.21898
|
|
165 9D-2 0.05350 0.48368 -0.06258 -0.18943 0.07190
|
|
166 6 H 1S -0.01297 -0.00786 -0.05583 -0.02846 -0.06067
|
|
167 2S 0.68401 -1.27733 -1.22315 -1.60289 0.02484
|
|
168 3S -1.42892 -3.01022 -4.56023 -3.62040 -2.27782
|
|
169 4S 0.31718 -0.25434 0.15745 0.03093 0.01806
|
|
170 5PX -0.00197 0.02124 0.00893 0.00142 -0.01076
|
|
171 5PY 0.00134 0.00398 -0.00402 -0.00404 0.00821
|
|
172 5PZ -0.00725 -0.00577 -0.00552 -0.00312 0.00812
|
|
173 6PX 0.15007 -0.12318 -0.25516 0.34302 0.13882
|
|
174 6PY 0.02069 0.18072 0.28300 0.32891 -0.39227
|
|
175 6PZ 0.32933 -0.34291 -0.25582 -0.06450 0.06371
|
|
176 7PX 0.78385 -0.73953 0.52969 0.32593 -0.76509
|
|
177 7PY 0.62702 0.29150 0.55762 0.29099 1.34307
|
|
178 7PZ 0.25073 -0.79092 -1.10838 -1.07288 -0.31293
|
|
179 8D 0 0.00543 -0.01519 -0.00179 0.00495 0.00908
|
|
180 8D+1 0.01045 0.00226 0.01443 0.00778 -0.01552
|
|
181 8D-1 -0.00045 0.02003 0.00253 0.00151 0.02596
|
|
182 8D+2 0.00129 -0.01663 0.02757 0.01198 -0.02620
|
|
183 8D-2 -0.00592 -0.01922 0.00874 0.00282 0.01346
|
|
184 9D 0 0.92681 0.14341 -0.06957 1.02424 -0.13199
|
|
185 9D+1 -0.01767 -0.23591 -1.41085 0.10808 0.28147
|
|
186 9D-1 0.00589 -0.19914 -0.21784 0.00379 -1.42994
|
|
187 9D+2 -0.41098 0.86633 -0.09887 -0.27687 0.21898
|
|
188 9D-2 0.05350 0.48368 0.06258 -0.18943 -0.07190
|
|
91 92 93 94 95
|
|
V V V V V
|
|
Eigenvalues -- 1.29579 1.31202 1.33988 1.34827 1.38677
|
|
1 1 C 1S 0.00000 -0.02572 -0.06169 0.00077 0.00000
|
|
2 2S 0.00000 -0.10837 -0.02657 0.02509 0.00000
|
|
3 3S 0.00000 -0.33553 -0.33702 0.04308 0.00000
|
|
4 4S 0.00000 13.91724 15.02176 3.24422 0.00000
|
|
5 5S 0.00000 2.02306 4.59106 1.42489 0.00000
|
|
6 6PX 0.00000 0.00830 -0.05390 0.04237 0.00000
|
|
7 6PY 0.00000 -0.02688 -0.04759 -0.00915 0.00000
|
|
8 6PZ 0.01624 0.00000 0.00000 0.00000 0.13198
|
|
9 7PX 0.00000 0.64005 -0.50189 0.20102 0.00000
|
|
10 7PY 0.00000 0.24661 -0.29087 0.41283 0.00000
|
|
11 7PZ 0.22935 0.00000 0.00000 0.00000 0.52323
|
|
12 8PX 0.00000 1.69344 -4.72437 6.93124 0.00000
|
|
13 8PY 0.00000 0.01331 -0.00183 -6.39524 0.00000
|
|
14 8PZ 3.62915 0.00000 0.00000 0.00000 10.71201
|
|
15 9PX 0.00000 0.16303 -0.50258 0.77788 0.00000
|
|
16 9PY 0.00000 0.11005 -0.15958 -0.26027 0.00000
|
|
17 9PZ 0.20849 0.00000 0.00000 0.00000 1.69511
|
|
18 10D 0 0.00000 0.01847 -0.00543 0.02937 0.00000
|
|
19 10D+1 -0.00187 0.00000 0.00000 0.00000 0.01595
|
|
20 10D-1 -0.00670 0.00000 0.00000 0.00000 -0.01275
|
|
21 10D+2 0.00000 0.00420 0.01708 0.05928 0.00000
|
|
22 10D-2 0.00000 0.03082 -0.00740 -0.02701 0.00000
|
|
23 11D 0 0.00000 0.46577 0.21066 0.03247 0.00000
|
|
24 11D+1 0.36940 0.00000 0.00000 0.00000 0.43952
|
|
25 11D-1 0.32922 0.00000 0.00000 0.00000 0.17223
|
|
26 11D+2 0.00000 0.50518 0.70743 -1.16029 0.00000
|
|
27 11D-2 0.00000 -0.06516 0.12226 0.38439 0.00000
|
|
28 12D 0 0.00000 0.36863 -0.03273 -0.22289 0.00000
|
|
29 12D+1 0.22112 0.00000 0.00000 0.00000 0.47669
|
|
30 12D-1 0.05985 0.00000 0.00000 0.00000 -0.11604
|
|
31 12D+2 0.00000 -0.31417 1.06978 -0.46105 0.00000
|
|
32 12D-2 0.00000 4.25159 -1.38177 1.40988 0.00000
|
|
33 13F 0 0.00079 0.00000 0.00000 0.00000 0.00584
|
|
34 13F+1 0.00000 0.11087 0.06104 0.01043 0.00000
|
|
35 13F-1 0.00000 0.08399 0.03101 0.00073 0.00000
|
|
36 13F+2 0.01500 0.00000 0.00000 0.00000 -0.00349
|
|
37 13F-2 0.00761 0.00000 0.00000 0.00000 0.01078
|
|
38 13F+3 0.00000 -0.02892 -0.03826 -0.00712 0.00000
|
|
39 13F-3 0.00000 0.06204 0.04902 -0.03205 0.00000
|
|
40 14F 0 0.31589 0.00000 0.00000 0.00000 -0.20320
|
|
41 14F+1 0.00000 0.22362 0.67497 -0.80832 0.00000
|
|
42 14F-1 0.00000 -0.34740 0.11086 0.73393 0.00000
|
|
43 14F+2 -0.68217 0.00000 0.00000 0.00000 0.02335
|
|
44 14F-2 0.32124 0.00000 0.00000 0.00000 0.23402
|
|
45 14F+3 0.00000 -0.26237 -0.08423 0.23042 0.00000
|
|
46 14F-3 0.00000 -0.10486 -0.13146 0.51844 0.00000
|
|
47 2 S 1S 0.00000 -0.00523 -0.00382 0.02387 0.00000
|
|
48 2S 0.00000 0.00839 -0.00849 0.00834 0.00000
|
|
49 3S 0.00000 -0.08135 -0.09878 0.46299 0.00000
|
|
50 4S 0.00000 -0.06287 -0.10530 0.23422 0.00000
|
|
51 5S 0.00000 -0.56704 0.04915 -5.83034 0.00000
|
|
52 6S 0.00000 -0.44709 -2.28746 -3.93282 0.00000
|
|
53 7PX 0.00000 -0.03858 -0.05083 -0.00378 0.00000
|
|
54 7PY 0.00000 0.02535 0.07432 -0.02385 0.00000
|
|
55 7PZ 0.01450 0.00000 0.00000 0.00000 0.04197
|
|
56 8PX 0.00000 0.08237 -0.86927 -0.53897 0.00000
|
|
57 8PY 0.00000 0.41707 0.40568 0.06749 0.00000
|
|
58 8PZ 0.31141 0.00000 0.00000 0.00000 0.23947
|
|
59 9PX 0.00000 0.02877 0.07604 -0.00151 0.00000
|
|
60 9PY 0.00000 -0.01833 -0.10936 0.02380 0.00000
|
|
61 9PZ -0.04044 0.00000 0.00000 0.00000 -0.08937
|
|
62 10PX 0.00000 3.20890 5.65573 1.94748 0.00000
|
|
63 10PY 0.00000 -3.17495 -6.67058 -8.06214 0.00000
|
|
64 10PZ -0.73366 0.00000 0.00000 0.00000 -3.71787
|
|
65 11PX 0.00000 -0.03998 0.64064 -0.28230 0.00000
|
|
66 11PY 0.00000 -0.25029 -0.83897 -0.74860 0.00000
|
|
67 11PZ 0.04879 0.00000 0.00000 0.00000 -0.53584
|
|
68 12D 0 0.00000 0.06218 0.06650 0.28278 0.00000
|
|
69 12D+1 0.36543 0.00000 0.00000 0.00000 -0.16060
|
|
70 12D-1 -0.18682 0.00000 0.00000 0.00000 -0.81369
|
|
71 12D+2 0.00000 0.79879 1.13541 1.07194 0.00000
|
|
72 12D-2 0.00000 0.29210 -0.28341 0.04857 0.00000
|
|
73 13D 0 0.00000 0.03201 0.02112 -0.01470 0.00000
|
|
74 13D+1 -0.02833 0.00000 0.00000 0.00000 -0.04661
|
|
75 13D-1 -0.03132 0.00000 0.00000 0.00000 -0.21302
|
|
76 13D+2 0.00000 0.01700 0.17065 0.11413 0.00000
|
|
77 13D-2 0.00000 -0.05630 0.04894 -0.13814 0.00000
|
|
78 14D 0 0.00000 -0.05098 0.41895 0.48671 0.00000
|
|
79 14D+1 0.39028 0.00000 0.00000 0.00000 -0.45557
|
|
80 14D-1 -0.50696 0.00000 0.00000 0.00000 -2.23194
|
|
81 14D+2 0.00000 1.42312 3.28814 2.52022 0.00000
|
|
82 14D-2 0.00000 -0.79324 0.99236 -0.92449 0.00000
|
|
83 15F 0 -0.05396 0.00000 0.00000 0.00000 -0.07988
|
|
84 15F+1 0.00000 -0.04762 0.04722 0.03689 0.00000
|
|
85 15F-1 0.00000 -0.02975 -0.06827 0.05382 0.00000
|
|
86 15F+2 -0.02164 0.00000 0.00000 0.00000 -0.10394
|
|
87 15F-2 -0.07281 0.00000 0.00000 0.00000 0.06029
|
|
88 15F+3 0.00000 -0.03115 0.04085 -0.09994 0.00000
|
|
89 15F-3 0.00000 0.01503 -0.04106 0.07279 0.00000
|
|
90 16F 0 0.63963 0.00000 0.00000 0.00000 0.95076
|
|
91 16F+1 0.00000 0.40503 -0.92808 -0.50971 0.00000
|
|
92 16F-1 0.00000 0.31745 0.94661 0.15295 0.00000
|
|
93 16F+2 0.39918 0.00000 0.00000 0.00000 1.14542
|
|
94 16F-2 1.05794 0.00000 0.00000 0.00000 -0.61681
|
|
95 16F+3 0.00000 1.04872 -0.37312 0.83417 0.00000
|
|
96 16F-3 0.00000 -0.17680 0.54263 -0.00323 0.00000
|
|
97 3 H 1S 0.00000 0.01501 -0.02398 0.03594 0.00000
|
|
98 2S 0.00000 -1.23959 -1.82812 -0.74921 0.00000
|
|
99 3S 0.00000 -1.67065 -5.56240 -3.39966 0.00000
|
|
100 4S 0.00000 0.07136 -0.27933 -0.03590 0.00000
|
|
101 5PX 0.00000 0.01154 0.01211 0.01432 0.00000
|
|
102 5PY 0.00000 -0.01977 -0.00668 -0.00541 0.00000
|
|
103 5PZ -0.00710 0.00000 0.00000 0.00000 -0.00817
|
|
104 6PX 0.00000 0.03148 -0.05912 -0.45887 0.00000
|
|
105 6PY 0.00000 0.12197 0.18496 -0.09776 0.00000
|
|
106 6PZ 0.03460 0.00000 0.00000 0.00000 0.07083
|
|
107 7PX 0.00000 0.23080 0.11233 0.56902 0.00000
|
|
108 7PY 0.00000 0.72994 -0.20159 -0.57137 0.00000
|
|
109 7PZ -0.80242 0.00000 0.00000 0.00000 0.37650
|
|
110 8D 0 0.00000 0.01841 0.01027 -0.03070 0.00000
|
|
111 8D+1 -0.00905 0.00000 0.00000 0.00000 0.00653
|
|
112 8D-1 0.03770 0.00000 0.00000 0.00000 -0.01213
|
|
113 8D+2 0.00000 -0.00759 -0.02432 -0.00029 0.00000
|
|
114 8D-2 0.00000 -0.01008 0.01920 -0.00761 0.00000
|
|
115 9D 0 0.00000 -0.60813 -0.23435 0.18448 0.00000
|
|
116 9D+1 0.47762 0.00000 0.00000 0.00000 -0.14923
|
|
117 9D-1 -1.14893 0.00000 0.00000 0.00000 0.27616
|
|
118 9D+2 0.00000 0.22530 0.80755 0.89164 0.00000
|
|
119 9D-2 0.00000 0.44780 -0.64393 0.42063 0.00000
|
|
120 4 H 1S 0.00000 -0.05810 0.01139 0.04995 0.00000
|
|
121 2S 0.00000 -1.69498 -3.67423 2.25341 0.00000
|
|
122 3S 0.00000 1.31721 -5.41052 10.13886 0.00000
|
|
123 4S 0.00000 0.10584 -0.33243 0.55214 0.00000
|
|
124 5PX 0.00000 -0.01830 -0.03289 0.00463 0.00000
|
|
125 5PY 0.00000 -0.00164 0.02442 -0.01985 0.00000
|
|
126 5PZ -0.00980 0.00000 0.00000 0.00000 0.03534
|
|
127 6PX 0.00000 -0.56004 -0.54369 0.55761 0.00000
|
|
128 6PY 0.00000 0.31271 0.08355 -0.01199 0.00000
|
|
129 6PZ 0.46209 0.00000 0.00000 0.00000 -0.60566
|
|
130 7PX 0.00000 0.75130 -0.33904 2.36761 0.00000
|
|
131 7PY 0.00000 2.06068 -1.28572 0.62717 0.00000
|
|
132 7PZ 0.29161 0.00000 0.00000 0.00000 -0.96872
|
|
133 8D 0 0.00000 0.01990 0.03812 -0.00558 0.00000
|
|
134 8D+1 0.01434 0.00000 0.00000 0.00000 -0.00051
|
|
135 8D-1 0.03478 0.00000 0.00000 0.00000 -0.01892
|
|
136 8D+2 0.00000 -0.04273 -0.02334 0.01396 0.00000
|
|
137 8D-2 0.00000 0.04600 0.02414 -0.02771 0.00000
|
|
138 9D 0 0.00000 -0.25008 -0.39099 -0.16007 0.00000
|
|
139 9D+1 0.10328 0.00000 0.00000 0.00000 -0.16739
|
|
140 9D-1 -1.08344 0.00000 0.00000 0.00000 0.52050
|
|
141 9D+2 0.00000 0.61640 0.11233 -0.46512 0.00000
|
|
142 9D-2 0.00000 -0.75370 0.03192 0.72554 0.00000
|
|
143 5 H 1S -0.02459 0.01560 -0.02212 -0.00581 -0.01176
|
|
144 2S -1.31814 -2.35016 -2.13799 -0.79970 -2.17242
|
|
145 3S -2.74983 -4.76706 -0.26950 -0.69657 -6.27381
|
|
146 4S -0.13502 -0.27996 0.00554 -0.13568 -1.03895
|
|
147 5PX -0.00764 0.01551 -0.00414 0.00919 -0.01136
|
|
148 5PY 0.00631 0.00855 0.00808 0.01070 0.02105
|
|
149 5PZ 0.00376 0.02460 0.01920 -0.00995 0.01195
|
|
150 6PX 0.40971 0.29820 0.40056 0.04124 0.30924
|
|
151 6PY -0.12709 0.42452 0.28868 -0.48521 -0.33356
|
|
152 6PZ 0.16621 0.63890 0.31578 0.29106 0.15205
|
|
153 7PX 0.43291 -0.04854 0.04117 -0.19036 0.87301
|
|
154 7PY -0.16979 -0.44468 0.00503 -1.25556 -0.46429
|
|
155 7PZ 0.53020 1.07294 -0.74573 0.62193 0.72470
|
|
156 8D 0 0.00562 -0.02619 -0.02216 -0.00255 -0.00281
|
|
157 8D+1 -0.02163 -0.04956 -0.01962 -0.01415 -0.01034
|
|
158 8D-1 -0.00821 -0.05164 -0.02507 0.01228 -0.01295
|
|
159 8D+2 0.00022 -0.00665 0.00612 0.01524 0.02077
|
|
160 8D-2 0.01641 0.01421 -0.02590 0.00131 -0.00103
|
|
161 9D 0 -0.37167 -0.05304 0.50696 -0.50020 -0.09106
|
|
162 9D+1 0.16727 0.33473 0.11945 0.04919 0.09480
|
|
163 9D-1 0.40067 0.27324 0.17739 0.21066 0.50816
|
|
164 9D+2 -0.06568 0.46008 -0.03922 -1.28592 -0.71855
|
|
165 9D-2 -0.55997 -0.95475 0.47903 0.03846 0.21537
|
|
166 6 H 1S 0.02459 0.01560 -0.02212 -0.00581 0.01176
|
|
167 2S 1.31814 -2.35016 -2.13799 -0.79970 2.17242
|
|
168 3S 2.74983 -4.76706 -0.26950 -0.69657 6.27381
|
|
169 4S 0.13502 -0.27996 0.00554 -0.13568 1.03895
|
|
170 5PX 0.00764 0.01551 -0.00414 0.00919 0.01136
|
|
171 5PY -0.00631 0.00855 0.00808 0.01070 -0.02105
|
|
172 5PZ 0.00376 -0.02460 -0.01920 0.00995 0.01195
|
|
173 6PX -0.40971 0.29820 0.40056 0.04124 -0.30924
|
|
174 6PY 0.12709 0.42452 0.28868 -0.48521 0.33356
|
|
175 6PZ 0.16621 -0.63890 -0.31578 -0.29106 0.15205
|
|
176 7PX -0.43291 -0.04854 0.04117 -0.19036 -0.87301
|
|
177 7PY 0.16979 -0.44468 0.00503 -1.25556 0.46429
|
|
178 7PZ 0.53020 -1.07294 0.74573 -0.62193 0.72470
|
|
179 8D 0 -0.00562 -0.02619 -0.02216 -0.00255 0.00281
|
|
180 8D+1 -0.02163 0.04956 0.01962 0.01415 -0.01034
|
|
181 8D-1 -0.00821 0.05164 0.02507 -0.01228 -0.01295
|
|
182 8D+2 -0.00022 -0.00665 0.00612 0.01524 -0.02077
|
|
183 8D-2 -0.01641 0.01421 -0.02590 0.00131 0.00103
|
|
184 9D 0 0.37167 -0.05304 0.50696 -0.50020 0.09106
|
|
185 9D+1 0.16727 -0.33473 -0.11945 -0.04919 0.09480
|
|
186 9D-1 0.40067 -0.27324 -0.17739 -0.21066 0.50816
|
|
187 9D+2 0.06568 0.46008 -0.03922 -1.28592 0.71855
|
|
188 9D-2 0.55997 -0.95475 0.47903 0.03846 -0.21537
|
|
96 97 98 99 100
|
|
V V V V V
|
|
Eigenvalues -- 1.39167 1.47238 1.57285 1.58309 1.61611
|
|
1 1 C 1S -0.00281 -0.03797 0.02566 0.00000 -0.04597
|
|
2 2S -0.25172 0.06616 0.01222 0.00000 -0.02788
|
|
3 3S -0.42281 -0.05868 0.05992 0.00000 -0.38314
|
|
4 4S 8.20417 7.66110 -6.87767 0.00000 22.34680
|
|
5 5S 4.62777 -0.38941 -5.32959 0.00000 5.66901
|
|
6 6PX 0.02140 0.09904 0.01812 0.00000 0.05856
|
|
7 6PY 0.09435 -0.06860 0.21746 0.00000 0.09052
|
|
8 6PZ 0.00000 0.00000 0.00000 0.09758 0.00000
|
|
9 7PX -0.16589 0.60933 0.37956 0.00000 0.78022
|
|
10 7PY 1.52251 -1.06574 0.74917 0.00000 1.50016
|
|
11 7PZ 0.00000 0.00000 0.00000 1.75580 0.00000
|
|
12 8PX 2.36641 7.90918 3.10157 0.00000 5.77683
|
|
13 8PY 2.46169 4.31442 14.54014 0.00000 4.94040
|
|
14 8PZ 0.00000 0.00000 0.00000 9.10039 0.00000
|
|
15 9PX 0.35407 0.86341 0.57403 0.00000 0.47737
|
|
16 9PY -0.23454 0.01187 2.44301 0.00000 0.05444
|
|
17 9PZ 0.00000 0.00000 0.00000 1.36674 0.00000
|
|
18 10D 0 0.02211 0.00311 -0.01742 0.00000 0.03750
|
|
19 10D+1 0.00000 0.00000 0.00000 0.00831 0.00000
|
|
20 10D-1 0.00000 0.00000 0.00000 0.00319 0.00000
|
|
21 10D+2 0.03040 -0.03192 -0.04373 0.00000 0.05754
|
|
22 10D-2 -0.01390 0.00241 -0.00187 0.00000 0.00886
|
|
23 11D 0 0.25111 0.38518 0.99981 0.00000 1.67275
|
|
24 11D+1 0.00000 0.00000 0.00000 1.48847 0.00000
|
|
25 11D-1 0.00000 0.00000 0.00000 1.35872 0.00000
|
|
26 11D+2 0.45737 0.45724 0.97266 0.00000 0.22719
|
|
27 11D-2 0.05180 -0.27645 0.05055 0.00000 1.24063
|
|
28 12D 0 0.00274 2.46150 1.11345 0.00000 1.58241
|
|
29 12D+1 0.00000 0.00000 0.00000 0.73460 0.00000
|
|
30 12D-1 0.00000 0.00000 0.00000 -0.21079 0.00000
|
|
31 12D+2 -0.14773 -0.24366 1.19409 0.00000 0.67211
|
|
32 12D-2 -2.36625 -0.06353 0.17062 0.00000 0.30992
|
|
33 13F 0 0.00000 0.00000 0.00000 -0.02078 0.00000
|
|
34 13F+1 0.14879 -0.04055 -0.04731 0.00000 0.13750
|
|
35 13F-1 0.08595 -0.02595 0.01758 0.00000 0.03047
|
|
36 13F+2 0.00000 0.00000 0.00000 0.01794 0.00000
|
|
37 13F-2 0.00000 0.00000 0.00000 -0.02130 0.00000
|
|
38 13F+3 -0.06740 0.01073 0.01653 0.00000 -0.01787
|
|
39 13F-3 0.11233 -0.01817 0.01514 0.00000 0.00566
|
|
40 14F 0 0.00000 0.00000 0.00000 0.79663 0.00000
|
|
41 14F+1 -0.03583 0.84327 1.16856 0.00000 -0.18032
|
|
42 14F-1 -0.10305 0.34965 -0.59505 0.00000 1.60902
|
|
43 14F+2 0.00000 0.00000 0.00000 -0.09866 0.00000
|
|
44 14F-2 0.00000 0.00000 0.00000 1.88722 0.00000
|
|
45 14F+3 0.10554 -0.33392 -0.26010 0.00000 0.08806
|
|
46 14F-3 -0.59526 -0.09742 -0.96625 0.00000 0.70136
|
|
47 2 S 1S 0.00438 0.01521 -0.04064 0.00000 0.06081
|
|
48 2S 0.06727 0.06432 -0.21061 0.00000 0.16249
|
|
49 3S 0.22464 0.40881 -1.22528 0.00000 1.47842
|
|
50 4S 0.09631 0.13374 -0.69001 0.00000 0.58796
|
|
51 5S -2.90586 -1.43341 15.31330 0.00000 -5.89415
|
|
52 6S -1.96411 -0.90296 9.23413 0.00000 -5.79865
|
|
53 7PX 0.01448 0.01874 -0.02391 0.00000 0.02798
|
|
54 7PY 0.03235 0.00950 -0.01300 0.00000 -0.03167
|
|
55 7PZ 0.00000 0.00000 0.00000 0.02565 0.00000
|
|
56 8PX -0.10053 -0.09667 0.86614 0.00000 -0.16463
|
|
57 8PY -0.54813 0.16016 1.84247 0.00000 -0.35392
|
|
58 8PZ 0.00000 0.00000 0.00000 -0.32411 0.00000
|
|
59 9PX -0.01491 -0.00350 -0.01128 0.00000 -0.00419
|
|
60 9PY 0.00631 -0.03751 -0.06427 0.00000 0.01654
|
|
61 9PZ 0.00000 0.00000 0.00000 -0.04465 0.00000
|
|
62 10PX -4.95223 -5.55318 1.36486 0.00000 -5.06022
|
|
63 10PY 1.35688 1.28794 10.26841 0.00000 -2.02537
|
|
64 10PZ 0.00000 0.00000 0.00000 -1.46910 0.00000
|
|
65 11PX -0.17895 -0.18084 -0.38092 0.00000 -0.27297
|
|
66 11PY -0.06804 -0.35760 1.46922 0.00000 -0.86428
|
|
67 11PZ 0.00000 0.00000 0.00000 -0.10145 0.00000
|
|
68 12D 0 0.02077 0.39849 -1.40073 0.00000 0.64547
|
|
69 12D+1 0.00000 0.00000 0.00000 -0.45969 0.00000
|
|
70 12D-1 0.00000 0.00000 0.00000 0.42660 0.00000
|
|
71 12D+2 -0.69975 -0.36056 -0.55077 0.00000 -0.86269
|
|
72 12D-2 -0.77163 -0.71506 -0.02671 0.00000 0.12491
|
|
73 13D 0 -0.09041 0.04716 -0.03418 0.00000 0.20092
|
|
74 13D+1 0.00000 0.00000 0.00000 0.06684 0.00000
|
|
75 13D-1 0.00000 0.00000 0.00000 0.00374 0.00000
|
|
76 13D+2 -0.10112 0.12280 0.01482 0.00000 -0.02000
|
|
77 13D-2 -0.08353 -0.11551 -0.03868 0.00000 0.05908
|
|
78 14D 0 -0.16032 0.09557 -1.36091 0.00000 1.42688
|
|
79 14D+1 0.00000 0.00000 0.00000 -0.16876 0.00000
|
|
80 14D-1 0.00000 0.00000 0.00000 -0.08074 0.00000
|
|
81 14D+2 -1.32523 0.05015 -1.64260 0.00000 -0.87430
|
|
82 14D-2 -0.88348 -1.80475 -0.08336 0.00000 0.14057
|
|
83 15F 0 0.00000 0.00000 0.00000 0.00862 0.00000
|
|
84 15F+1 -0.01450 0.00396 -0.01393 0.00000 0.06348
|
|
85 15F-1 0.07595 -0.05107 -0.01334 0.00000 0.00147
|
|
86 15F+2 0.00000 0.00000 0.00000 0.03543 0.00000
|
|
87 15F-2 0.00000 0.00000 0.00000 -0.07998 0.00000
|
|
88 15F+3 -0.07569 -0.12958 0.00674 0.00000 0.03696
|
|
89 15F-3 0.01942 -0.08286 -0.04451 0.00000 0.05953
|
|
90 16F 0 0.00000 0.00000 0.00000 0.04477 0.00000
|
|
91 16F+1 0.44527 0.52347 -0.35397 0.00000 0.27640
|
|
92 16F-1 -0.53744 0.19187 -0.42413 0.00000 0.45861
|
|
93 16F+2 0.00000 0.00000 0.00000 -0.57340 0.00000
|
|
94 16F-2 0.00000 0.00000 0.00000 0.81415 0.00000
|
|
95 16F+3 -0.12372 1.36150 0.64778 0.00000 -1.32082
|
|
96 16F-3 -0.26450 0.86626 -0.42285 0.00000 -0.15165
|
|
97 3 H 1S -0.06416 0.01860 -0.01919 0.00000 -0.03454
|
|
98 2S 1.32360 -0.04576 -2.30499 0.00000 3.06882
|
|
99 3S 3.60890 6.97641 -1.20587 0.00000 6.14549
|
|
100 4S 0.10986 0.04576 0.71183 0.00000 0.22499
|
|
101 5PX -0.00277 0.01084 -0.02504 0.00000 -0.00408
|
|
102 5PY -0.02278 0.00992 0.01764 0.00000 -0.02305
|
|
103 5PZ 0.00000 0.00000 0.00000 -0.03955 0.00000
|
|
104 6PX -0.17130 -0.61494 0.88640 0.00000 -0.40648
|
|
105 6PY 0.34618 -0.12959 -0.49426 0.00000 0.75784
|
|
106 6PZ 0.00000 0.00000 0.00000 1.00855 0.00000
|
|
107 7PX -1.16438 -1.79048 -0.14182 0.00000 -0.65251
|
|
108 7PY 0.22051 2.08501 -0.38645 0.00000 0.42565
|
|
109 7PZ 0.00000 0.00000 0.00000 0.75352 0.00000
|
|
110 8D 0 -0.02267 0.00464 0.02674 0.00000 -0.02886
|
|
111 8D+1 0.00000 0.00000 0.00000 0.00280 0.00000
|
|
112 8D-1 0.00000 0.00000 0.00000 -0.00457 0.00000
|
|
113 8D+2 -0.01154 0.05118 -0.03882 0.00000 0.04021
|
|
114 8D-2 0.00892 0.00814 0.00527 0.00000 -0.01426
|
|
115 9D 0 0.25848 -0.53497 -0.12004 0.00000 0.65946
|
|
116 9D+1 0.00000 0.00000 0.00000 -0.82776 0.00000
|
|
117 9D-1 0.00000 0.00000 0.00000 -0.13886 0.00000
|
|
118 9D+2 0.19708 -0.83360 0.16537 0.00000 -0.31926
|
|
119 9D-2 -0.73104 -0.41535 0.31664 0.00000 -0.17108
|
|
120 4 H 1S 0.00582 -0.00882 0.02290 0.00000 -0.02975
|
|
121 2S -1.29247 0.22356 0.29141 0.00000 -0.80926
|
|
122 3S -3.48581 4.73434 1.21877 0.00000 0.58184
|
|
123 4S -0.02303 0.73937 0.27826 0.00000 0.20731
|
|
124 5PX -0.03578 0.00975 -0.00477 0.00000 0.02474
|
|
125 5PY -0.00231 -0.01009 0.03133 0.00000 0.03283
|
|
126 5PZ 0.00000 0.00000 0.00000 0.01025 0.00000
|
|
127 6PX -0.88975 0.01367 0.36989 0.00000 -0.73189
|
|
128 6PY 0.65391 0.32379 -0.43123 0.00000 -0.62322
|
|
129 6PZ 0.00000 0.00000 0.00000 0.09959 0.00000
|
|
130 7PX -0.29073 0.44325 -0.04059 0.00000 -0.21211
|
|
131 7PY -0.76656 0.67127 -0.83814 0.00000 -1.12600
|
|
132 7PZ 0.00000 0.00000 0.00000 -1.41603 0.00000
|
|
133 8D 0 0.03953 -0.01737 -0.01646 0.00000 0.02855
|
|
134 8D+1 0.00000 0.00000 0.00000 0.04641 0.00000
|
|
135 8D-1 0.00000 0.00000 0.00000 -0.00620 0.00000
|
|
136 8D+2 -0.08345 0.00549 0.03680 0.00000 -0.02196
|
|
137 8D-2 0.04718 -0.00750 0.00774 0.00000 0.02909
|
|
138 9D 0 0.22757 0.31725 0.44837 0.00000 -0.69816
|
|
139 9D+1 0.00000 0.00000 0.00000 -0.77103 0.00000
|
|
140 9D-1 0.00000 0.00000 0.00000 0.53101 0.00000
|
|
141 9D+2 0.72291 0.62939 0.09513 0.00000 -0.66045
|
|
142 9D-2 -0.01896 0.32753 -0.43269 0.00000 -0.19346
|
|
143 5 H 1S -0.03983 0.01542 0.03515 0.08187 0.01450
|
|
144 2S -2.21261 -1.81700 -1.09249 -4.17271 -5.79681
|
|
145 3S -3.22066 -7.02771 -4.62205 -5.95862 -8.36850
|
|
146 4S -0.34733 -0.27638 -0.69469 -1.14262 -0.47126
|
|
147 5PX 0.01700 0.01423 0.00808 0.01536 0.01332
|
|
148 5PY 0.01268 0.01347 0.03203 0.00344 0.03127
|
|
149 5PZ 0.01696 -0.01042 0.00358 0.03371 0.01013
|
|
150 6PX 0.37434 -0.32776 -0.12261 0.25247 0.76116
|
|
151 6PY 0.35954 -0.12269 -0.32345 0.36174 -0.09282
|
|
152 6PZ 0.94703 0.16502 0.02255 0.46310 1.28562
|
|
153 7PX 0.17778 0.52664 0.49023 0.34406 0.43578
|
|
154 7PY 0.01500 1.20746 -0.47089 1.30431 0.37057
|
|
155 7PZ 0.00816 1.03816 1.22862 0.32656 1.07073
|
|
156 8D 0 -0.05264 0.01444 0.02257 -0.02709 -0.03603
|
|
157 8D+1 -0.05821 0.00898 0.01421 -0.01385 -0.06789
|
|
158 8D-1 -0.05081 0.00831 -0.01266 -0.00868 -0.03708
|
|
159 8D+2 -0.00051 -0.00147 0.01729 -0.01210 -0.01665
|
|
160 8D-2 -0.04354 -0.00929 -0.01147 0.00488 -0.01846
|
|
161 9D 0 0.22733 0.02724 -0.07806 0.11996 -0.00109
|
|
162 9D+1 0.17266 0.22467 -0.31094 0.29629 0.62173
|
|
163 9D-1 0.34750 -0.21748 0.40685 0.18995 0.07261
|
|
164 9D+2 -0.12543 0.49416 0.32761 0.39007 -0.51746
|
|
165 9D-2 0.76207 0.43737 0.32218 -0.55868 -0.00340
|
|
166 6 H 1S -0.03983 0.01542 0.03515 -0.08187 0.01450
|
|
167 2S -2.21261 -1.81700 -1.09249 4.17271 -5.79681
|
|
168 3S -3.22066 -7.02771 -4.62205 5.95862 -8.36850
|
|
169 4S -0.34733 -0.27638 -0.69469 1.14262 -0.47126
|
|
170 5PX 0.01700 0.01423 0.00808 -0.01536 0.01332
|
|
171 5PY 0.01268 0.01347 0.03203 -0.00344 0.03127
|
|
172 5PZ -0.01696 0.01042 -0.00358 0.03371 -0.01013
|
|
173 6PX 0.37434 -0.32776 -0.12261 -0.25247 0.76116
|
|
174 6PY 0.35954 -0.12269 -0.32345 -0.36174 -0.09282
|
|
175 6PZ -0.94703 -0.16502 -0.02255 0.46310 -1.28562
|
|
176 7PX 0.17778 0.52664 0.49023 -0.34406 0.43578
|
|
177 7PY 0.01500 1.20746 -0.47089 -1.30431 0.37057
|
|
178 7PZ -0.00816 -1.03816 -1.22862 0.32656 -1.07073
|
|
179 8D 0 -0.05264 0.01444 0.02257 0.02709 -0.03603
|
|
180 8D+1 0.05821 -0.00898 -0.01421 -0.01385 0.06789
|
|
181 8D-1 0.05081 -0.00831 0.01266 -0.00868 0.03708
|
|
182 8D+2 -0.00051 -0.00147 0.01729 0.01210 -0.01665
|
|
183 8D-2 -0.04354 -0.00929 -0.01147 -0.00488 -0.01846
|
|
184 9D 0 0.22733 0.02724 -0.07806 -0.11996 -0.00109
|
|
185 9D+1 -0.17266 -0.22467 0.31094 0.29629 -0.62173
|
|
186 9D-1 -0.34750 0.21748 -0.40685 0.18995 -0.07261
|
|
187 9D+2 -0.12543 0.49416 0.32761 -0.39007 -0.51746
|
|
188 9D-2 0.76207 0.43737 0.32218 0.55868 -0.00340
|
|
101 102 103 104 105
|
|
V V V V V
|
|
Eigenvalues -- 1.63299 1.63752 1.65395 1.66972 1.68272
|
|
1 1 C 1S 0.00000 -0.06103 0.00000 -0.05154 0.00000
|
|
2 2S 0.00000 -0.04060 0.00000 -0.03107 0.00000
|
|
3 3S 0.00000 -0.47962 0.00000 -0.36578 0.00000
|
|
4 4S 0.00000 27.10285 0.00000 22.96062 0.00000
|
|
5 5S 0.00000 6.36291 0.00000 5.67365 0.00000
|
|
6 6PX 0.00000 -0.12177 0.00000 0.11501 0.00000
|
|
7 6PY 0.00000 0.06789 0.00000 0.02194 0.00000
|
|
8 6PZ 0.09454 0.00000 -0.12484 0.00000 0.02419
|
|
9 7PX 0.00000 -1.41666 0.00000 0.67782 0.00000
|
|
10 7PY 0.00000 1.06057 0.00000 1.09444 0.00000
|
|
11 7PZ 0.47278 0.00000 -0.64791 0.00000 0.98419
|
|
12 8PX 0.00000 -9.98241 0.00000 10.38811 0.00000
|
|
13 8PY 0.00000 5.07873 0.00000 -3.45445 0.00000
|
|
14 8PZ 7.27166 0.00000 -10.58358 0.00000 4.52422
|
|
15 9PX 0.00000 -0.97644 0.00000 1.30264 0.00000
|
|
16 9PY 0.00000 -0.18920 0.00000 -0.96489 0.00000
|
|
17 9PZ 0.92118 0.00000 -1.27205 0.00000 0.46796
|
|
18 10D 0 0.00000 0.01046 0.00000 0.02364 0.00000
|
|
19 10D+1 0.01224 0.00000 -0.01717 0.00000 0.00014
|
|
20 10D-1 0.01764 0.00000 -0.01900 0.00000 -0.01286
|
|
21 10D+2 0.00000 0.03040 0.00000 -0.00099 0.00000
|
|
22 10D-2 0.00000 -0.00675 0.00000 0.01642 0.00000
|
|
23 11D 0 0.00000 -0.71851 0.00000 0.70132 0.00000
|
|
24 11D+1 0.46743 0.00000 -1.06057 0.00000 1.25296
|
|
25 11D-1 0.33453 0.00000 -0.69559 0.00000 1.19448
|
|
26 11D+2 0.00000 1.65695 0.00000 -0.37622 0.00000
|
|
27 11D-2 0.00000 -0.94300 0.00000 0.04682 0.00000
|
|
28 12D 0 0.00000 0.10973 0.00000 1.22900 0.00000
|
|
29 12D+1 1.61476 0.00000 -2.49112 0.00000 0.32566
|
|
30 12D-1 0.32471 0.00000 -1.66994 0.00000 0.73410
|
|
31 12D+2 0.00000 0.85169 0.00000 -2.59471 0.00000
|
|
32 12D-2 0.00000 -0.19234 0.00000 0.21151 0.00000
|
|
33 13F 0 0.09656 0.00000 -0.02934 0.00000 -0.02342
|
|
34 13F+1 0.00000 0.08374 0.00000 0.03572 0.00000
|
|
35 13F-1 0.00000 0.03002 0.00000 0.04948 0.00000
|
|
36 13F+2 0.01358 0.00000 -0.08163 0.00000 -0.06590
|
|
37 13F-2 0.03143 0.00000 -0.08312 0.00000 -0.02029
|
|
38 13F+3 0.00000 -0.02976 0.00000 0.10916 0.00000
|
|
39 13F-3 0.00000 0.00611 0.00000 -0.00997 0.00000
|
|
40 14F 0 -1.50888 0.00000 0.28059 0.00000 0.85562
|
|
41 14F+1 0.00000 0.92948 0.00000 1.05106 0.00000
|
|
42 14F-1 0.00000 -0.27793 0.00000 0.28760 0.00000
|
|
43 14F+2 -0.12002 0.00000 1.30841 0.00000 1.01366
|
|
44 14F-2 -0.29720 0.00000 0.97408 0.00000 1.56397
|
|
45 14F+3 0.00000 -0.83195 0.00000 -2.22598 0.00000
|
|
46 14F-3 0.00000 2.02512 0.00000 1.16898 0.00000
|
|
47 2 S 1S 0.00000 0.02124 0.00000 -0.00284 0.00000
|
|
48 2S 0.00000 0.10798 0.00000 0.01454 0.00000
|
|
49 3S 0.00000 0.62729 0.00000 -0.02573 0.00000
|
|
50 4S 0.00000 0.30789 0.00000 -0.01822 0.00000
|
|
51 5S 0.00000 -5.75230 0.00000 -4.43034 0.00000
|
|
52 6S 0.00000 -4.11430 0.00000 -3.85804 0.00000
|
|
53 7PX 0.00000 0.02875 0.00000 0.01985 0.00000
|
|
54 7PY 0.00000 -0.03866 0.00000 0.02909 0.00000
|
|
55 7PZ 0.04955 0.00000 -0.00591 0.00000 -0.08943
|
|
56 8PX 0.00000 0.04381 0.00000 -0.02368 0.00000
|
|
57 8PY 0.00000 -0.56347 0.00000 -1.39824 0.00000
|
|
58 8PZ -0.61709 0.00000 0.21296 0.00000 0.98403
|
|
59 9PX 0.00000 -0.01995 0.00000 -0.05608 0.00000
|
|
60 9PY 0.00000 0.05645 0.00000 -0.00457 0.00000
|
|
61 9PZ -0.07399 0.00000 0.00496 0.00000 0.14071
|
|
62 10PX 0.00000 -4.14993 0.00000 2.15710 0.00000
|
|
63 10PY 0.00000 1.74584 0.00000 -6.11839 0.00000
|
|
64 10PZ -0.79213 0.00000 -1.10706 0.00000 2.44772
|
|
65 11PX 0.00000 -0.14338 0.00000 0.33138 0.00000
|
|
66 11PY 0.00000 -0.45393 0.00000 -0.87504 0.00000
|
|
67 11PZ 0.05018 0.00000 -0.01180 0.00000 0.00806
|
|
68 12D 0 0.00000 0.44496 0.00000 -0.05988 0.00000
|
|
69 12D+1 -0.37648 0.00000 -0.57853 0.00000 1.51039
|
|
70 12D-1 -0.62667 0.00000 0.96802 0.00000 0.73854
|
|
71 12D+2 0.00000 0.30452 0.00000 2.09560 0.00000
|
|
72 12D-2 0.00000 0.76727 0.00000 -1.27458 0.00000
|
|
73 13D 0 0.00000 0.03273 0.00000 -0.06124 0.00000
|
|
74 13D+1 -0.01414 0.00000 -0.03768 0.00000 0.16149
|
|
75 13D-1 0.09941 0.00000 -0.04645 0.00000 -0.10816
|
|
76 13D+2 0.00000 0.01437 0.00000 -0.05455 0.00000
|
|
77 13D-2 0.00000 0.06995 0.00000 0.05857 0.00000
|
|
78 14D 0 0.00000 0.50629 0.00000 0.25197 0.00000
|
|
79 14D+1 -0.16374 0.00000 -0.26285 0.00000 1.01088
|
|
80 14D-1 0.18356 0.00000 -0.22237 0.00000 0.14049
|
|
81 14D+2 0.00000 -0.49348 0.00000 1.61613 0.00000
|
|
82 14D-2 0.00000 0.91459 0.00000 -0.10917 0.00000
|
|
83 15F 0 0.00683 0.00000 -0.07309 0.00000 0.01866
|
|
84 15F+1 0.00000 0.01111 0.00000 0.00752 0.00000
|
|
85 15F-1 0.00000 0.06926 0.00000 0.07692 0.00000
|
|
86 15F+2 0.05695 0.00000 0.01117 0.00000 -0.06628
|
|
87 15F-2 0.00450 0.00000 -0.08038 0.00000 -0.02593
|
|
88 15F+3 0.00000 -0.03677 0.00000 0.03226 0.00000
|
|
89 15F-3 0.00000 -0.03116 0.00000 0.00636 0.00000
|
|
90 16F 0 0.37580 0.00000 0.44018 0.00000 -0.90889
|
|
91 16F+1 0.00000 0.55144 0.00000 -0.36373 0.00000
|
|
92 16F-1 0.00000 -0.56953 0.00000 0.05966 0.00000
|
|
93 16F+2 -0.25649 0.00000 -0.61327 0.00000 0.51174
|
|
94 16F-2 0.20893 0.00000 0.53523 0.00000 0.35836
|
|
95 16F+3 0.00000 0.38454 0.00000 0.93294 0.00000
|
|
96 16F-3 0.00000 1.36567 0.00000 0.05056 0.00000
|
|
97 3 H 1S 0.00000 0.04605 0.00000 -0.05392 0.00000
|
|
98 2S 0.00000 1.28114 0.00000 -2.21801 0.00000
|
|
99 3S 0.00000 7.25526 0.00000 -4.29242 0.00000
|
|
100 4S 0.00000 0.16356 0.00000 -0.66973 0.00000
|
|
101 5PX 0.00000 0.02340 0.00000 -0.01253 0.00000
|
|
102 5PY 0.00000 0.05460 0.00000 0.00697 0.00000
|
|
103 5PZ -0.02825 0.00000 -0.05281 0.00000 0.08865
|
|
104 6PX 0.00000 -0.58205 0.00000 0.91056 0.00000
|
|
105 6PY 0.00000 -1.17319 0.00000 -0.38025 0.00000
|
|
106 6PZ 0.48306 0.00000 1.27350 0.00000 -1.87781
|
|
107 7PX 0.00000 -1.77727 0.00000 0.90830 0.00000
|
|
108 7PY 0.00000 -0.87377 0.00000 -0.54981 0.00000
|
|
109 7PZ 0.34157 0.00000 0.73514 0.00000 -1.84438
|
|
110 8D 0 0.00000 -0.00110 0.00000 0.00996 0.00000
|
|
111 8D+1 0.00336 0.00000 0.00318 0.00000 -0.01822
|
|
112 8D-1 0.01894 0.00000 -0.00599 0.00000 0.00146
|
|
113 8D+2 0.00000 0.04138 0.00000 -0.04780 0.00000
|
|
114 8D-2 0.00000 -0.01411 0.00000 -0.00543 0.00000
|
|
115 9D 0 0.00000 -0.21696 0.00000 -0.03698 0.00000
|
|
116 9D+1 -0.29567 0.00000 -0.79950 0.00000 1.25612
|
|
117 9D-1 -0.19120 0.00000 -0.12936 0.00000 -0.52056
|
|
118 9D+2 0.00000 -0.50503 0.00000 0.25911 0.00000
|
|
119 9D-2 0.00000 1.07296 0.00000 0.34774 0.00000
|
|
120 4 H 1S 0.00000 0.03162 0.00000 0.03605 0.00000
|
|
121 2S 0.00000 -9.38390 0.00000 -2.66268 0.00000
|
|
122 3S 0.00000 -16.02527 0.00000 10.55197 0.00000
|
|
123 4S 0.00000 -1.27106 0.00000 1.16673 0.00000
|
|
124 5PX 0.00000 -0.02211 0.00000 0.00697 0.00000
|
|
125 5PY 0.00000 0.01795 0.00000 -0.00049 0.00000
|
|
126 5PZ 0.01557 0.00000 -0.04065 0.00000 -0.02529
|
|
127 6PX 0.00000 -1.97730 0.00000 -0.42014 0.00000
|
|
128 6PY 0.00000 0.29935 0.00000 0.23702 0.00000
|
|
129 6PZ -0.27915 0.00000 0.77090 0.00000 0.73160
|
|
130 7PX 0.00000 -2.74277 0.00000 1.36940 0.00000
|
|
131 7PY 0.00000 1.27414 0.00000 -1.86322 0.00000
|
|
132 7PZ 1.18142 0.00000 0.48008 0.00000 0.19848
|
|
133 8D 0 0.00000 0.03900 0.00000 -0.00643 0.00000
|
|
134 8D+1 -0.02315 0.00000 -0.02273 0.00000 0.01830
|
|
135 8D-1 -0.00126 0.00000 0.00175 0.00000 -0.01481
|
|
136 8D+2 0.00000 -0.09138 0.00000 0.01490 0.00000
|
|
137 8D-2 0.00000 0.03051 0.00000 -0.00223 0.00000
|
|
138 9D 0 0.00000 -0.31876 0.00000 -0.36847 0.00000
|
|
139 9D+1 0.74014 0.00000 0.92270 0.00000 0.64018
|
|
140 9D-1 -0.22376 0.00000 0.83136 0.00000 0.72600
|
|
141 9D+2 0.00000 0.73440 0.00000 -0.77682 0.00000
|
|
142 9D-2 0.00000 -0.16610 0.00000 -0.24082 0.00000
|
|
143 5 H 1S -0.03001 -0.04999 0.03916 -0.05666 0.06564
|
|
144 2S -1.19383 -2.92069 1.95864 -5.01552 -3.16156
|
|
145 3S -7.24671 -3.16776 11.69699 -8.97250 -3.95230
|
|
146 4S -0.77641 0.12542 0.96585 -0.57244 -0.31234
|
|
147 5PX -0.01909 -0.02287 0.00306 0.02557 0.00798
|
|
148 5PY -0.00858 0.01799 0.00561 -0.01866 0.00492
|
|
149 5PZ 0.01701 -0.00821 -0.01604 -0.02168 0.02712
|
|
150 6PX 0.48571 0.58986 -0.32257 -0.06315 0.28406
|
|
151 6PY 0.20786 0.01401 -0.28029 0.78779 0.34060
|
|
152 6PZ -0.05804 0.85277 -0.20630 1.32382 0.24183
|
|
153 7PX 1.24023 1.10549 0.00521 0.82187 1.14347
|
|
154 7PY 1.17793 -0.28385 -0.94809 0.62514 0.12789
|
|
155 7PZ 0.16862 0.06234 -1.69599 1.14043 0.10504
|
|
156 8D 0 -0.04234 -0.04080 0.01988 -0.03420 -0.02316
|
|
157 8D+1 -0.00380 -0.01769 0.03544 -0.03740 0.00402
|
|
158 8D-1 -0.00611 -0.03573 0.01467 -0.02657 -0.00258
|
|
159 8D+2 0.00182 0.00461 0.01878 -0.01304 0.00348
|
|
160 8D-2 -0.00379 -0.01077 0.01216 -0.01860 -0.00380
|
|
161 9D 0 1.32366 0.09868 -0.14756 -0.03423 0.27601
|
|
162 9D+1 -0.52708 0.04332 -0.36248 0.15515 -0.09149
|
|
163 9D-1 -0.24417 0.41537 0.05004 0.37874 0.35102
|
|
164 9D+2 -0.06503 -0.20017 -0.75813 0.69564 -0.38170
|
|
165 9D-2 0.25019 -0.28724 -0.50538 -0.40649 -0.31373
|
|
166 6 H 1S 0.03001 -0.04999 -0.03916 -0.05666 -0.06564
|
|
167 2S 1.19383 -2.92069 -1.95864 -5.01552 3.16156
|
|
168 3S 7.24671 -3.16776 -11.69699 -8.97250 3.95230
|
|
169 4S 0.77641 0.12542 -0.96585 -0.57244 0.31234
|
|
170 5PX 0.01909 -0.02287 -0.00306 0.02557 -0.00798
|
|
171 5PY 0.00858 0.01799 -0.00561 -0.01866 -0.00492
|
|
172 5PZ 0.01701 0.00821 -0.01604 0.02168 0.02712
|
|
173 6PX -0.48571 0.58986 0.32257 -0.06315 -0.28406
|
|
174 6PY -0.20786 0.01401 0.28029 0.78779 -0.34060
|
|
175 6PZ -0.05804 -0.85277 -0.20630 -1.32382 0.24183
|
|
176 7PX -1.24023 1.10549 -0.00521 0.82187 -1.14347
|
|
177 7PY -1.17793 -0.28385 0.94809 0.62514 -0.12789
|
|
178 7PZ 0.16862 -0.06234 -1.69599 -1.14043 0.10504
|
|
179 8D 0 0.04234 -0.04080 -0.01988 -0.03420 0.02316
|
|
180 8D+1 -0.00380 0.01769 0.03544 0.03740 0.00402
|
|
181 8D-1 -0.00611 0.03573 0.01467 0.02657 -0.00258
|
|
182 8D+2 -0.00182 0.00461 -0.01878 -0.01304 -0.00348
|
|
183 8D-2 0.00379 -0.01077 -0.01216 -0.01860 0.00380
|
|
184 9D 0 -1.32366 0.09868 0.14756 -0.03423 -0.27601
|
|
185 9D+1 -0.52708 -0.04332 -0.36248 -0.15515 -0.09149
|
|
186 9D-1 -0.24417 -0.41537 0.05004 -0.37874 0.35102
|
|
187 9D+2 0.06503 -0.20017 0.75813 0.69564 0.38170
|
|
188 9D-2 -0.25019 -0.28724 0.50538 -0.40649 0.31373
|
|
106 107 108 109 110
|
|
V V V V V
|
|
Eigenvalues -- 1.69387 1.70102 1.74185 1.75918 1.79836
|
|
1 1 C 1S -0.07093 -0.01196 0.00000 0.01265 -0.00438
|
|
2 2S -0.01975 0.00160 0.00000 -0.02837 0.01089
|
|
3 3S -0.50384 -0.07829 0.00000 0.05481 -0.04970
|
|
4 4S 34.79746 6.37396 0.00000 -5.81293 -1.26644
|
|
5 5S 4.75684 0.20455 0.00000 0.88749 -2.63629
|
|
6 6PX -0.03766 0.02600 0.00000 0.02735 0.01756
|
|
7 6PY 0.05755 0.02071 0.00000 -0.01347 -0.02485
|
|
8 6PZ 0.00000 0.00000 -0.01718 0.00000 0.00000
|
|
9 7PX 0.68335 -0.61577 0.00000 1.12921 -0.05835
|
|
10 7PY 1.82301 0.54052 0.00000 -0.46035 -0.47294
|
|
11 7PZ 0.00000 0.00000 -0.10104 0.00000 0.00000
|
|
12 8PX -1.16255 1.37401 0.00000 7.14321 1.69374
|
|
13 8PY -3.24474 1.11774 0.00000 0.86875 2.20352
|
|
14 8PZ 0.00000 0.00000 1.46478 0.00000 0.00000
|
|
15 9PX -0.26898 -0.36274 0.00000 1.04457 0.24094
|
|
16 9PY -0.17575 -0.01738 0.00000 -0.45877 0.71618
|
|
17 9PZ 0.00000 0.00000 0.04884 0.00000 0.00000
|
|
18 10D 0 -0.00444 0.00707 0.00000 0.00706 0.00140
|
|
19 10D+1 0.00000 0.00000 0.00973 0.00000 0.00000
|
|
20 10D-1 0.00000 0.00000 0.01276 0.00000 0.00000
|
|
21 10D+2 0.02004 -0.01166 0.00000 -0.01634 -0.03258
|
|
22 10D-2 -0.01197 0.01518 0.00000 -0.00766 0.00352
|
|
23 11D 0 0.80434 0.54366 0.00000 1.36787 1.08252
|
|
24 11D+1 0.00000 0.00000 1.45481 0.00000 0.00000
|
|
25 11D-1 0.00000 0.00000 1.88315 0.00000 0.00000
|
|
26 11D+2 -0.05115 -0.06727 0.00000 -1.60968 0.94547
|
|
27 11D-2 0.66511 1.02006 0.00000 1.25302 0.57664
|
|
28 12D 0 -1.15614 0.94655 0.00000 2.56138 2.35065
|
|
29 12D+1 0.00000 0.00000 1.68303 0.00000 0.00000
|
|
30 12D-1 0.00000 0.00000 3.69909 0.00000 0.00000
|
|
31 12D+2 -0.90472 -1.97244 0.00000 -1.03970 1.27668
|
|
32 12D-2 -0.09548 3.46291 0.00000 0.84177 1.02298
|
|
33 13F 0 0.00000 0.00000 -0.02744 0.00000 0.00000
|
|
34 13F+1 -0.00420 -0.04361 0.00000 -0.01809 0.06607
|
|
35 13F-1 -0.01738 0.08204 0.00000 0.06845 0.01082
|
|
36 13F+2 0.00000 0.00000 -0.05396 0.00000 0.00000
|
|
37 13F-2 0.00000 0.00000 0.11375 0.00000 0.00000
|
|
38 13F+3 -0.08805 0.01106 0.00000 -0.04827 -0.01141
|
|
39 13F-3 0.00881 -0.03032 0.00000 -0.05303 -0.09269
|
|
40 14F 0 0.00000 0.00000 1.03083 0.00000 0.00000
|
|
41 14F+1 2.53711 1.56081 0.00000 -0.31435 -0.86707
|
|
42 14F-1 2.43481 -1.03521 0.00000 -0.53846 -0.02689
|
|
43 14F+2 0.00000 0.00000 1.37644 0.00000 0.00000
|
|
44 14F-2 0.00000 0.00000 -0.98633 0.00000 0.00000
|
|
45 14F+3 1.12176 -0.29608 0.00000 2.11892 0.02469
|
|
46 14F-3 0.75884 0.36602 0.00000 0.21783 1.48767
|
|
47 2 S 1S -0.01863 0.00281 0.00000 -0.01517 -0.04753
|
|
48 2S -0.02205 0.06473 0.00000 -0.01120 -0.28586
|
|
49 3S -0.38527 0.19763 0.00000 -0.29794 -1.52606
|
|
50 4S -0.04804 0.17547 0.00000 -0.00952 -0.87524
|
|
51 5S -4.82702 -5.41829 0.00000 -1.94789 15.81271
|
|
52 6S -1.14850 -2.03375 0.00000 -0.09419 7.98558
|
|
53 7PX -0.03331 0.00284 0.00000 -0.03831 -0.04761
|
|
54 7PY -0.00307 0.06384 0.00000 -0.04431 -0.07425
|
|
55 7PZ 0.00000 0.00000 -0.01647 0.00000 0.00000
|
|
56 8PX 1.32287 -0.98350 0.00000 -0.29736 2.42660
|
|
57 8PY -2.16426 -0.23669 0.00000 0.30437 -0.65205
|
|
58 8PZ 0.00000 0.00000 0.34400 0.00000 0.00000
|
|
59 9PX -0.00212 0.02433 0.00000 0.08546 0.00910
|
|
60 9PY 0.04590 -0.11699 0.00000 0.08952 0.12701
|
|
61 9PZ 0.00000 0.00000 -0.00017 0.00000 0.00000
|
|
62 10PX 3.47525 -0.96345 0.00000 -0.93969 6.97919
|
|
63 10PY -7.24039 -1.15443 0.00000 3.73967 2.95224
|
|
64 10PZ 0.00000 0.00000 1.96939 0.00000 0.00000
|
|
65 11PX 0.08926 -0.07382 0.00000 0.21816 0.34180
|
|
66 11PY -0.35980 -0.25507 0.00000 0.00043 0.80701
|
|
67 11PZ 0.00000 0.00000 0.00555 0.00000 0.00000
|
|
68 12D 0 0.55346 0.28583 0.00000 0.25532 -1.76172
|
|
69 12D+1 0.00000 0.00000 -0.74381 0.00000 0.00000
|
|
70 12D-1 0.00000 0.00000 1.47729 0.00000 0.00000
|
|
71 12D+2 1.76128 -0.91485 0.00000 -0.15178 1.98385
|
|
72 12D-2 1.10874 -0.17346 0.00000 2.12340 -0.91626
|
|
73 13D 0 0.00283 -0.14501 0.00000 -0.08808 -0.03081
|
|
74 13D+1 0.00000 0.00000 -0.15374 0.00000 0.00000
|
|
75 13D-1 0.00000 0.00000 -0.00011 0.00000 0.00000
|
|
76 13D+2 -0.14702 0.00029 0.00000 0.11088 0.02511
|
|
77 13D-2 -0.12015 -0.07621 0.00000 0.17312 -0.07780
|
|
78 14D 0 0.00538 -0.13967 0.00000 -0.66064 -1.51151
|
|
79 14D+1 0.00000 0.00000 -0.87654 0.00000 0.00000
|
|
80 14D-1 0.00000 0.00000 1.07122 0.00000 0.00000
|
|
81 14D+2 1.79284 -0.40707 0.00000 -0.18620 0.69311
|
|
82 14D-2 -1.09143 0.10645 0.00000 1.43392 -0.44995
|
|
83 15F 0 0.00000 0.00000 0.02664 0.00000 0.00000
|
|
84 15F+1 -0.01325 0.05420 0.00000 -0.00197 -0.08499
|
|
85 15F-1 0.02920 0.07546 0.00000 0.03721 0.02789
|
|
86 15F+2 0.00000 0.00000 0.06905 0.00000 0.00000
|
|
87 15F-2 0.00000 0.00000 0.10591 0.00000 0.00000
|
|
88 15F+3 0.01018 0.03494 0.00000 -0.03515 0.10767
|
|
89 15F-3 0.08071 0.02623 0.00000 -0.10794 -0.08091
|
|
90 16F 0 0.00000 0.00000 -0.25737 0.00000 0.00000
|
|
91 16F+1 -0.56101 0.10189 0.00000 -0.01122 -0.51224
|
|
92 16F-1 0.28210 -0.40868 0.00000 -0.67378 -0.39047
|
|
93 16F+2 0.00000 0.00000 -1.07535 0.00000 0.00000
|
|
94 16F-2 0.00000 0.00000 -0.56382 0.00000 0.00000
|
|
95 16F+3 -0.00346 -0.55031 0.00000 -0.67229 1.02037
|
|
96 16F-3 -0.19905 -0.46880 0.00000 1.65083 -0.15060
|
|
97 3 H 1S -0.00278 0.07298 0.00000 0.06100 -0.08549
|
|
98 2S -1.38108 1.22047 0.00000 1.11080 -5.39975
|
|
99 3S -6.34371 5.69742 0.00000 3.78665 -10.69543
|
|
100 4S -0.12923 0.24685 0.00000 -0.31063 -0.36706
|
|
101 5PX -0.01786 0.02735 0.00000 0.02172 -0.09059
|
|
102 5PY 0.00214 -0.05205 0.00000 0.08935 0.01554
|
|
103 5PZ 0.00000 0.00000 -0.04213 0.00000 0.00000
|
|
104 6PX 0.74052 -1.05393 0.00000 -1.02430 2.96790
|
|
105 6PY -0.23002 1.30813 0.00000 -1.96967 -0.18289
|
|
106 6PZ 0.00000 0.00000 0.79984 0.00000 0.00000
|
|
107 7PX 1.73582 -1.23810 0.00000 -1.76985 2.61480
|
|
108 7PY 0.50728 1.92376 0.00000 -0.93312 0.21245
|
|
109 7PZ 0.00000 0.00000 0.57841 0.00000 0.00000
|
|
110 8D 0 0.01394 -0.00613 0.00000 0.00487 0.07168
|
|
111 8D+1 0.00000 0.00000 0.00376 0.00000 0.00000
|
|
112 8D-1 0.00000 0.00000 0.01275 0.00000 0.00000
|
|
113 8D+2 -0.01312 0.04549 0.00000 0.02059 -0.08125
|
|
114 8D-2 0.02924 0.00857 0.00000 0.00917 0.03521
|
|
115 9D 0 0.22027 -0.36276 0.00000 -0.14733 -0.08557
|
|
116 9D+1 0.00000 0.00000 -0.45140 0.00000 0.00000
|
|
117 9D-1 0.00000 0.00000 -0.03505 0.00000 0.00000
|
|
118 9D+2 0.01530 -0.30086 0.00000 0.43886 -0.57849
|
|
119 9D-2 0.03806 -0.78496 0.00000 0.67364 -0.30011
|
|
120 4 H 1S -0.12398 0.02413 0.00000 -0.10953 -0.03457
|
|
121 2S -4.21105 -1.12654 0.00000 5.83026 0.14965
|
|
122 3S -7.40956 4.28642 0.00000 8.60144 1.44733
|
|
123 4S -0.49155 -0.43060 0.00000 0.97518 0.11211
|
|
124 5PX 0.03760 0.01784 0.00000 0.06469 0.00465
|
|
125 5PY -0.01368 -0.02068 0.00000 0.03862 -0.00273
|
|
126 5PZ 0.00000 0.00000 0.00181 0.00000 0.00000
|
|
127 6PX -1.17295 -0.41623 0.00000 0.31407 -0.09664
|
|
128 6PY 0.30660 0.55957 0.00000 -1.74111 0.24340
|
|
129 6PZ 0.00000 0.00000 0.06639 0.00000 0.00000
|
|
130 7PX -1.37555 0.01667 0.00000 0.95072 0.53977
|
|
131 7PY 0.44769 1.46263 0.00000 -0.22755 1.83421
|
|
132 7PZ 0.00000 0.00000 0.40181 0.00000 0.00000
|
|
133 8D 0 0.02430 -0.00779 0.00000 -0.01964 -0.00713
|
|
134 8D+1 0.00000 0.00000 0.01378 0.00000 0.00000
|
|
135 8D-1 0.00000 0.00000 0.01084 0.00000 0.00000
|
|
136 8D+2 -0.04475 0.02190 0.00000 0.02258 -0.00071
|
|
137 8D-2 0.02410 0.00679 0.00000 -0.03318 -0.00788
|
|
138 9D 0 0.44543 0.74242 0.00000 0.45962 -0.51030
|
|
139 9D+1 0.00000 0.00000 0.23080 0.00000 0.00000
|
|
140 9D-1 0.00000 0.00000 -0.69254 0.00000 0.00000
|
|
141 9D+2 0.48440 -0.03489 0.00000 -0.11125 0.22630
|
|
142 9D-2 -0.19293 0.40788 0.00000 -0.04007 1.08499
|
|
143 5 H 1S 0.00754 0.03145 0.07264 -0.01032 -0.01298
|
|
144 2S -7.50971 -1.83702 -2.14972 -0.37588 -0.68002
|
|
145 3S -3.55366 -3.52442 -3.47565 -4.85362 -3.10699
|
|
146 4S -0.17096 0.21994 0.08461 -0.36406 -0.19844
|
|
147 5PX -0.01402 0.01670 0.02525 0.01824 0.00680
|
|
148 5PY -0.00993 -0.00253 0.00294 -0.00427 0.00743
|
|
149 5PZ 0.00658 0.00922 0.04863 0.01441 0.01035
|
|
150 6PX 1.06692 -0.15866 -0.13259 -0.24232 -0.06430
|
|
151 6PY 0.99009 0.25802 0.54627 0.53341 0.05237
|
|
152 6PZ 1.10801 0.08435 -0.24851 0.07122 0.10107
|
|
153 7PX 0.29046 0.90530 -0.15213 0.22185 0.21991
|
|
154 7PY -0.20973 -0.97923 -1.51084 0.85512 0.89265
|
|
155 7PZ 1.09591 0.68090 0.13897 -0.17688 -0.42174
|
|
156 8D 0 -0.01335 0.00098 -0.01500 -0.00461 -0.00526
|
|
157 8D+1 -0.03383 0.00158 -0.00970 -0.02387 -0.01168
|
|
158 8D-1 -0.02343 -0.01613 -0.01585 -0.00818 -0.01349
|
|
159 8D+2 -0.01068 0.00294 0.00466 -0.01724 0.00697
|
|
160 8D-2 -0.02044 0.00967 -0.01320 -0.01507 -0.00467
|
|
161 9D 0 0.00194 0.07878 0.04322 0.24144 0.19744
|
|
162 9D+1 -0.15466 -0.31319 0.43561 0.35075 0.62321
|
|
163 9D-1 -0.32716 0.80513 0.28940 0.04211 -0.07067
|
|
164 9D+2 -0.36485 0.40386 -0.33050 -0.01590 -0.42189
|
|
165 9D-2 0.66748 -0.42822 0.49907 0.19841 -0.48560
|
|
166 6 H 1S 0.00754 0.03145 -0.07264 -0.01032 -0.01298
|
|
167 2S -7.50971 -1.83702 2.14972 -0.37588 -0.68002
|
|
168 3S -3.55366 -3.52442 3.47565 -4.85362 -3.10699
|
|
169 4S -0.17096 0.21994 -0.08461 -0.36406 -0.19844
|
|
170 5PX -0.01402 0.01670 -0.02525 0.01824 0.00680
|
|
171 5PY -0.00993 -0.00253 -0.00294 -0.00427 0.00743
|
|
172 5PZ -0.00658 -0.00922 0.04863 -0.01441 -0.01035
|
|
173 6PX 1.06692 -0.15866 0.13259 -0.24232 -0.06430
|
|
174 6PY 0.99009 0.25802 -0.54627 0.53341 0.05237
|
|
175 6PZ -1.10801 -0.08435 -0.24851 -0.07122 -0.10107
|
|
176 7PX 0.29046 0.90530 0.15213 0.22185 0.21991
|
|
177 7PY -0.20973 -0.97923 1.51084 0.85512 0.89265
|
|
178 7PZ -1.09591 -0.68090 0.13897 0.17688 0.42174
|
|
179 8D 0 -0.01335 0.00098 0.01500 -0.00461 -0.00526
|
|
180 8D+1 0.03383 -0.00158 -0.00970 0.02387 0.01168
|
|
181 8D-1 0.02343 0.01613 -0.01585 0.00818 0.01349
|
|
182 8D+2 -0.01068 0.00294 -0.00466 -0.01724 0.00697
|
|
183 8D-2 -0.02044 0.00967 0.01320 -0.01507 -0.00467
|
|
184 9D 0 0.00194 0.07878 -0.04322 0.24144 0.19744
|
|
185 9D+1 0.15466 0.31319 0.43561 -0.35075 -0.62321
|
|
186 9D-1 0.32716 -0.80513 0.28940 -0.04211 0.07067
|
|
187 9D+2 -0.36485 0.40386 0.33050 -0.01590 -0.42189
|
|
188 9D-2 0.66748 -0.42822 -0.49907 0.19841 -0.48560
|
|
111 112 113 114 115
|
|
V V V V V
|
|
Eigenvalues -- 1.88406 1.92865 1.93442 1.98786 2.01344
|
|
1 1 C 1S -0.00436 0.00000 -0.00032 0.00000 0.00000
|
|
2 2S 0.03568 0.00000 -0.02176 0.00000 0.00000
|
|
3 3S -0.10829 0.00000 -0.03969 0.00000 0.00000
|
|
4 4S 6.78077 0.00000 -0.55262 0.00000 0.00000
|
|
5 5S 0.08283 0.00000 -0.38813 0.00000 0.00000
|
|
6 6PX -0.00825 0.00000 0.26976 0.00000 0.00000
|
|
7 6PY 0.10946 0.00000 0.00875 0.00000 0.00000
|
|
8 6PZ 0.00000 -0.22690 0.00000 -0.10151 -0.13971
|
|
9 7PX -0.71625 0.00000 4.91911 0.00000 0.00000
|
|
10 7PY 0.84883 0.00000 0.21310 0.00000 0.00000
|
|
11 7PZ 0.00000 -3.98370 0.00000 -2.62058 -3.98835
|
|
12 8PX -1.12212 0.00000 3.75874 0.00000 0.00000
|
|
13 8PY 5.82552 0.00000 1.57402 0.00000 0.00000
|
|
14 8PZ 0.00000 -3.70542 0.00000 -1.83707 -5.38457
|
|
15 9PX -0.02739 0.00000 0.24862 0.00000 0.00000
|
|
16 9PY 0.56114 0.00000 0.21944 0.00000 0.00000
|
|
17 9PZ 0.00000 -0.29154 0.00000 0.02601 0.01817
|
|
18 10D 0 -0.02651 0.00000 0.03015 0.00000 0.00000
|
|
19 10D+1 0.00000 -0.02392 0.00000 -0.01381 -0.02197
|
|
20 10D-1 0.00000 -0.03278 0.00000 -0.01093 -0.01652
|
|
21 10D+2 -0.02987 0.00000 -0.02045 0.00000 0.00000
|
|
22 10D-2 -0.00484 0.00000 0.03096 0.00000 0.00000
|
|
23 11D 0 0.28155 0.00000 0.59516 0.00000 0.00000
|
|
24 11D+1 0.00000 0.04519 0.00000 -1.06796 -2.31642
|
|
25 11D-1 0.00000 -0.20879 0.00000 -1.57519 -4.30122
|
|
26 11D+2 2.04513 0.00000 0.01966 0.00000 0.00000
|
|
27 11D-2 -0.22252 0.00000 1.07341 0.00000 0.00000
|
|
28 12D 0 0.03973 0.00000 -0.99079 0.00000 0.00000
|
|
29 12D+1 0.00000 1.16304 0.00000 0.47600 -1.37139
|
|
30 12D-1 0.00000 -2.24737 0.00000 -1.16062 -1.21927
|
|
31 12D+2 2.73068 0.00000 0.67151 0.00000 0.00000
|
|
32 12D-2 0.67385 0.00000 2.41122 0.00000 0.00000
|
|
33 13F 0 0.00000 0.02379 0.00000 0.01581 -0.06592
|
|
34 13F+1 0.07244 0.00000 0.00740 0.00000 0.00000
|
|
35 13F-1 -0.06069 0.00000 0.06497 0.00000 0.00000
|
|
36 13F+2 0.00000 0.05887 0.00000 -0.04188 -0.03731
|
|
37 13F-2 0.00000 -0.04320 0.00000 -0.07238 -0.11633
|
|
38 13F+3 -0.00075 0.00000 -0.01441 0.00000 0.00000
|
|
39 13F-3 -0.02357 0.00000 -0.04086 0.00000 0.00000
|
|
40 14F 0 0.00000 -0.74261 0.00000 -2.83345 2.10479
|
|
41 14F+1 -0.28597 0.00000 0.50013 0.00000 0.00000
|
|
42 14F-1 1.12266 0.00000 -0.78992 0.00000 0.00000
|
|
43 14F+2 0.00000 -2.46601 0.00000 2.55172 0.51293
|
|
44 14F-2 0.00000 1.12789 0.00000 0.15406 -1.40645
|
|
45 14F+3 -0.62809 0.00000 1.10820 0.00000 0.00000
|
|
46 14F-3 0.49293 0.00000 0.78152 0.00000 0.00000
|
|
47 2 S 1S -0.08231 0.00000 -0.00347 0.00000 0.00000
|
|
48 2S -0.26489 0.00000 -0.01115 0.00000 0.00000
|
|
49 3S -2.08778 0.00000 -0.09451 0.00000 0.00000
|
|
50 4S -0.53576 0.00000 -0.05944 0.00000 0.00000
|
|
51 5S -1.48266 0.00000 0.52567 0.00000 0.00000
|
|
52 6S 1.74339 0.00000 0.58468 0.00000 0.00000
|
|
53 7PX 0.01231 0.00000 -0.01766 0.00000 0.00000
|
|
54 7PY -0.06150 0.00000 0.01114 0.00000 0.00000
|
|
55 7PZ 0.00000 0.04667 0.00000 0.00163 0.00247
|
|
56 8PX -2.66591 0.00000 0.28113 0.00000 0.00000
|
|
57 8PY -0.17068 0.00000 -0.06857 0.00000 0.00000
|
|
58 8PZ 0.00000 -0.45844 0.00000 0.04239 0.30764
|
|
59 9PX 0.01145 0.00000 0.03805 0.00000 0.00000
|
|
60 9PY 0.07985 0.00000 -0.04277 0.00000 0.00000
|
|
61 9PZ 0.00000 -0.10291 0.00000 0.00730 0.00464
|
|
62 10PX -4.02572 0.00000 1.74574 0.00000 0.00000
|
|
63 10PY 7.12891 0.00000 1.43583 0.00000 0.00000
|
|
64 10PZ 0.00000 -2.23295 0.00000 -1.15330 -0.31457
|
|
65 11PX -0.29071 0.00000 0.08479 0.00000 0.00000
|
|
66 11PY 0.84764 0.00000 0.22029 0.00000 0.00000
|
|
67 11PZ 0.00000 -0.08348 0.00000 -0.11924 -0.12285
|
|
68 12D 0 0.97713 0.00000 -0.17685 0.00000 0.00000
|
|
69 12D+1 0.00000 0.19605 0.00000 -0.12121 0.23547
|
|
70 12D-1 0.00000 -1.01096 0.00000 -0.05321 0.07412
|
|
71 12D+2 -2.44322 0.00000 -0.10443 0.00000 0.00000
|
|
72 12D-2 -0.17721 0.00000 0.41055 0.00000 0.00000
|
|
73 13D 0 -0.38559 0.00000 -0.08232 0.00000 0.00000
|
|
74 13D+1 0.00000 0.15588 0.00000 0.15265 -0.38234
|
|
75 13D-1 0.00000 -0.13958 0.00000 -0.03646 -0.09338
|
|
76 13D+2 0.02685 0.00000 0.00566 0.00000 0.00000
|
|
77 13D-2 -0.04237 0.00000 0.15230 0.00000 0.00000
|
|
78 14D 0 -0.65977 0.00000 -0.04892 0.00000 0.00000
|
|
79 14D+1 0.00000 0.20031 0.00000 -0.26971 -0.03727
|
|
80 14D-1 0.00000 -1.11300 0.00000 -0.26191 -0.35534
|
|
81 14D+2 -2.26960 0.00000 -0.44912 0.00000 0.00000
|
|
82 14D-2 0.53301 0.00000 1.22890 0.00000 0.00000
|
|
83 15F 0 0.00000 0.07546 0.00000 -0.12717 -0.10250
|
|
84 15F+1 -0.04052 0.00000 -0.01601 0.00000 0.00000
|
|
85 15F-1 -0.07211 0.00000 0.03013 0.00000 0.00000
|
|
86 15F+2 0.00000 0.06056 0.00000 0.02416 -0.23331
|
|
87 15F-2 0.00000 -0.06295 0.00000 -0.00963 0.05647
|
|
88 15F+3 -0.01831 0.00000 0.02987 0.00000 0.00000
|
|
89 15F-3 0.06894 0.00000 0.04161 0.00000 0.00000
|
|
90 16F 0 0.00000 0.17447 0.00000 0.48431 0.06213
|
|
91 16F+1 0.26075 0.00000 -0.00835 0.00000 0.00000
|
|
92 16F-1 0.02776 0.00000 -0.29239 0.00000 0.00000
|
|
93 16F+2 0.00000 0.58383 0.00000 -0.10779 0.45231
|
|
94 16F-2 0.00000 0.30654 0.00000 0.28879 -0.31869
|
|
95 16F+3 -0.49113 0.00000 -0.40141 0.00000 0.00000
|
|
96 16F-3 -0.90058 0.00000 0.02484 0.00000 0.00000
|
|
97 3 H 1S 0.13673 0.00000 0.05408 0.00000 0.00000
|
|
98 2S 2.51223 0.00000 -0.20904 0.00000 0.00000
|
|
99 3S 10.31892 0.00000 1.51466 0.00000 0.00000
|
|
100 4S 0.78017 0.00000 0.20879 0.00000 0.00000
|
|
101 5PX 0.07888 0.00000 -0.00039 0.00000 0.00000
|
|
102 5PY -0.02464 0.00000 0.00502 0.00000 0.00000
|
|
103 5PZ 0.00000 0.01899 0.00000 -0.00709 -0.01486
|
|
104 6PX -2.46801 0.00000 -0.00011 0.00000 0.00000
|
|
105 6PY 0.80518 0.00000 0.17698 0.00000 0.00000
|
|
106 6PZ 0.00000 -0.23226 0.00000 0.16109 -0.13426
|
|
107 7PX -3.80810 0.00000 -0.43093 0.00000 0.00000
|
|
108 7PY 0.67919 0.00000 0.20844 0.00000 0.00000
|
|
109 7PZ 0.00000 -0.28387 0.00000 0.33345 -0.07455
|
|
110 8D 0 -0.02878 0.00000 0.01116 0.00000 0.00000
|
|
111 8D+1 0.00000 -0.00381 0.00000 -0.01847 0.02843
|
|
112 8D-1 0.00000 -0.01885 0.00000 0.02351 -0.01457
|
|
113 8D+2 0.00117 0.00000 0.01662 0.00000 0.00000
|
|
114 8D-2 -0.01725 0.00000 0.00937 0.00000 0.00000
|
|
115 9D 0 -0.49693 0.00000 -0.17791 0.00000 0.00000
|
|
116 9D+1 0.00000 0.08771 0.00000 -0.06538 -0.00083
|
|
117 9D-1 0.00000 -0.02256 0.00000 -0.39461 0.16738
|
|
118 9D+2 0.92875 0.00000 -0.29880 0.00000 0.00000
|
|
119 9D-2 -0.54121 0.00000 -0.15758 0.00000 0.00000
|
|
120 4 H 1S -0.02009 0.00000 0.13696 0.00000 0.00000
|
|
121 2S -3.60481 0.00000 3.04709 0.00000 0.00000
|
|
122 3S -6.71128 0.00000 11.00643 0.00000 0.00000
|
|
123 4S -0.24391 0.00000 0.76197 0.00000 0.00000
|
|
124 5PX -0.00228 0.00000 -0.09592 0.00000 0.00000
|
|
125 5PY -0.00280 0.00000 0.05420 0.00000 0.00000
|
|
126 5PZ 0.00000 -0.07826 0.00000 0.06336 -0.02855
|
|
127 6PX -1.10319 0.00000 3.44749 0.00000 0.00000
|
|
128 6PY 0.66939 0.00000 -1.80914 0.00000 0.00000
|
|
129 6PZ 0.00000 2.13166 0.00000 -2.98168 0.32061
|
|
130 7PX -0.73401 0.00000 4.37920 0.00000 0.00000
|
|
131 7PY 1.26352 0.00000 -0.32707 0.00000 0.00000
|
|
132 7PZ 0.00000 1.32701 0.00000 -0.47589 -0.90554
|
|
133 8D 0 0.03003 0.00000 -0.06197 0.00000 0.00000
|
|
134 8D+1 0.00000 0.03549 0.00000 -0.02110 0.00477
|
|
135 8D-1 0.00000 -0.00159 0.00000 0.02382 0.00510
|
|
136 8D+2 -0.01544 0.00000 0.07212 0.00000 0.00000
|
|
137 8D-2 0.04507 0.00000 -0.05715 0.00000 0.00000
|
|
138 9D 0 -0.57994 0.00000 -0.41626 0.00000 0.00000
|
|
139 9D+1 0.00000 0.59914 0.00000 -0.52438 -0.16026
|
|
140 9D-1 0.00000 -0.34054 0.00000 0.96771 0.07610
|
|
141 9D+2 -0.22231 0.00000 1.19130 0.00000 0.00000
|
|
142 9D-2 0.27811 0.00000 -0.88489 0.00000 0.00000
|
|
143 5 H 1S -0.02506 0.08925 -0.04586 0.01728 0.00345
|
|
144 2S -1.58085 1.74756 -1.85553 2.85415 6.35751
|
|
145 3S -4.03440 8.76209 -6.19221 4.46651 9.84306
|
|
146 4S -0.34573 0.59286 -0.47828 0.18930 0.25992
|
|
147 5PX -0.00236 0.03320 0.02893 0.07935 -0.00280
|
|
148 5PY 0.01013 0.07771 -0.02967 -0.00397 -0.05853
|
|
149 5PZ -0.00966 0.04019 -0.05320 -0.01684 0.03964
|
|
150 6PX 0.15852 -0.75649 -0.16613 -3.44725 -0.69732
|
|
151 6PY 0.01290 -2.58993 1.18647 -0.25695 1.33627
|
|
152 6PZ 0.44223 -1.45392 1.90339 -0.39879 -4.07502
|
|
153 7PX -0.60771 -1.81553 0.25773 -1.52598 -0.80938
|
|
154 7PY 1.19036 -0.73170 0.47425 0.01118 0.03040
|
|
155 7PZ 0.83333 -2.58501 2.40189 -1.17573 -2.93751
|
|
156 8D 0 -0.00335 0.01864 -0.04599 0.01209 0.07623
|
|
157 8D+1 -0.00160 0.04666 -0.02430 0.05712 0.06997
|
|
158 8D-1 -0.00824 0.05731 -0.03371 0.01665 0.03152
|
|
159 8D+2 0.00213 -0.00435 0.01851 0.01238 0.00892
|
|
160 8D-2 -0.00343 0.02293 -0.02030 0.02582 0.00391
|
|
161 9D 0 0.14200 0.28561 -0.51366 0.11951 0.93165
|
|
162 9D+1 0.49774 0.26610 -0.09437 0.66818 0.74128
|
|
163 9D-1 -0.39517 1.03980 -0.51663 -0.20894 -0.20031
|
|
164 9D+2 -0.06567 0.26837 0.07669 0.16464 0.22746
|
|
165 9D-2 -0.10645 0.48061 -0.23829 0.68122 -0.65293
|
|
166 6 H 1S -0.02506 -0.08925 -0.04586 -0.01728 -0.00345
|
|
167 2S -1.58085 -1.74756 -1.85553 -2.85415 -6.35751
|
|
168 3S -4.03440 -8.76209 -6.19221 -4.46651 -9.84306
|
|
169 4S -0.34573 -0.59286 -0.47828 -0.18930 -0.25992
|
|
170 5PX -0.00236 -0.03320 0.02893 -0.07935 0.00280
|
|
171 5PY 0.01013 -0.07771 -0.02967 0.00397 0.05853
|
|
172 5PZ 0.00966 0.04019 0.05320 -0.01684 0.03964
|
|
173 6PX 0.15852 0.75649 -0.16613 3.44725 0.69732
|
|
174 6PY 0.01290 2.58993 1.18647 0.25695 -1.33627
|
|
175 6PZ -0.44223 -1.45392 -1.90339 -0.39879 -4.07502
|
|
176 7PX -0.60771 1.81553 0.25773 1.52598 0.80938
|
|
177 7PY 1.19036 0.73170 0.47425 -0.01118 -0.03040
|
|
178 7PZ -0.83333 -2.58501 -2.40189 -1.17573 -2.93751
|
|
179 8D 0 -0.00335 -0.01864 -0.04599 -0.01209 -0.07623
|
|
180 8D+1 0.00160 0.04666 0.02430 0.05712 0.06997
|
|
181 8D-1 0.00824 0.05731 0.03371 0.01665 0.03152
|
|
182 8D+2 0.00213 0.00435 0.01851 -0.01238 -0.00892
|
|
183 8D-2 -0.00343 -0.02293 -0.02030 -0.02582 -0.00391
|
|
184 9D 0 0.14200 -0.28561 -0.51366 -0.11951 -0.93165
|
|
185 9D+1 -0.49774 0.26610 0.09437 0.66818 0.74128
|
|
186 9D-1 0.39517 1.03980 0.51663 -0.20894 -0.20031
|
|
187 9D+2 -0.06567 -0.26837 0.07669 -0.16464 -0.22746
|
|
188 9D-2 -0.10645 -0.48061 -0.23829 -0.68122 0.65293
|
|
116 117 118 119 120
|
|
V V V V V
|
|
Eigenvalues -- 2.06644 2.12895 2.15217 2.17803 2.18266
|
|
1 1 C 1S 0.00062 0.00639 0.00000 0.00000 0.00056
|
|
2 2S 0.12801 -0.26754 0.00000 0.00000 0.19689
|
|
3 3S 0.23889 -0.42123 0.00000 0.00000 0.31238
|
|
4 4S -5.40433 9.53215 0.00000 0.00000 -7.64872
|
|
5 5S 0.81987 -0.72488 0.00000 0.00000 -1.34874
|
|
6 6PX 0.08870 0.03155 0.00000 0.00000 0.03925
|
|
7 6PY 0.03421 -0.03323 0.00000 0.00000 0.02236
|
|
8 6PZ 0.00000 0.00000 0.01365 -0.03701 0.00000
|
|
9 7PX 3.40561 2.21217 0.00000 0.00000 3.36292
|
|
10 7PY 0.13855 0.65509 0.00000 0.00000 0.18178
|
|
11 7PZ 0.00000 0.00000 -0.92219 -4.12784 0.00000
|
|
12 8PX 7.03272 3.77250 0.00000 0.00000 2.68768
|
|
13 8PY -0.54297 -0.17821 0.00000 0.00000 1.68998
|
|
14 8PZ 0.00000 0.00000 2.11827 -4.40050 0.00000
|
|
15 9PX 0.06107 0.01881 0.00000 0.00000 -0.82531
|
|
16 9PY -0.07188 -0.15477 0.00000 0.00000 0.42364
|
|
17 9PZ 0.00000 0.00000 0.28372 0.87286 0.00000
|
|
18 10D 0 0.01354 -0.00991 0.00000 0.00000 0.00064
|
|
19 10D+1 0.00000 0.00000 -0.00144 -0.00586 0.00000
|
|
20 10D-1 0.00000 0.00000 -0.00784 -0.00878 0.00000
|
|
21 10D+2 -0.01494 -0.01617 0.00000 0.00000 -0.02533
|
|
22 10D-2 0.00261 0.00651 0.00000 0.00000 -0.00259
|
|
23 11D 0 1.68045 4.87192 0.00000 0.00000 4.28956
|
|
24 11D+1 0.00000 0.00000 -1.76505 -6.95981 0.00000
|
|
25 11D-1 0.00000 0.00000 1.05252 -1.09153 0.00000
|
|
26 11D+2 -3.99417 2.03427 0.00000 0.00000 -4.00100
|
|
27 11D-2 3.99463 2.33538 0.00000 0.00000 -0.66049
|
|
28 12D 0 1.04975 1.76672 0.00000 0.00000 2.73211
|
|
29 12D+1 0.00000 0.00000 -1.07344 -3.43704 0.00000
|
|
30 12D-1 0.00000 0.00000 0.94840 1.18475 0.00000
|
|
31 12D+2 -1.38394 -0.16945 0.00000 0.00000 -1.16021
|
|
32 12D-2 0.31301 -0.66477 0.00000 0.00000 -1.11895
|
|
33 13F 0 0.00000 0.00000 0.00068 -0.04415 0.00000
|
|
34 13F+1 -0.05935 0.11136 0.00000 0.00000 -0.06485
|
|
35 13F-1 0.07162 0.07411 0.00000 0.00000 0.04149
|
|
36 13F+2 0.00000 0.00000 -0.00861 -0.01757 0.00000
|
|
37 13F-2 0.00000 0.00000 -0.02240 -0.14376 0.00000
|
|
38 13F+3 0.11610 0.02336 0.00000 0.00000 0.07072
|
|
39 13F-3 -0.07980 -0.02137 0.00000 0.00000 -0.11078
|
|
40 14F 0 0.00000 0.00000 -1.26887 0.31358 0.00000
|
|
41 14F+1 -1.69117 1.97042 0.00000 0.00000 -0.84773
|
|
42 14F-1 1.83383 1.03338 0.00000 0.00000 0.72508
|
|
43 14F+2 0.00000 0.00000 -0.51059 -0.37797 0.00000
|
|
44 14F-2 0.00000 0.00000 0.82518 -2.22728 0.00000
|
|
45 14F+3 -1.24231 -0.74066 0.00000 0.00000 1.05662
|
|
46 14F-3 -1.49519 -1.73498 0.00000 0.00000 -0.19173
|
|
47 2 S 1S -0.00916 0.00427 0.00000 0.00000 -0.02571
|
|
48 2S -0.02677 0.08294 0.00000 0.00000 -0.05968
|
|
49 3S -0.21235 0.21206 0.00000 0.00000 -0.64694
|
|
50 4S 0.03584 -0.07051 0.00000 0.00000 -0.30812
|
|
51 5S -0.66070 -3.85538 0.00000 0.00000 2.73357
|
|
52 6S -0.87959 -0.19819 0.00000 0.00000 1.74365
|
|
53 7PX -0.03160 0.00351 0.00000 0.00000 -0.03538
|
|
54 7PY -0.05262 0.06129 0.00000 0.00000 -0.05773
|
|
55 7PZ 0.00000 0.00000 -0.03311 -0.01052 0.00000
|
|
56 8PX -0.43280 -1.15644 0.00000 0.00000 -0.05338
|
|
57 8PY -0.59207 1.55687 0.00000 0.00000 -0.57070
|
|
58 8PZ 0.00000 0.00000 -0.16854 -0.05392 0.00000
|
|
59 9PX 0.06094 -0.00860 0.00000 0.00000 0.10189
|
|
60 9PY 0.17908 -0.21451 0.00000 0.00000 0.14279
|
|
61 9PZ 0.00000 0.00000 0.07138 0.02768 0.00000
|
|
62 10PX 0.61123 -4.42938 0.00000 0.00000 0.50838
|
|
63 10PY -1.30849 3.61434 0.00000 0.00000 1.31266
|
|
64 10PZ 0.00000 0.00000 0.34540 0.80755 0.00000
|
|
65 11PX 0.01265 -0.24629 0.00000 0.00000 0.05824
|
|
66 11PY -0.15555 0.44655 0.00000 0.00000 0.24788
|
|
67 11PZ 0.00000 0.00000 -0.10236 -0.22370 0.00000
|
|
68 12D 0 0.66026 -0.49346 0.00000 0.00000 -0.50246
|
|
69 12D+1 0.00000 0.00000 1.91453 -0.70348 0.00000
|
|
70 12D-1 0.00000 0.00000 -0.48233 -0.07522 0.00000
|
|
71 12D+2 0.67725 -2.56244 0.00000 0.00000 0.34163
|
|
72 12D-2 -0.07260 0.87893 0.00000 0.00000 -0.01419
|
|
73 13D 0 -0.08794 0.44654 0.00000 0.00000 0.35831
|
|
74 13D+1 0.00000 0.00000 -1.10538 0.45709 0.00000
|
|
75 13D-1 0.00000 0.00000 0.14118 0.12152 0.00000
|
|
76 13D+2 -0.02391 0.09828 0.00000 0.00000 -0.05960
|
|
77 13D-2 0.15951 -0.06035 0.00000 0.00000 -0.30623
|
|
78 14D 0 0.12023 0.02461 0.00000 0.00000 -0.30732
|
|
79 14D+1 0.00000 0.00000 -0.26830 0.45910 0.00000
|
|
80 14D-1 0.00000 0.00000 0.14804 0.23511 0.00000
|
|
81 14D+2 0.33529 -1.57974 0.00000 0.00000 -0.22107
|
|
82 14D-2 0.20348 0.00150 0.00000 0.00000 -0.33341
|
|
83 15F 0 0.00000 0.00000 0.21371 0.03416 0.00000
|
|
84 15F+1 0.05677 0.16791 0.00000 0.00000 -0.25396
|
|
85 15F-1 -0.14755 0.10994 0.00000 0.00000 0.09845
|
|
86 15F+2 0.00000 0.00000 -0.04988 0.15601 0.00000
|
|
87 15F-2 0.00000 0.00000 -0.23581 -0.09393 0.00000
|
|
88 15F+3 0.19450 0.02534 0.00000 0.00000 -0.13080
|
|
89 15F-3 -0.02064 0.00618 0.00000 0.00000 -0.15682
|
|
90 16F 0 0.00000 0.00000 -0.25085 -0.04500 0.00000
|
|
91 16F+1 -0.14829 0.00006 0.00000 0.00000 0.08597
|
|
92 16F-1 0.60052 -0.53504 0.00000 0.00000 -0.12832
|
|
93 16F+2 0.00000 0.00000 0.36810 -0.08371 0.00000
|
|
94 16F-2 0.00000 0.00000 0.63317 -0.15165 0.00000
|
|
95 16F+3 -0.32165 -0.82583 0.00000 0.00000 0.15706
|
|
96 16F-3 0.25052 -0.57931 0.00000 0.00000 0.09691
|
|
97 3 H 1S -0.02431 -0.03741 0.00000 0.00000 0.11504
|
|
98 2S 0.00753 2.64405 0.00000 0.00000 -0.95850
|
|
99 3S -1.59841 6.56065 0.00000 0.00000 0.14942
|
|
100 4S -0.04883 0.38824 0.00000 0.00000 0.22013
|
|
101 5PX -0.00353 0.03975 0.00000 0.00000 0.01717
|
|
102 5PY 0.03810 -0.00191 0.00000 0.00000 -0.01440
|
|
103 5PZ 0.00000 0.00000 -0.02218 0.02100 0.00000
|
|
104 6PX 0.02686 -1.47494 0.00000 0.00000 0.02425
|
|
105 6PY -0.46153 -0.27467 0.00000 0.00000 0.21580
|
|
106 6PZ 0.00000 0.00000 -0.73247 0.08609 0.00000
|
|
107 7PX 0.43511 -2.00357 0.00000 0.00000 -0.00565
|
|
108 7PY -0.58207 -0.06888 0.00000 0.00000 0.74735
|
|
109 7PZ 0.00000 0.00000 -0.04427 -0.21282 0.00000
|
|
110 8D 0 0.01310 -0.01792 0.00000 0.00000 0.00673
|
|
111 8D+1 0.00000 0.00000 0.08496 -0.03478 0.00000
|
|
112 8D-1 0.00000 0.00000 -0.01741 0.00196 0.00000
|
|
113 8D+2 -0.02426 0.01225 0.00000 0.00000 -0.01625
|
|
114 8D-2 -0.00936 -0.01537 0.00000 0.00000 0.04085
|
|
115 9D 0 0.10294 0.17626 0.00000 0.00000 -0.21536
|
|
116 9D+1 0.00000 0.00000 0.22021 0.05044 0.00000
|
|
117 9D-1 0.00000 0.00000 -0.18282 0.12899 0.00000
|
|
118 9D+2 0.42669 0.75805 0.00000 0.00000 -0.10167
|
|
119 9D-2 0.15144 0.13404 0.00000 0.00000 -0.49036
|
|
120 4 H 1S -0.12225 0.00084 0.00000 0.00000 -0.10679
|
|
121 2S 10.66243 1.66866 0.00000 0.00000 9.22048
|
|
122 3S 12.84854 3.93434 0.00000 0.00000 9.51660
|
|
123 4S 0.18195 0.11030 0.00000 0.00000 -0.50867
|
|
124 5PX 0.03294 -0.04618 0.00000 0.00000 0.06957
|
|
125 5PY -0.06692 -0.07787 0.00000 0.00000 0.05445
|
|
126 5PZ 0.00000 0.00000 0.03905 0.09161 0.00000
|
|
127 6PX 4.21600 2.28257 0.00000 0.00000 2.85727
|
|
128 6PY 1.34100 2.80006 0.00000 0.00000 -3.00891
|
|
129 6PZ 0.00000 0.00000 -1.30970 -3.22224 0.00000
|
|
130 7PX 3.34342 1.25753 0.00000 0.00000 2.41719
|
|
131 7PY -0.47489 0.56779 0.00000 0.00000 -1.91159
|
|
132 7PZ 0.00000 0.00000 -1.42603 -3.11699 0.00000
|
|
133 8D 0 -0.07698 -0.00136 0.00000 0.00000 -0.05851
|
|
134 8D+1 0.00000 0.00000 -0.01740 -0.06039 0.00000
|
|
135 8D-1 0.00000 0.00000 0.00146 0.02498 0.00000
|
|
136 8D+2 0.10341 0.04060 0.00000 0.00000 0.07445
|
|
137 8D-2 -0.03323 0.03148 0.00000 0.00000 -0.07726
|
|
138 9D 0 -0.65558 -0.13165 0.00000 0.00000 -0.54555
|
|
139 9D+1 0.00000 0.00000 -0.50627 -1.70033 0.00000
|
|
140 9D-1 0.00000 0.00000 0.31911 -0.05522 0.00000
|
|
141 9D+2 0.45190 1.18859 0.00000 0.00000 -0.10392
|
|
142 9D-2 0.76409 0.79985 0.00000 0.00000 -0.88082
|
|
143 5 H 1S -0.04803 0.08809 0.00062 -0.11233 -0.01839
|
|
144 2S -1.92948 -7.31743 0.68851 8.39156 -1.47653
|
|
145 3S -4.38220 -5.10641 -0.66335 9.07054 -3.94358
|
|
146 4S -0.10925 -0.06750 -0.06644 -0.39243 0.13544
|
|
147 5PX -0.03737 0.01313 -0.01319 -0.07472 -0.07302
|
|
148 5PY 0.05765 -0.02130 0.04429 0.00508 -0.01070
|
|
149 5PZ -0.03615 0.07251 -0.01153 -0.00658 0.01923
|
|
150 6PX 2.06793 1.52263 -0.09131 0.62368 2.73219
|
|
151 6PY -1.91339 2.23163 -1.74750 -1.54475 0.56458
|
|
152 6PZ 1.37544 0.51735 -0.01968 -3.86416 -0.10023
|
|
153 7PX 1.61442 1.34236 0.56795 0.50814 2.65754
|
|
154 7PY -0.45945 1.56071 -0.73654 -1.80489 1.07339
|
|
155 7PZ 0.75404 0.15725 0.00408 -2.91590 -0.28379
|
|
156 8D 0 -0.02103 -0.01112 -0.00131 0.07295 0.02275
|
|
157 8D+1 -0.03805 -0.05529 0.00231 0.03138 -0.02345
|
|
158 8D-1 0.02038 -0.05018 0.03552 0.05715 -0.00203
|
|
159 8D+2 -0.02826 0.00729 -0.01455 -0.00855 -0.02219
|
|
160 8D-2 -0.00712 -0.04091 0.01823 0.01301 -0.01949
|
|
161 9D 0 -0.35135 0.78554 0.05547 0.91992 0.64358
|
|
162 9D+1 -0.82409 -0.27514 -0.10056 -0.02140 -0.92162
|
|
163 9D-1 0.65456 -0.29649 0.45873 0.60837 -0.23565
|
|
164 9D+2 -0.64322 0.47840 -0.16567 -0.60643 -0.56171
|
|
165 9D-2 0.04486 -0.11459 0.33022 -0.00771 -0.45043
|
|
166 6 H 1S -0.04803 0.08809 -0.00062 0.11233 -0.01839
|
|
167 2S -1.92948 -7.31743 -0.68851 -8.39156 -1.47653
|
|
168 3S -4.38220 -5.10641 0.66335 -9.07054 -3.94358
|
|
169 4S -0.10925 -0.06750 0.06644 0.39243 0.13544
|
|
170 5PX -0.03737 0.01313 0.01319 0.07472 -0.07302
|
|
171 5PY 0.05765 -0.02130 -0.04429 -0.00508 -0.01070
|
|
172 5PZ 0.03615 -0.07251 -0.01153 -0.00658 -0.01923
|
|
173 6PX 2.06793 1.52263 0.09131 -0.62368 2.73219
|
|
174 6PY -1.91339 2.23163 1.74750 1.54475 0.56458
|
|
175 6PZ -1.37544 -0.51735 -0.01968 -3.86416 0.10023
|
|
176 7PX 1.61442 1.34236 -0.56795 -0.50814 2.65754
|
|
177 7PY -0.45945 1.56071 0.73654 1.80489 1.07339
|
|
178 7PZ -0.75404 -0.15725 0.00408 -2.91590 0.28379
|
|
179 8D 0 -0.02103 -0.01112 0.00131 -0.07295 0.02275
|
|
180 8D+1 0.03805 0.05529 0.00231 0.03138 0.02345
|
|
181 8D-1 -0.02038 0.05018 0.03552 0.05715 0.00203
|
|
182 8D+2 -0.02826 0.00729 0.01455 0.00855 -0.02219
|
|
183 8D-2 -0.00712 -0.04091 -0.01823 -0.01301 -0.01949
|
|
184 9D 0 -0.35135 0.78554 -0.05547 -0.91992 0.64358
|
|
185 9D+1 0.82409 0.27514 -0.10056 -0.02140 0.92162
|
|
186 9D-1 -0.65456 0.29649 0.45873 0.60837 0.23565
|
|
187 9D+2 -0.64322 0.47840 0.16567 0.60643 -0.56171
|
|
188 9D-2 0.04486 -0.11459 -0.33022 0.00771 -0.45043
|
|
121 122 123 124 125
|
|
V V V V V
|
|
Eigenvalues -- 2.21032 2.28604 2.34765 2.38686 2.45092
|
|
1 1 C 1S -0.00394 0.00000 0.02850 -0.01737 0.00000
|
|
2 2S -0.22923 0.00000 -0.81428 0.25830 0.00000
|
|
3 3S -0.37531 0.00000 -0.96862 0.24719 0.00000
|
|
4 4S 10.52029 0.00000 11.34191 -1.97255 0.00000
|
|
5 5S 1.88689 0.00000 3.08161 -0.85835 0.00000
|
|
6 6PX 0.01646 0.00000 0.00108 0.03275 0.00000
|
|
7 6PY -0.02435 0.00000 0.03068 -0.00687 0.00000
|
|
8 6PZ 0.00000 0.01951 0.00000 0.00000 -0.02811
|
|
9 7PX 1.64901 0.00000 0.16898 -0.72527 0.00000
|
|
10 7PY 0.03405 0.00000 -1.14133 0.28083 0.00000
|
|
11 7PZ 0.00000 -0.32098 0.00000 0.00000 -0.32145
|
|
12 8PX 3.22399 0.00000 1.41943 6.88715 0.00000
|
|
13 8PY -2.15781 0.00000 -3.48483 1.33274 0.00000
|
|
14 8PZ 0.00000 4.73587 0.00000 0.00000 -6.32033
|
|
15 9PX -0.61613 0.00000 -0.10778 0.21508 0.00000
|
|
16 9PY -0.79860 0.00000 -0.40600 0.12847 0.00000
|
|
17 9PZ 0.00000 0.20827 0.00000 0.00000 -0.32254
|
|
18 10D 0 0.01935 0.00000 0.04348 0.05406 0.00000
|
|
19 10D+1 0.00000 0.02974 0.00000 0.00000 -0.04961
|
|
20 10D-1 0.00000 0.02474 0.00000 0.00000 0.02979
|
|
21 10D+2 0.03728 0.00000 0.05974 -0.01221 0.00000
|
|
22 10D-2 0.02108 0.00000 -0.00082 -0.01534 0.00000
|
|
23 11D 0 3.59270 0.00000 0.13601 0.46954 0.00000
|
|
24 11D+1 0.00000 1.00016 0.00000 0.00000 -0.82207
|
|
25 11D-1 0.00000 -0.96458 0.00000 0.00000 -0.76010
|
|
26 11D+2 -1.36851 0.00000 -0.52046 -0.05945 0.00000
|
|
27 11D-2 -0.21550 0.00000 0.34317 -1.09175 0.00000
|
|
28 12D 0 2.16910 0.00000 1.43934 2.16530 0.00000
|
|
29 12D+1 0.00000 1.95804 0.00000 0.00000 -1.51280
|
|
30 12D-1 0.00000 -2.44188 0.00000 0.00000 -0.37177
|
|
31 12D+2 -1.33598 0.00000 -1.01037 -1.10885 0.00000
|
|
32 12D-2 -1.75598 0.00000 0.30256 -1.57567 0.00000
|
|
33 13F 0 0.00000 -0.02982 0.00000 0.00000 0.07470
|
|
34 13F+1 0.08605 0.00000 0.12784 -0.03237 0.00000
|
|
35 13F-1 0.11833 0.00000 0.13190 -0.05507 0.00000
|
|
36 13F+2 0.00000 -0.04526 0.00000 0.00000 0.05427
|
|
37 13F-2 0.00000 -0.01479 0.00000 0.00000 -0.01799
|
|
38 13F+3 -0.01108 0.00000 -0.04217 -0.04201 0.00000
|
|
39 13F-3 0.04708 0.00000 0.15342 -0.01498 0.00000
|
|
40 14F 0 0.00000 0.27151 0.00000 0.00000 -0.04597
|
|
41 14F+1 0.56564 0.00000 0.18133 0.07887 0.00000
|
|
42 14F-1 1.42046 0.00000 0.29086 0.16803 0.00000
|
|
43 14F+2 0.00000 0.04885 0.00000 0.00000 0.46009
|
|
44 14F-2 0.00000 0.45926 0.00000 0.00000 -0.31175
|
|
45 14F+3 0.26850 0.00000 -0.32868 -0.25629 0.00000
|
|
46 14F-3 -0.78834 0.00000 0.25546 -0.15507 0.00000
|
|
47 2 S 1S 0.03308 0.00000 0.01621 -0.01895 0.00000
|
|
48 2S 0.04276 0.00000 0.05153 -0.05067 0.00000
|
|
49 3S 0.79042 0.00000 0.43420 -0.51881 0.00000
|
|
50 4S 0.48908 0.00000 0.15657 -0.37785 0.00000
|
|
51 5S -2.74292 0.00000 -0.71627 2.78178 0.00000
|
|
52 6S -2.49198 0.00000 -3.01254 0.65578 0.00000
|
|
53 7PX 0.10002 0.00000 -0.07030 -0.03702 0.00000
|
|
54 7PY 0.07699 0.00000 0.15194 0.02197 0.00000
|
|
55 7PZ 0.00000 0.13388 0.00000 0.00000 0.30362
|
|
56 8PX 0.55653 0.00000 0.28591 0.20262 0.00000
|
|
57 8PY 0.15449 0.00000 0.23238 -0.07210 0.00000
|
|
58 8PZ 0.00000 0.61807 0.00000 0.00000 1.02072
|
|
59 9PX -0.24277 0.00000 0.15065 0.10027 0.00000
|
|
60 9PY -0.19745 0.00000 -0.35713 -0.07019 0.00000
|
|
61 9PZ 0.00000 -0.37885 0.00000 0.00000 -0.92523
|
|
62 10PX -1.48905 0.00000 5.62739 -2.31561 0.00000
|
|
63 10PY -4.58419 0.00000 -9.11695 1.59858 0.00000
|
|
64 10PZ 0.00000 -2.98844 0.00000 0.00000 0.12106
|
|
65 11PX 0.66300 0.00000 0.19291 -0.14116 0.00000
|
|
66 11PY -0.75652 0.00000 -0.85121 0.14774 0.00000
|
|
67 11PZ 0.00000 0.17401 0.00000 0.00000 0.17421
|
|
68 12D 0 1.44458 0.00000 0.42644 -0.89551 0.00000
|
|
69 12D+1 0.00000 -0.00521 0.00000 0.00000 -0.27042
|
|
70 12D-1 0.00000 -2.08945 0.00000 0.00000 0.64270
|
|
71 12D+2 -0.07189 0.00000 3.52775 0.06467 0.00000
|
|
72 12D-2 -0.48812 0.00000 0.03498 -2.77008 0.00000
|
|
73 13D 0 -0.92961 0.00000 -0.22390 0.33037 0.00000
|
|
74 13D+1 0.00000 0.13678 0.00000 0.00000 0.10964
|
|
75 13D-1 0.00000 1.30346 0.00000 0.00000 -0.30202
|
|
76 13D+2 0.14522 0.00000 -1.03671 0.01617 0.00000
|
|
77 13D-2 0.33999 0.00000 0.01281 1.14480 0.00000
|
|
78 14D 0 0.07283 0.00000 0.23280 -0.20259 0.00000
|
|
79 14D+1 0.00000 0.03178 0.00000 0.00000 0.14337
|
|
80 14D-1 0.00000 -0.86356 0.00000 0.00000 0.20460
|
|
81 14D+2 1.06062 0.00000 3.30292 -0.72210 0.00000
|
|
82 14D-2 -1.10885 0.00000 -0.24094 -1.01175 0.00000
|
|
83 15F 0 0.00000 0.16310 0.00000 0.00000 1.00067
|
|
84 15F+1 0.29817 0.00000 -0.48088 -0.48394 0.00000
|
|
85 15F-1 0.02441 0.00000 0.35832 -0.09429 0.00000
|
|
86 15F+2 0.00000 -0.14330 0.00000 0.00000 -0.06347
|
|
87 15F-2 0.00000 -0.08290 0.00000 0.00000 0.45026
|
|
88 15F+3 -0.14376 0.00000 0.22233 -0.08120 0.00000
|
|
89 15F-3 0.15156 0.00000 -0.09743 0.39883 0.00000
|
|
90 16F 0 0.00000 0.30754 0.00000 0.00000 -0.73759
|
|
91 16F+1 0.01716 0.00000 -0.08988 0.35872 0.00000
|
|
92 16F-1 0.32630 0.00000 0.22526 -0.00124 0.00000
|
|
93 16F+2 0.00000 0.82158 0.00000 0.00000 -0.23820
|
|
94 16F-2 0.00000 -0.11043 0.00000 0.00000 -0.34745
|
|
95 16F+3 0.15024 0.00000 0.65307 1.13208 0.00000
|
|
96 16F-3 -0.10728 0.00000 1.06419 -1.06676 0.00000
|
|
97 3 H 1S -0.17089 0.00000 0.24106 0.12578 0.00000
|
|
98 2S 1.11689 0.00000 -3.06249 -1.71904 0.00000
|
|
99 3S -2.53087 0.00000 -7.80781 1.27437 0.00000
|
|
100 4S -0.66486 0.00000 -0.38149 0.09941 0.00000
|
|
101 5PX -0.06409 0.00000 0.06073 0.04512 0.00000
|
|
102 5PY 0.00931 0.00000 -0.01596 0.02212 0.00000
|
|
103 5PZ 0.00000 -0.01803 0.00000 0.00000 -0.06484
|
|
104 6PX 0.27266 0.00000 0.68172 0.38854 0.00000
|
|
105 6PY 0.14843 0.00000 -0.75464 0.77530 0.00000
|
|
106 6PZ 0.00000 -0.23019 0.00000 0.00000 0.21910
|
|
107 7PX 1.06371 0.00000 1.98987 -0.23887 0.00000
|
|
108 7PY 0.47903 0.00000 -0.22438 0.55044 0.00000
|
|
109 7PZ 0.00000 -0.11583 0.00000 0.00000 -0.12984
|
|
110 8D 0 -0.01110 0.00000 0.01968 -0.00712 0.00000
|
|
111 8D+1 0.00000 0.01061 0.00000 0.00000 0.03192
|
|
112 8D-1 0.00000 -0.01855 0.00000 0.00000 0.03338
|
|
113 8D+2 0.03885 0.00000 -0.05146 -0.05685 0.00000
|
|
114 8D-2 -0.03107 0.00000 0.05181 -0.07444 0.00000
|
|
115 9D 0 0.26635 0.00000 -0.29840 -0.17089 0.00000
|
|
116 9D+1 0.00000 0.12743 0.00000 0.00000 -0.14406
|
|
117 9D-1 0.00000 0.11612 0.00000 0.00000 0.05252
|
|
118 9D+2 -0.29297 0.00000 0.15604 0.07567 0.00000
|
|
119 9D-2 0.06852 0.00000 0.30997 -0.25075 0.00000
|
|
120 4 H 1S -0.02245 0.00000 0.13412 -0.00641 0.00000
|
|
121 2S 3.29704 0.00000 -1.04805 0.42846 0.00000
|
|
122 3S 4.93144 0.00000 4.86463 8.51521 0.00000
|
|
123 4S -0.14145 0.00000 -0.11919 0.12732 0.00000
|
|
124 5PX -0.01126 0.00000 -0.07499 0.00274 0.00000
|
|
125 5PY 0.00527 0.00000 0.01370 0.04289 0.00000
|
|
126 5PZ 0.00000 -0.02874 0.00000 0.00000 0.02248
|
|
127 6PX 1.41146 0.00000 0.43135 -0.54534 0.00000
|
|
128 6PY -0.46379 0.00000 0.08185 0.11241 0.00000
|
|
129 6PZ 0.00000 0.73049 0.00000 0.00000 -0.40004
|
|
130 7PX 1.12869 0.00000 1.46269 1.31789 0.00000
|
|
131 7PY -1.24547 0.00000 -0.54923 -1.19610 0.00000
|
|
132 7PZ 0.00000 1.25625 0.00000 0.00000 -0.87483
|
|
133 8D 0 0.00618 0.00000 0.04278 -0.02994 0.00000
|
|
134 8D+1 0.00000 0.01074 0.00000 0.00000 0.00705
|
|
135 8D-1 0.00000 0.00449 0.00000 0.00000 -0.02082
|
|
136 8D+2 0.00013 0.00000 -0.04301 -0.01403 0.00000
|
|
137 8D-2 -0.00629 0.00000 0.02845 -0.01716 0.00000
|
|
138 9D 0 -0.28323 0.00000 -0.50579 0.40177 0.00000
|
|
139 9D+1 0.00000 0.45679 0.00000 0.00000 -0.23556
|
|
140 9D-1 0.00000 0.25848 0.00000 0.00000 0.32701
|
|
141 9D+2 0.30356 0.00000 0.38262 -0.08856 0.00000
|
|
142 9D-2 -0.30607 0.00000 -0.07277 0.31061 0.00000
|
|
143 5 H 1S 0.11813 0.04537 0.11295 -0.00315 0.02188
|
|
144 2S -4.65365 -0.97234 -2.09620 -0.17479 1.72051
|
|
145 3S -3.26250 -3.50135 -1.22968 -4.65454 7.96671
|
|
146 4S 0.40546 -0.25508 0.16241 -0.07753 0.19788
|
|
147 5PX -0.01312 0.01096 0.02758 -0.03268 -0.00266
|
|
148 5PY -0.00728 -0.03670 0.01938 -0.04101 0.00892
|
|
149 5PZ 0.07170 -0.00571 0.06693 -0.01030 0.01541
|
|
150 6PX 2.05485 -0.34941 0.03976 0.19118 -0.35375
|
|
151 6PY 0.92410 0.31993 -0.24955 0.15835 0.23271
|
|
152 6PZ -0.15987 -0.10043 -0.10701 -0.24427 -0.41907
|
|
153 7PX 2.00388 -0.58092 0.58587 1.57013 -0.56629
|
|
154 7PY 0.87714 1.35306 -0.63981 0.99913 -0.62703
|
|
155 7PZ -0.47453 0.64441 -0.73451 0.18115 -1.58520
|
|
156 8D 0 -0.00545 0.00835 -0.03626 0.00712 0.01950
|
|
157 8D+1 -0.05483 -0.00124 -0.05678 0.01519 0.01140
|
|
158 8D-1 -0.02617 -0.00934 -0.03447 0.00508 -0.00780
|
|
159 8D+2 -0.00528 0.02089 0.01086 0.00306 0.01011
|
|
160 8D-2 -0.03239 -0.00255 -0.02423 0.00821 0.00503
|
|
161 9D 0 0.77712 -0.18050 0.17674 0.20828 0.09734
|
|
162 9D+1 -0.43695 0.30760 0.32431 -0.20359 -0.02187
|
|
163 9D-1 -0.20084 0.10206 0.41039 -0.01116 -0.23389
|
|
164 9D+2 -0.32446 -0.07603 -0.15202 -0.10981 0.03493
|
|
165 9D-2 -0.09848 -0.05634 0.15970 -0.04567 -0.10591
|
|
166 6 H 1S 0.11813 -0.04537 0.11295 -0.00315 -0.02188
|
|
167 2S -4.65365 0.97234 -2.09620 -0.17479 -1.72051
|
|
168 3S -3.26250 3.50135 -1.22968 -4.65454 -7.96671
|
|
169 4S 0.40546 0.25508 0.16241 -0.07753 -0.19788
|
|
170 5PX -0.01312 -0.01096 0.02758 -0.03268 0.00266
|
|
171 5PY -0.00728 0.03670 0.01938 -0.04101 -0.00892
|
|
172 5PZ -0.07170 -0.00571 -0.06693 0.01030 0.01541
|
|
173 6PX 2.05485 0.34941 0.03976 0.19118 0.35375
|
|
174 6PY 0.92410 -0.31993 -0.24955 0.15835 -0.23271
|
|
175 6PZ 0.15987 -0.10043 0.10701 0.24427 -0.41907
|
|
176 7PX 2.00388 0.58092 0.58587 1.57013 0.56629
|
|
177 7PY 0.87714 -1.35306 -0.63981 0.99913 0.62703
|
|
178 7PZ 0.47453 0.64441 0.73451 -0.18115 -1.58520
|
|
179 8D 0 -0.00545 -0.00835 -0.03626 0.00712 -0.01950
|
|
180 8D+1 0.05483 -0.00124 0.05678 -0.01519 0.01140
|
|
181 8D-1 0.02617 -0.00934 0.03447 -0.00508 -0.00780
|
|
182 8D+2 -0.00528 -0.02089 0.01086 0.00306 -0.01011
|
|
183 8D-2 -0.03239 0.00255 -0.02423 0.00821 -0.00503
|
|
184 9D 0 0.77712 0.18050 0.17674 0.20828 -0.09734
|
|
185 9D+1 0.43695 0.30760 -0.32431 0.20359 -0.02187
|
|
186 9D-1 0.20084 0.10206 -0.41039 0.01116 -0.23389
|
|
187 9D+2 -0.32446 0.07603 -0.15202 -0.10981 -0.03493
|
|
188 9D-2 -0.09848 0.05634 0.15970 -0.04567 0.10591
|
|
126 127 128 129 130
|
|
V V V V V
|
|
Eigenvalues -- 2.49353 2.53883 2.57028 2.63315 2.65202
|
|
1 1 C 1S 0.02572 0.00000 0.04199 0.00000 -0.03481
|
|
2 2S -0.54115 0.00000 -0.84376 0.00000 1.27404
|
|
3 3S -0.55274 0.00000 -0.97370 0.00000 1.12972
|
|
4 4S 3.22077 0.00000 16.26365 0.00000 3.25273
|
|
5 5S 0.98835 0.00000 2.18474 0.00000 -0.65524
|
|
6 6PX 0.03234 0.00000 0.02560 0.00000 0.01715
|
|
7 6PY -0.02048 0.00000 0.04785 0.00000 0.30234
|
|
8 6PZ 0.00000 0.02442 0.00000 -0.06316 0.00000
|
|
9 7PX -0.40893 0.00000 0.57936 0.00000 -0.61642
|
|
10 7PY 0.01212 0.00000 0.33396 0.00000 -0.98594
|
|
11 7PZ 0.00000 0.62733 0.00000 0.58762 0.00000
|
|
12 8PX -1.11125 0.00000 0.28285 0.00000 -1.12249
|
|
13 8PY -0.48079 0.00000 -0.18703 0.00000 0.55425
|
|
14 8PZ 0.00000 -1.96352 0.00000 3.60387 0.00000
|
|
15 9PX 0.18694 0.00000 -0.00693 0.00000 -0.10268
|
|
16 9PY -0.02909 0.00000 -0.26772 0.00000 0.04001
|
|
17 9PZ 0.00000 0.04042 0.00000 0.50885 0.00000
|
|
18 10D 0 0.02562 0.00000 0.00215 0.00000 -0.04616
|
|
19 10D+1 0.00000 0.02298 0.00000 0.01300 0.00000
|
|
20 10D-1 0.00000 0.00413 0.00000 0.00635 0.00000
|
|
21 10D+2 -0.01365 0.00000 -0.04528 0.00000 -0.08816
|
|
22 10D-2 0.00820 0.00000 -0.00201 0.00000 -0.00731
|
|
23 11D 0 -0.70572 0.00000 1.29620 0.00000 0.82499
|
|
24 11D+1 0.00000 0.31936 0.00000 0.00183 0.00000
|
|
25 11D-1 0.00000 0.15633 0.00000 1.18279 0.00000
|
|
26 11D+2 -0.55778 0.00000 0.98966 0.00000 2.24094
|
|
27 11D-2 -1.09468 0.00000 0.51042 0.00000 -0.77734
|
|
28 12D 0 -0.15957 0.00000 -0.52784 0.00000 0.59376
|
|
29 12D+1 0.00000 -2.03798 0.00000 1.01664 0.00000
|
|
30 12D-1 0.00000 0.87417 0.00000 0.30534 0.00000
|
|
31 12D+2 -0.02014 0.00000 0.43696 0.00000 0.83175
|
|
32 12D-2 -0.37455 0.00000 0.92376 0.00000 -0.58648
|
|
33 13F 0 0.00000 -0.03876 0.00000 -0.03155 0.00000
|
|
34 13F+1 0.10848 0.00000 0.12606 0.00000 -0.03234
|
|
35 13F-1 0.03530 0.00000 0.13253 0.00000 0.03911
|
|
36 13F+2 0.00000 -0.05914 0.00000 -0.08172 0.00000
|
|
37 13F-2 0.00000 0.08320 0.00000 -0.00943 0.00000
|
|
38 13F+3 -0.03614 0.00000 -0.10176 0.00000 0.00640
|
|
39 13F-3 0.04244 0.00000 -0.00065 0.00000 0.13741
|
|
40 14F 0 0.00000 0.39904 0.00000 -0.25088 0.00000
|
|
41 14F+1 -0.24509 0.00000 1.28547 0.00000 0.73549
|
|
42 14F-1 -0.01526 0.00000 0.00396 0.00000 -1.10797
|
|
43 14F+2 0.00000 0.64780 0.00000 -0.00139 0.00000
|
|
44 14F-2 0.00000 -0.80393 0.00000 0.32624 0.00000
|
|
45 14F+3 0.24632 0.00000 -0.00974 0.00000 -0.09580
|
|
46 14F-3 1.15534 0.00000 0.49700 0.00000 -1.12555
|
|
47 2 S 1S -0.03911 0.00000 0.01486 0.00000 0.01862
|
|
48 2S -0.01118 0.00000 0.03991 0.00000 -0.04640
|
|
49 3S -0.86171 0.00000 0.39715 0.00000 0.29890
|
|
50 4S -0.46767 0.00000 0.21538 0.00000 0.02309
|
|
51 5S -2.64813 0.00000 -2.51313 0.00000 5.43379
|
|
52 6S -1.55418 0.00000 -1.81392 0.00000 1.81175
|
|
53 7PX 0.17425 0.00000 0.02387 0.00000 -0.00140
|
|
54 7PY -0.00118 0.00000 0.01478 0.00000 -0.07296
|
|
55 7PZ 0.00000 0.06899 0.00000 -0.29108 0.00000
|
|
56 8PX -0.25512 0.00000 0.19372 0.00000 0.19353
|
|
57 8PY -0.68824 0.00000 0.11062 0.00000 1.16347
|
|
58 8PZ 0.00000 0.27804 0.00000 -1.37154 0.00000
|
|
59 9PX -0.60276 0.00000 -0.06906 0.00000 -0.02006
|
|
60 9PY 0.02212 0.00000 -0.03265 0.00000 0.29559
|
|
61 9PZ 0.00000 -0.21386 0.00000 0.90721 0.00000
|
|
62 10PX 1.25202 0.00000 0.77117 0.00000 1.81248
|
|
63 10PY -2.97369 0.00000 -2.51440 0.00000 -0.11003
|
|
64 10PZ 0.00000 0.96678 0.00000 -0.90201 0.00000
|
|
65 11PX 0.18221 0.00000 0.08352 0.00000 0.23507
|
|
66 11PY -0.34862 0.00000 -0.43932 0.00000 0.02305
|
|
67 11PZ 0.00000 0.06728 0.00000 -0.25045 0.00000
|
|
68 12D 0 -0.36708 0.00000 0.06413 0.00000 -0.62531
|
|
69 12D+1 0.00000 -0.77071 0.00000 -1.03069 0.00000
|
|
70 12D-1 0.00000 0.94677 0.00000 0.05453 0.00000
|
|
71 12D+2 1.45297 0.00000 0.21667 0.00000 0.08367
|
|
72 12D-2 -0.82206 0.00000 0.98800 0.00000 -1.19608
|
|
73 13D 0 0.45627 0.00000 -0.00608 0.00000 -0.13580
|
|
74 13D+1 0.00000 0.24522 0.00000 0.23655 0.00000
|
|
75 13D-1 0.00000 -0.29291 0.00000 0.06650 0.00000
|
|
76 13D+2 -0.51632 0.00000 -0.03765 0.00000 -0.44848
|
|
77 13D-2 0.33624 0.00000 -0.27758 0.00000 0.32680
|
|
78 14D 0 0.09704 0.00000 0.64377 0.00000 -0.12299
|
|
79 14D+1 0.00000 0.59840 0.00000 -0.21558 0.00000
|
|
80 14D-1 0.00000 0.32859 0.00000 -0.58290 0.00000
|
|
81 14D+2 1.39846 0.00000 0.72711 0.00000 0.93689
|
|
82 14D-2 0.11850 0.00000 0.05091 0.00000 -0.22740
|
|
83 15F 0 0.00000 0.30254 0.00000 0.08379 0.00000
|
|
84 15F+1 0.87046 0.00000 -0.27290 0.00000 0.02291
|
|
85 15F-1 -0.10811 0.00000 -1.18831 0.00000 -0.43566
|
|
86 15F+2 0.00000 -0.52209 0.00000 -1.14062 0.00000
|
|
87 15F-2 0.00000 -1.13777 0.00000 0.47416 0.00000
|
|
88 15F+3 -0.08059 0.00000 -0.10949 0.00000 0.06599
|
|
89 15F-3 0.01959 0.00000 0.14354 0.00000 -0.97235
|
|
90 16F 0 0.00000 -0.30210 0.00000 0.33760 0.00000
|
|
91 16F+1 -0.87384 0.00000 0.14812 0.00000 -0.16018
|
|
92 16F-1 0.18421 0.00000 0.75487 0.00000 0.36549
|
|
93 16F+2 0.00000 -0.07097 0.00000 0.48731 0.00000
|
|
94 16F-2 0.00000 0.74960 0.00000 -0.28056 0.00000
|
|
95 16F+3 0.69092 0.00000 -0.15803 0.00000 0.40296
|
|
96 16F-3 0.18628 0.00000 0.19018 0.00000 0.33639
|
|
97 3 H 1S -0.05507 0.00000 0.06278 0.00000 0.05263
|
|
98 2S -1.46052 0.00000 0.27990 0.00000 -1.57490
|
|
99 3S 0.34113 0.00000 -0.54100 0.00000 -2.81080
|
|
100 4S 0.03695 0.00000 -0.17135 0.00000 -0.16980
|
|
101 5PX 0.12418 0.00000 0.00801 0.00000 0.01796
|
|
102 5PY -0.00787 0.00000 0.02561 0.00000 -0.05481
|
|
103 5PZ 0.00000 -0.02870 0.00000 -0.05461 0.00000
|
|
104 6PX -0.88548 0.00000 -0.06524 0.00000 0.41194
|
|
105 6PY 0.27693 0.00000 -0.37674 0.00000 0.55619
|
|
106 6PZ 0.00000 0.40056 0.00000 1.02265 0.00000
|
|
107 7PX -1.13541 0.00000 0.28288 0.00000 0.48496
|
|
108 7PY 0.14638 0.00000 -0.03792 0.00000 0.44647
|
|
109 7PZ 0.00000 -0.09386 0.00000 0.44015 0.00000
|
|
110 8D 0 0.08733 0.00000 -0.01349 0.00000 0.03507
|
|
111 8D+1 0.00000 -0.01042 0.00000 0.02684 0.00000
|
|
112 8D-1 0.00000 -0.07441 0.00000 0.00962 0.00000
|
|
113 8D+2 -0.02831 0.00000 0.01675 0.00000 -0.03271
|
|
114 8D-2 0.00960 0.00000 0.00951 0.00000 0.01653
|
|
115 9D 0 -0.54954 0.00000 0.06346 0.00000 -0.21165
|
|
116 9D+1 0.00000 -0.27048 0.00000 -0.86917 0.00000
|
|
117 9D-1 0.00000 -0.04614 0.00000 0.14151 0.00000
|
|
118 9D+2 0.67139 0.00000 -0.00675 0.00000 -0.04937
|
|
119 9D-2 -0.35356 0.00000 0.34706 0.00000 -0.58219
|
|
120 4 H 1S 0.06762 0.00000 0.04083 0.00000 0.12835
|
|
121 2S -1.69815 0.00000 -2.65734 0.00000 -1.81906
|
|
122 3S -1.09089 0.00000 -1.38943 0.00000 -3.33507
|
|
123 4S 0.30327 0.00000 0.05033 0.00000 -0.10770
|
|
124 5PX -0.05570 0.00000 -0.06638 0.00000 0.02097
|
|
125 5PY 0.06685 0.00000 0.01905 0.00000 -0.00363
|
|
126 5PZ 0.00000 0.00165 0.00000 0.00471 0.00000
|
|
127 6PX -0.51306 0.00000 0.23409 0.00000 -0.81316
|
|
128 6PY -1.30479 0.00000 0.07349 0.00000 1.01091
|
|
129 6PZ 0.00000 -0.18257 0.00000 -0.34357 0.00000
|
|
130 7PX -0.28972 0.00000 0.27101 0.00000 -1.14488
|
|
131 7PY -0.80517 0.00000 0.33797 0.00000 0.71669
|
|
132 7PZ 0.00000 -1.17993 0.00000 0.19002 0.00000
|
|
133 8D 0 0.01647 0.00000 0.04797 0.00000 -0.03516
|
|
134 8D+1 0.00000 -0.00096 0.00000 0.00917 0.00000
|
|
135 8D-1 0.00000 0.02954 0.00000 0.01102 0.00000
|
|
136 8D+2 -0.04817 0.00000 -0.02622 0.00000 0.05157
|
|
137 8D-2 0.02114 0.00000 0.05937 0.00000 -0.03509
|
|
138 9D 0 -0.24831 0.00000 -0.14348 0.00000 0.50797
|
|
139 9D+1 0.00000 -0.00303 0.00000 -0.11581 0.00000
|
|
140 9D-1 0.00000 -0.32369 0.00000 0.07044 0.00000
|
|
141 9D+2 -0.16294 0.00000 0.49938 0.00000 0.00576
|
|
142 9D-2 -0.38466 0.00000 -0.23790 0.00000 0.42869
|
|
143 5 H 1S 0.06831 0.00516 0.05903 0.05527 0.05526
|
|
144 2S 0.17328 -0.09559 -4.01770 -1.41494 0.38776
|
|
145 3S 1.34145 2.55099 -2.78952 -3.40826 -1.05727
|
|
146 4S -0.10306 -0.12773 -0.02552 -0.28490 0.00442
|
|
147 5PX 0.01160 -0.00245 0.02991 -0.00257 -0.02381
|
|
148 5PY 0.01555 -0.00371 0.02371 0.01817 -0.04726
|
|
149 5PZ 0.03959 0.00078 0.05369 0.00021 -0.03191
|
|
150 6PX -0.22291 0.11693 0.15715 0.25302 -0.14307
|
|
151 6PY -0.34899 0.75515 0.87792 -0.57642 1.26309
|
|
152 6PZ -0.23302 0.14580 0.37023 0.44969 -0.16734
|
|
153 7PX -0.38776 0.47106 -0.15944 0.09610 0.27104
|
|
154 7PY -0.44625 -0.34398 0.16294 -0.18091 1.19060
|
|
155 7PZ -0.44684 -0.54027 0.56328 0.58613 0.24992
|
|
156 8D 0 -0.02073 -0.01707 -0.05274 0.00353 0.05232
|
|
157 8D+1 -0.02465 -0.01098 -0.05972 -0.01312 0.06114
|
|
158 8D-1 -0.03475 0.00943 -0.06505 -0.00528 0.04691
|
|
159 8D+2 0.01016 -0.01680 -0.01228 0.01829 0.02051
|
|
160 8D-2 -0.00771 -0.02058 -0.01541 -0.01071 0.02491
|
|
161 9D 0 0.03545 0.06273 0.39375 -0.12585 0.13033
|
|
162 9D+1 0.28659 0.06023 0.29495 -0.11817 -0.24068
|
|
163 9D-1 0.14892 -0.29734 0.20566 0.22463 -0.50731
|
|
164 9D+2 -0.31416 0.01182 0.21724 -0.28746 0.47649
|
|
165 9D-2 0.08197 0.04166 -0.14368 0.20284 -0.13665
|
|
166 6 H 1S 0.06831 -0.00516 0.05903 -0.05527 0.05526
|
|
167 2S 0.17328 0.09559 -4.01770 1.41494 0.38776
|
|
168 3S 1.34145 -2.55099 -2.78952 3.40826 -1.05727
|
|
169 4S -0.10306 0.12773 -0.02552 0.28490 0.00442
|
|
170 5PX 0.01160 0.00245 0.02991 0.00257 -0.02381
|
|
171 5PY 0.01555 0.00371 0.02371 -0.01817 -0.04726
|
|
172 5PZ -0.03959 0.00078 -0.05369 0.00021 0.03191
|
|
173 6PX -0.22291 -0.11693 0.15715 -0.25302 -0.14307
|
|
174 6PY -0.34899 -0.75515 0.87792 0.57642 1.26309
|
|
175 6PZ 0.23302 0.14580 -0.37023 0.44969 0.16734
|
|
176 7PX -0.38776 -0.47106 -0.15944 -0.09610 0.27104
|
|
177 7PY -0.44625 0.34398 0.16294 0.18091 1.19060
|
|
178 7PZ 0.44684 -0.54027 -0.56328 0.58613 -0.24992
|
|
179 8D 0 -0.02073 0.01707 -0.05274 -0.00353 0.05232
|
|
180 8D+1 0.02465 -0.01098 0.05972 -0.01312 -0.06114
|
|
181 8D-1 0.03475 0.00943 0.06505 -0.00528 -0.04691
|
|
182 8D+2 0.01016 0.01680 -0.01228 -0.01829 0.02051
|
|
183 8D-2 -0.00771 0.02058 -0.01541 0.01071 0.02491
|
|
184 9D 0 0.03545 -0.06273 0.39375 0.12585 0.13033
|
|
185 9D+1 -0.28659 0.06023 -0.29495 -0.11817 0.24068
|
|
186 9D-1 -0.14892 -0.29734 -0.20566 0.22463 0.50731
|
|
187 9D+2 -0.31416 -0.01182 0.21724 0.28746 0.47649
|
|
188 9D-2 0.08197 -0.04166 -0.14368 -0.20284 -0.13665
|
|
131 132 133 134 135
|
|
V V V V V
|
|
Eigenvalues -- 2.69343 2.74555 2.80240 3.00661 3.06235
|
|
1 1 C 1S 0.07674 -0.02683 0.00000 -0.01029 -0.05892
|
|
2 2S -1.08983 0.26621 0.00000 -0.82443 0.51572
|
|
3 3S -1.08679 0.08911 0.00000 -1.06597 -0.18265
|
|
4 4S 7.74062 9.73780 0.00000 19.44009 32.28546
|
|
5 5S 0.65842 0.30504 0.00000 3.78633 4.63755
|
|
6 6PX -0.03732 -0.07757 0.00000 -0.00158 0.02877
|
|
7 6PY 0.13241 -0.06615 0.00000 -0.54121 -0.39398
|
|
8 6PZ 0.00000 0.00000 0.12012 0.00000 0.00000
|
|
9 7PX -0.25825 1.57536 0.00000 -0.12886 -0.26275
|
|
10 7PY 0.86053 0.48928 0.00000 1.65297 3.15088
|
|
11 7PZ 0.00000 0.00000 -2.06242 0.00000 0.00000
|
|
12 8PX 0.41346 3.20868 0.00000 0.72337 -0.07766
|
|
13 8PY 4.58776 -0.99823 0.00000 -3.10778 0.87341
|
|
14 8PZ 0.00000 0.00000 -1.22151 0.00000 0.00000
|
|
15 9PX 0.01258 0.31606 0.00000 -0.00185 -0.05201
|
|
16 9PY 0.25345 0.03898 0.00000 -0.63690 0.02647
|
|
17 9PZ 0.00000 0.00000 -0.33301 0.00000 0.00000
|
|
18 10D 0 -0.08159 -0.00077 0.00000 0.11941 -0.00004
|
|
19 10D+1 0.00000 0.00000 0.06529 0.00000 0.00000
|
|
20 10D-1 0.00000 0.00000 -0.13789 0.00000 0.00000
|
|
21 10D+2 -0.10768 0.06211 0.00000 0.18633 0.01477
|
|
22 10D-2 0.01704 0.11324 0.00000 -0.04321 -0.01346
|
|
23 11D 0 0.25818 0.44823 0.00000 -0.05517 0.60380
|
|
24 11D+1 0.00000 0.00000 -0.36609 0.00000 0.00000
|
|
25 11D-1 0.00000 0.00000 -1.49275 0.00000 0.00000
|
|
26 11D+2 1.32209 -0.11248 0.00000 -0.00026 0.36909
|
|
27 11D-2 -0.23186 1.86944 0.00000 -0.01946 0.44417
|
|
28 12D 0 0.93192 0.39128 0.00000 -0.49891 0.07022
|
|
29 12D+1 0.00000 0.00000 0.49537 0.00000 0.00000
|
|
30 12D-1 0.00000 0.00000 -0.25857 0.00000 0.00000
|
|
31 12D+2 0.76627 -0.41852 0.00000 -1.30396 0.16935
|
|
32 12D-2 -1.06034 0.92001 0.00000 -0.04602 0.05350
|
|
33 13F 0 0.00000 0.00000 0.06096 0.00000 0.00000
|
|
34 13F+1 0.18432 0.06762 0.00000 -0.02780 0.81161
|
|
35 13F-1 -0.07843 0.12010 0.00000 0.07191 0.38234
|
|
36 13F+2 0.00000 0.00000 0.09559 0.00000 0.00000
|
|
37 13F-2 0.00000 0.00000 -0.12972 0.00000 0.00000
|
|
38 13F+3 -0.03766 -0.19117 0.00000 0.03516 -0.28515
|
|
39 13F-3 -0.03510 0.05859 0.00000 0.06138 0.33528
|
|
40 14F 0 0.00000 0.00000 -0.55401 0.00000 0.00000
|
|
41 14F+1 0.48364 0.53524 0.00000 1.62451 -0.14304
|
|
42 14F-1 1.03874 0.49156 0.00000 0.75533 1.16334
|
|
43 14F+2 0.00000 0.00000 -0.71498 0.00000 0.00000
|
|
44 14F-2 0.00000 0.00000 -0.12095 0.00000 0.00000
|
|
45 14F+3 -0.45855 0.73162 0.00000 -0.90180 -0.47491
|
|
46 14F-3 0.48413 -0.32443 0.00000 0.34382 0.80215
|
|
47 2 S 1S -0.01493 0.00104 0.00000 0.00942 -0.00337
|
|
48 2S 0.00703 0.06266 0.00000 0.04423 0.15369
|
|
49 3S -0.32172 0.15510 0.00000 0.30920 0.20402
|
|
50 4S -0.26066 0.20495 0.00000 0.33388 0.07919
|
|
51 5S 1.95442 -5.92548 0.00000 -9.28833 -7.08335
|
|
52 6S 0.09026 -0.96264 0.00000 -2.63377 -2.25742
|
|
53 7PX -0.04288 0.08826 0.00000 -0.19392 -0.21178
|
|
54 7PY 0.10249 -0.02967 0.00000 -0.52087 -0.15113
|
|
55 7PZ 0.00000 0.00000 -0.47945 0.00000 0.00000
|
|
56 8PX 0.09046 -0.35455 0.00000 -1.49709 -1.70114
|
|
57 8PY -0.30462 -0.08474 0.00000 -3.41480 -1.85478
|
|
58 8PZ 0.00000 0.00000 -2.62785 0.00000 0.00000
|
|
59 9PX 0.17529 -0.29686 0.00000 0.63817 0.71459
|
|
60 9PY -0.37147 0.10387 0.00000 1.66558 0.48657
|
|
61 9PZ 0.00000 0.00000 1.53705 0.00000 0.00000
|
|
62 10PX -3.35454 -2.56301 0.00000 -0.36926 -0.42955
|
|
63 10PY 2.44014 -2.17830 0.00000 -4.15714 -2.92011
|
|
64 10PZ 0.00000 0.00000 1.22686 0.00000 0.00000
|
|
65 11PX -0.04890 -0.26001 0.00000 0.18671 -0.00464
|
|
66 11PY -0.04682 -0.11643 0.00000 -0.41937 -0.28426
|
|
67 11PZ 0.00000 0.00000 0.10987 0.00000 0.00000
|
|
68 12D 0 -0.22355 0.84118 0.00000 0.92112 0.78393
|
|
69 12D+1 0.00000 0.00000 -0.51587 0.00000 0.00000
|
|
70 12D-1 0.00000 0.00000 -0.77630 0.00000 0.00000
|
|
71 12D+2 -1.59781 -0.56931 0.00000 0.30149 -0.24996
|
|
72 12D-2 -1.49284 1.11704 0.00000 -1.00956 0.13123
|
|
73 13D 0 0.13044 -0.02118 0.00000 -0.13007 0.05209
|
|
74 13D+1 0.00000 0.00000 0.07995 0.00000 0.00000
|
|
75 13D-1 0.00000 0.00000 0.07199 0.00000 0.00000
|
|
76 13D+2 0.70880 -0.17511 0.00000 -0.13329 0.19112
|
|
77 13D-2 0.40475 -0.04438 0.00000 0.21962 -0.06945
|
|
78 14D 0 -0.03146 0.02659 0.00000 0.12995 0.48506
|
|
79 14D+1 0.00000 0.00000 0.18740 0.00000 0.00000
|
|
80 14D-1 0.00000 0.00000 1.01177 0.00000 0.00000
|
|
81 14D+2 -0.82815 0.44693 0.00000 0.55952 0.35668
|
|
82 14D-2 -0.58728 -1.59775 0.00000 -0.17207 0.45867
|
|
83 15F 0 0.00000 0.00000 0.79568 0.00000 0.00000
|
|
84 15F+1 -0.15419 -0.11207 0.00000 0.21195 0.15758
|
|
85 15F-1 0.11091 0.13959 0.00000 0.09273 0.08269
|
|
86 15F+2 0.00000 0.00000 0.49917 0.00000 0.00000
|
|
87 15F-2 0.00000 0.00000 -0.13107 0.00000 0.00000
|
|
88 15F+3 -0.14214 -1.41708 0.00000 -0.20354 0.10891
|
|
89 15F-3 -0.89824 0.05541 0.00000 -0.06881 0.24048
|
|
90 16F 0 0.00000 0.00000 -0.35082 0.00000 0.00000
|
|
91 16F+1 0.33194 0.32109 0.00000 -0.13393 0.08651
|
|
92 16F-1 -0.11461 -0.08761 0.00000 0.18138 0.02435
|
|
93 16F+2 0.00000 0.00000 -0.45523 0.00000 0.00000
|
|
94 16F-2 0.00000 0.00000 0.23745 0.00000 0.00000
|
|
95 16F+3 0.13806 0.66889 0.00000 0.05767 -0.65034
|
|
96 16F-3 -0.19509 0.15538 0.00000 -0.36307 -0.16759
|
|
97 3 H 1S -0.02732 -0.15060 0.00000 0.31750 0.15293
|
|
98 2S 0.53861 2.31820 0.00000 0.33481 1.73357
|
|
99 3S 2.70308 2.60862 0.00000 1.10167 0.91133
|
|
100 4S 0.06401 0.20219 0.00000 -0.20527 0.09045
|
|
101 5PX -0.06970 0.06055 0.00000 0.03320 -0.01690
|
|
102 5PY -0.05450 -0.04423 0.00000 -0.00253 -0.02324
|
|
103 5PZ 0.00000 0.00000 0.01365 0.00000 0.00000
|
|
104 6PX 0.37962 -1.50022 0.00000 -0.49244 -0.60969
|
|
105 6PY 0.99057 0.15988 0.00000 0.83840 0.09060
|
|
106 6PZ 0.00000 0.00000 0.46897 0.00000 0.00000
|
|
107 7PX -0.51431 -0.78156 0.00000 -0.52866 -0.26863
|
|
108 7PY 0.61644 0.98360 0.00000 0.72735 -0.26568
|
|
109 7PZ 0.00000 0.00000 0.20455 0.00000 0.00000
|
|
110 8D 0 -0.01887 -0.07163 0.00000 -0.05359 -0.06301
|
|
111 8D+1 0.00000 0.00000 -0.00493 0.00000 0.00000
|
|
112 8D-1 0.00000 0.00000 0.00106 0.00000 0.00000
|
|
113 8D+2 0.01920 0.01893 0.00000 0.09961 0.08043
|
|
114 8D-2 0.02500 0.02544 0.00000 0.01366 -0.08255
|
|
115 9D 0 0.18146 -0.15651 0.00000 -0.01400 0.25062
|
|
116 9D+1 0.00000 0.00000 -0.44882 0.00000 0.00000
|
|
117 9D-1 0.00000 0.00000 0.09058 0.00000 0.00000
|
|
118 9D+2 -0.43792 0.17758 0.00000 -0.03797 0.22930
|
|
119 9D-2 -0.65478 -0.11824 0.00000 -0.61864 0.03880
|
|
120 4 H 1S 0.01095 -0.10007 0.00000 -0.23454 0.61644
|
|
121 2S -2.99648 1.63065 0.00000 -3.78785 -6.34147
|
|
122 3S -3.44967 0.80163 0.00000 -1.11943 -5.17603
|
|
123 4S -0.06711 0.15746 0.00000 -0.04312 -0.29111
|
|
124 5PX -0.06874 -0.00576 0.00000 0.04651 -0.12139
|
|
125 5PY 0.04080 -0.09113 0.00000 -0.02451 0.05506
|
|
126 5PZ 0.00000 0.00000 -0.04579 0.00000 0.00000
|
|
127 6PX -0.39367 0.66479 0.00000 -0.56842 -1.80937
|
|
128 6PY 0.40617 0.82627 0.00000 0.57961 0.39714
|
|
129 6PZ 0.00000 0.00000 0.32185 0.00000 0.00000
|
|
130 7PX -0.52068 0.12567 0.00000 -0.12144 -1.09373
|
|
131 7PY -0.14349 1.43490 0.00000 -0.32041 -0.04046
|
|
132 7PZ 0.00000 0.00000 0.64579 0.00000 0.00000
|
|
133 8D 0 0.01871 -0.01550 0.00000 0.05104 0.07914
|
|
134 8D+1 0.00000 0.00000 -0.04605 0.00000 0.00000
|
|
135 8D-1 0.00000 0.00000 -0.01424 0.00000 0.00000
|
|
136 8D+2 -0.08232 -0.05149 0.00000 -0.14307 -0.10743
|
|
137 8D-2 0.06906 -0.02329 0.00000 0.03352 0.11849
|
|
138 9D 0 -0.25483 0.26430 0.00000 -0.01567 -0.58651
|
|
139 9D+1 0.00000 0.00000 0.14405 0.00000 0.00000
|
|
140 9D-1 0.00000 0.00000 -0.07701 0.00000 0.00000
|
|
141 9D+2 0.45554 0.67991 0.00000 0.20540 -0.17737
|
|
142 9D-2 -0.01719 0.24557 0.00000 -0.33001 -0.06230
|
|
143 5 H 1S 0.09901 0.20567 -0.30491 -0.20791 0.54004
|
|
144 2S -2.60696 -3.21094 2.80006 -3.80924 -7.04070
|
|
145 3S -2.22285 -2.50263 -1.33252 -2.69339 -6.29243
|
|
146 4S -0.05295 -0.15110 0.22174 -0.04677 -0.30431
|
|
147 5PX 0.03644 0.03843 0.00826 -0.01288 0.05051
|
|
148 5PY 0.05445 0.03048 -0.07264 -0.03015 0.08654
|
|
149 5PZ 0.05797 -0.00218 -0.04040 -0.00225 0.10477
|
|
150 6PX 0.01477 0.26966 -0.61968 0.24354 1.17338
|
|
151 6PY -0.21234 0.09451 -0.13097 0.29157 0.20676
|
|
152 6PZ 0.03067 0.95167 -0.80894 0.46598 1.78821
|
|
153 7PX 0.18905 0.19512 -0.23721 0.12699 0.67622
|
|
154 7PY 0.27810 -0.15354 0.77805 -0.01210 0.31625
|
|
155 7PZ -0.15166 0.79358 0.27483 0.26932 1.15434
|
|
156 8D 0 -0.01324 0.01509 0.00541 -0.11886 -0.09073
|
|
157 8D+1 -0.03085 -0.03858 0.00246 -0.10435 -0.07969
|
|
158 8D-1 -0.07347 -0.03181 0.03274 -0.03086 -0.11818
|
|
159 8D+2 0.01963 0.01095 -0.06107 -0.05929 -0.03830
|
|
160 8D-2 -0.05254 0.00519 0.01723 -0.03668 -0.07750
|
|
161 9D 0 0.23880 -0.30057 0.30842 0.23852 0.04880
|
|
162 9D+1 0.40294 -0.04874 0.14465 0.05979 0.25438
|
|
163 9D-1 0.06817 -0.01893 -0.01381 0.41007 0.23559
|
|
164 9D+2 -0.09664 -0.20782 0.48247 0.28106 -0.33640
|
|
165 9D-2 0.28312 0.10337 0.09898 0.29993 0.08143
|
|
166 6 H 1S 0.09901 0.20567 0.30491 -0.20791 0.54004
|
|
167 2S -2.60696 -3.21094 -2.80006 -3.80924 -7.04070
|
|
168 3S -2.22285 -2.50263 1.33252 -2.69339 -6.29243
|
|
169 4S -0.05295 -0.15110 -0.22174 -0.04677 -0.30431
|
|
170 5PX 0.03644 0.03843 -0.00826 -0.01288 0.05051
|
|
171 5PY 0.05445 0.03048 0.07264 -0.03015 0.08654
|
|
172 5PZ -0.05797 0.00218 -0.04040 0.00225 -0.10477
|
|
173 6PX 0.01477 0.26966 0.61968 0.24354 1.17338
|
|
174 6PY -0.21234 0.09451 0.13097 0.29157 0.20676
|
|
175 6PZ -0.03067 -0.95167 -0.80894 -0.46598 -1.78821
|
|
176 7PX 0.18905 0.19512 0.23721 0.12699 0.67622
|
|
177 7PY 0.27810 -0.15354 -0.77805 -0.01210 0.31625
|
|
178 7PZ 0.15166 -0.79358 0.27483 -0.26932 -1.15434
|
|
179 8D 0 -0.01324 0.01509 -0.00541 -0.11886 -0.09073
|
|
180 8D+1 0.03085 0.03858 0.00246 0.10435 0.07969
|
|
181 8D-1 0.07347 0.03181 0.03274 0.03086 0.11818
|
|
182 8D+2 0.01963 0.01095 0.06107 -0.05929 -0.03830
|
|
183 8D-2 -0.05254 0.00519 -0.01723 -0.03668 -0.07750
|
|
184 9D 0 0.23880 -0.30057 -0.30842 0.23852 0.04880
|
|
185 9D+1 -0.40294 0.04874 0.14465 -0.05979 -0.25438
|
|
186 9D-1 -0.06817 0.01893 -0.01381 -0.41007 -0.23559
|
|
187 9D+2 -0.09664 -0.20782 -0.48247 0.28106 -0.33640
|
|
188 9D-2 0.28312 0.10337 -0.09898 0.29993 0.08143
|
|
136 137 138 139 140
|
|
V V V V V
|
|
Eigenvalues -- 3.06912 3.34681 3.34922 3.50815 3.52154
|
|
1 1 C 1S -0.02794 0.00000 -0.00845 -0.00814 0.00000
|
|
2 2S -0.04150 0.00000 0.16359 0.13719 0.00000
|
|
3 3S -0.29422 0.00000 0.21816 0.16077 0.00000
|
|
4 4S 12.90084 0.00000 -3.48202 -3.10452 0.00000
|
|
5 5S 2.44087 0.00000 -1.29031 -1.53828 0.00000
|
|
6 6PX 0.08102 0.00000 -0.29661 0.47067 0.00000
|
|
7 6PY -0.46060 0.00000 -0.10199 -0.29270 0.00000
|
|
8 6PZ 0.00000 0.39800 0.00000 0.00000 0.23360
|
|
9 7PX -0.37996 0.00000 3.74797 -2.96679 0.00000
|
|
10 7PY 1.74310 0.00000 0.23219 0.69105 0.00000
|
|
11 7PZ 0.00000 -4.06711 0.00000 0.00000 -1.10837
|
|
12 8PX -2.21844 0.00000 9.09932 -7.23028 0.00000
|
|
13 8PY 1.71076 0.00000 2.32242 3.63494 0.00000
|
|
14 8PZ 0.00000 -9.90187 0.00000 0.00000 -3.10236
|
|
15 9PX 0.02761 0.00000 0.67972 -0.61257 0.00000
|
|
16 9PY -0.00801 0.00000 0.24012 0.66513 0.00000
|
|
17 9PZ 0.00000 -0.89508 0.00000 0.00000 0.04610
|
|
18 10D 0 0.03443 0.00000 -0.03191 0.22507 0.00000
|
|
19 10D+1 0.00000 0.12742 0.00000 0.00000 0.56487
|
|
20 10D-1 0.00000 0.19220 0.00000 0.00000 -0.49100
|
|
21 10D+2 0.09109 0.00000 -0.00459 -0.28432 0.00000
|
|
22 10D-2 0.05958 0.00000 -0.23738 -0.00218 0.00000
|
|
23 11D 0 -0.18081 0.00000 1.42112 -1.80244 0.00000
|
|
24 11D+1 0.00000 -1.87227 0.00000 0.00000 -2.45561
|
|
25 11D-1 0.00000 -1.77499 0.00000 0.00000 0.53799
|
|
26 11D+2 0.16373 0.00000 -0.95719 1.74488 0.00000
|
|
27 11D-2 -0.53435 0.00000 1.53723 -0.76207 0.00000
|
|
28 12D 0 -0.55876 0.00000 3.55926 -1.21921 0.00000
|
|
29 12D+1 0.00000 -3.17116 0.00000 0.00000 -0.20019
|
|
30 12D-1 0.00000 -0.59828 0.00000 0.00000 -0.68019
|
|
31 12D+2 0.23725 0.00000 -1.50194 1.47676 0.00000
|
|
32 12D-2 -1.38311 0.00000 0.27997 -0.03243 0.00000
|
|
33 13F 0 0.00000 -0.18873 0.00000 0.00000 0.18220
|
|
34 13F+1 0.21071 0.00000 -0.03709 -0.21891 0.00000
|
|
35 13F-1 0.09506 0.00000 0.60764 0.06351 0.00000
|
|
36 13F+2 0.00000 -0.10091 0.00000 0.00000 0.46839
|
|
37 13F-2 0.00000 -0.72460 0.00000 0.00000 0.02455
|
|
38 13F+3 -0.00356 0.00000 0.31632 -0.10823 0.00000
|
|
39 13F-3 0.13591 0.00000 -0.36479 0.14712 0.00000
|
|
40 14F 0 0.00000 0.70050 0.00000 0.00000 -0.20434
|
|
41 14F+1 0.60768 0.00000 -0.25846 0.44929 0.00000
|
|
42 14F-1 0.12424 0.00000 -1.22890 -0.55415 0.00000
|
|
43 14F+2 0.00000 0.73720 0.00000 0.00000 -0.22364
|
|
44 14F-2 0.00000 1.04244 0.00000 0.00000 -0.82726
|
|
45 14F+3 0.03761 0.00000 -0.83256 0.11935 0.00000
|
|
46 14F-3 0.81894 0.00000 0.47583 0.02229 0.00000
|
|
47 2 S 1S 0.00048 0.00000 -0.00264 -0.00540 0.00000
|
|
48 2S -0.18819 0.00000 -0.14052 -0.22872 0.00000
|
|
49 3S -0.30990 0.00000 -0.30366 -0.51991 0.00000
|
|
50 4S -0.08165 0.00000 -0.16967 -0.30436 0.00000
|
|
51 5S 3.57158 0.00000 7.26695 11.84359 0.00000
|
|
52 6S 0.29334 0.00000 2.04102 3.71036 0.00000
|
|
53 7PX 0.47057 0.00000 0.13844 0.38650 0.00000
|
|
54 7PY -0.22281 0.00000 0.05349 0.03846 0.00000
|
|
55 7PZ 0.00000 0.15216 0.00000 0.00000 0.09306
|
|
56 8PX 4.10186 0.00000 1.73144 4.26421 0.00000
|
|
57 8PY -1.94287 0.00000 0.42736 0.25625 0.00000
|
|
58 8PZ 0.00000 1.03932 0.00000 0.00000 0.53301
|
|
59 9PX -1.56636 0.00000 -0.46243 -1.29754 0.00000
|
|
60 9PY 0.69524 0.00000 -0.17057 -0.13330 0.00000
|
|
61 9PZ 0.00000 -0.51664 0.00000 0.00000 -0.34040
|
|
62 10PX -0.04424 0.00000 1.12792 3.89024 0.00000
|
|
63 10PY 0.58979 0.00000 1.32145 3.33781 0.00000
|
|
64 10PZ 0.00000 0.82712 0.00000 0.00000 -0.32453
|
|
65 11PX 0.02914 0.00000 0.01745 -0.14047 0.00000
|
|
66 11PY 0.04007 0.00000 0.03965 0.47593 0.00000
|
|
67 11PZ 0.00000 0.03670 0.00000 0.00000 -0.13429
|
|
68 12D 0 -0.97931 0.00000 -1.28414 -1.56131 0.00000
|
|
69 12D+1 0.00000 0.51921 0.00000 0.00000 -0.04601
|
|
70 12D-1 0.00000 0.83465 0.00000 0.00000 0.53300
|
|
71 12D+2 1.96820 0.00000 1.22527 1.30146 0.00000
|
|
72 12D-2 -0.45010 0.00000 -0.93139 -0.12535 0.00000
|
|
73 13D 0 0.02001 0.00000 0.07831 0.01631 0.00000
|
|
74 13D+1 0.00000 -0.08965 0.00000 0.00000 0.00138
|
|
75 13D-1 0.00000 -0.14490 0.00000 0.00000 -0.10712
|
|
76 13D+2 0.08199 0.00000 -0.02571 0.16317 0.00000
|
|
77 13D-2 0.02998 0.00000 0.07790 -0.09974 0.00000
|
|
78 14D 0 -0.07281 0.00000 -0.80325 -0.73959 0.00000
|
|
79 14D+1 0.00000 0.41069 0.00000 0.00000 -0.07466
|
|
80 14D-1 0.00000 0.17937 0.00000 0.00000 -0.21644
|
|
81 14D+2 -0.41962 0.00000 0.29138 -0.18334 0.00000
|
|
82 14D-2 -0.41171 0.00000 -0.74769 0.19260 0.00000
|
|
83 15F 0 0.00000 -0.12275 0.00000 0.00000 -0.19253
|
|
84 15F+1 -0.75640 0.00000 -0.13156 -0.17466 0.00000
|
|
85 15F-1 0.13668 0.00000 -0.01542 0.09076 0.00000
|
|
86 15F+2 0.00000 -0.16658 0.00000 0.00000 -0.24805
|
|
87 15F-2 0.00000 0.07003 0.00000 0.00000 -0.00110
|
|
88 15F+3 0.60471 0.00000 0.21964 0.17053 0.00000
|
|
89 15F-3 -0.22984 0.00000 -0.04995 -0.23033 0.00000
|
|
90 16F 0 0.00000 -0.19418 0.00000 0.00000 -0.02544
|
|
91 16F+1 0.12551 0.00000 -0.18530 -0.50387 0.00000
|
|
92 16F-1 -0.24356 0.00000 -0.40583 -0.19536 0.00000
|
|
93 16F+2 0.00000 -0.05172 0.00000 0.00000 -0.06650
|
|
94 16F-2 0.00000 0.28564 0.00000 0.00000 0.00561
|
|
95 16F+3 0.31788 0.00000 0.67779 0.50916 0.00000
|
|
96 16F-3 0.06968 0.00000 0.13011 -0.28871 0.00000
|
|
97 3 H 1S -0.72444 0.00000 0.43611 1.00736 0.00000
|
|
98 2S -2.78108 0.00000 -3.82306 -6.36323 0.00000
|
|
99 3S -2.98959 0.00000 -2.54799 -4.37278 0.00000
|
|
100 4S -0.09511 0.00000 -0.20643 0.06968 0.00000
|
|
101 5PX -0.10226 0.00000 0.02505 0.11707 0.00000
|
|
102 5PY 0.00587 0.00000 0.01023 -0.02343 0.00000
|
|
103 5PZ 0.00000 0.03015 0.00000 0.00000 0.01309
|
|
104 6PX 2.27338 0.00000 1.51363 2.64493 0.00000
|
|
105 6PY -0.34106 0.00000 -0.31563 -0.34880 0.00000
|
|
106 6PZ 0.00000 -0.17286 0.00000 0.00000 0.01753
|
|
107 7PX 0.90116 0.00000 0.87296 1.40899 0.00000
|
|
108 7PY -0.55116 0.00000 0.49357 -0.29797 0.00000
|
|
109 7PZ 0.00000 -0.16395 0.00000 0.00000 0.04740
|
|
110 8D 0 0.17532 0.00000 0.01286 -0.17746 0.00000
|
|
111 8D+1 0.00000 0.02219 0.00000 0.00000 0.01684
|
|
112 8D-1 0.00000 0.04551 0.00000 0.00000 0.12019
|
|
113 8D+2 -0.29268 0.00000 0.01529 0.01327 0.00000
|
|
114 8D-2 0.06930 0.00000 0.00521 -0.01396 0.00000
|
|
115 9D 0 0.05457 0.00000 -0.06202 0.22272 0.00000
|
|
116 9D+1 0.00000 0.11237 0.00000 0.00000 -0.00856
|
|
117 9D-1 0.00000 0.06618 0.00000 0.00000 -0.08861
|
|
118 9D+2 -0.09953 0.00000 -0.28414 -0.46634 0.00000
|
|
119 9D-2 0.04151 0.00000 0.02229 0.07835 0.00000
|
|
120 4 H 1S 0.03450 0.00000 -0.99861 0.24167 0.00000
|
|
121 2S -3.75259 0.00000 7.03826 -5.32821 0.00000
|
|
122 3S -8.01541 0.00000 11.25206 -8.62769 0.00000
|
|
123 4S -0.14836 0.00000 0.61003 -0.81744 0.00000
|
|
124 5PX -0.01966 0.00000 0.28578 -0.19912 0.00000
|
|
125 5PY -0.00529 0.00000 0.00343 0.10088 0.00000
|
|
126 5PZ 0.00000 -0.00777 0.00000 0.00000 -0.16196
|
|
127 6PX -1.14314 0.00000 2.26574 -1.38622 0.00000
|
|
128 6PY -0.39611 0.00000 -0.67655 0.47858 0.00000
|
|
129 6PZ 0.00000 0.39242 0.00000 0.00000 -0.99005
|
|
130 7PX -1.75851 0.00000 1.55668 -1.33137 0.00000
|
|
131 7PY -0.31038 0.00000 -0.45547 0.82529 0.00000
|
|
132 7PZ 0.00000 -0.82116 0.00000 0.00000 -0.10082
|
|
133 8D 0 0.04030 0.00000 -0.06553 0.01514 0.00000
|
|
134 8D+1 0.00000 -0.14164 0.00000 0.00000 -0.14887
|
|
135 8D-1 0.00000 0.10411 0.00000 0.00000 0.03740
|
|
136 8D+2 -0.12200 0.00000 0.16180 -0.09790 0.00000
|
|
137 8D-2 0.04109 0.00000 0.05835 0.06464 0.00000
|
|
138 9D 0 0.05820 0.00000 -0.22395 0.28806 0.00000
|
|
139 9D+1 0.00000 0.21468 0.00000 0.00000 -0.45111
|
|
140 9D-1 0.00000 0.65795 0.00000 0.00000 -0.23096
|
|
141 9D+2 0.19224 0.00000 0.11909 0.25001 0.00000
|
|
142 9D-2 -0.45464 0.00000 0.21096 -0.06371 0.00000
|
|
143 5 H 1S 0.07775 -0.86509 0.52692 -0.13731 0.06051
|
|
144 2S -2.53719 6.06206 -2.62527 2.45931 2.21866
|
|
145 3S -0.61066 10.01906 -5.91829 3.03555 3.85563
|
|
146 4S -0.17029 0.74773 -0.23463 0.21566 0.08687
|
|
147 5PX 0.01844 -0.12192 0.04447 -0.15712 0.13622
|
|
148 5PY -0.00406 -0.06956 0.03571 0.02080 -0.23312
|
|
149 5PZ 0.00830 -0.24631 0.15160 -0.02260 -0.03561
|
|
150 6PX 0.21092 -1.10708 0.07342 -0.40633 0.06946
|
|
151 6PY 0.22449 -0.62389 0.26490 -0.42414 -0.23481
|
|
152 6PZ 0.55876 -1.63138 1.10215 -0.46436 -0.63621
|
|
153 7PX -0.02184 -0.21696 1.29915 -0.41034 -0.51381
|
|
154 7PY -0.02109 -0.92862 0.70536 -0.51043 -0.18337
|
|
155 7PZ -0.01000 -1.43426 0.21557 -0.12463 -0.85049
|
|
156 8D 0 -0.04911 0.15172 0.04519 -0.01034 0.04099
|
|
157 8D+1 -0.06444 0.04098 -0.09921 0.05363 -0.17710
|
|
158 8D-1 -0.05494 0.02269 0.05845 0.00547 0.21402
|
|
159 8D+2 -0.01236 0.04694 -0.01651 0.16724 0.10237
|
|
160 8D-2 -0.02477 -0.05058 -0.04085 0.08432 0.04793
|
|
161 9D 0 0.04517 -0.11278 -0.25446 -0.04301 0.10422
|
|
162 9D+1 0.10249 0.30071 -0.06871 -0.09797 0.06330
|
|
163 9D-1 0.16603 0.01974 0.35803 0.03156 -0.18979
|
|
164 9D+2 -0.06615 -0.13964 0.25933 -0.09753 -0.13107
|
|
165 9D-2 0.14347 -0.41546 -0.46603 0.14988 0.02557
|
|
166 6 H 1S 0.07775 0.86509 0.52692 -0.13731 -0.06051
|
|
167 2S -2.53719 -6.06206 -2.62527 2.45931 -2.21866
|
|
168 3S -0.61066 -10.01906 -5.91829 3.03555 -3.85563
|
|
169 4S -0.17029 -0.74773 -0.23463 0.21566 -0.08687
|
|
170 5PX 0.01844 0.12192 0.04447 -0.15712 -0.13622
|
|
171 5PY -0.00406 0.06956 0.03571 0.02080 0.23312
|
|
172 5PZ -0.00830 -0.24631 -0.15160 0.02260 -0.03561
|
|
173 6PX 0.21092 1.10708 0.07342 -0.40633 -0.06946
|
|
174 6PY 0.22449 0.62389 0.26490 -0.42414 0.23481
|
|
175 6PZ -0.55876 -1.63138 -1.10215 0.46436 -0.63621
|
|
176 7PX -0.02184 0.21696 1.29915 -0.41034 0.51381
|
|
177 7PY -0.02109 0.92862 0.70536 -0.51043 0.18337
|
|
178 7PZ 0.01000 -1.43426 -0.21557 0.12463 -0.85049
|
|
179 8D 0 -0.04911 -0.15172 0.04519 -0.01034 -0.04099
|
|
180 8D+1 0.06444 0.04098 0.09921 -0.05363 -0.17710
|
|
181 8D-1 0.05494 0.02269 -0.05845 -0.00547 0.21402
|
|
182 8D+2 -0.01236 -0.04694 -0.01651 0.16724 -0.10237
|
|
183 8D-2 -0.02477 0.05058 -0.04085 0.08432 -0.04793
|
|
184 9D 0 0.04517 0.11278 -0.25446 -0.04301 -0.10422
|
|
185 9D+1 -0.10249 0.30071 0.06871 0.09797 0.06330
|
|
186 9D-1 -0.16603 0.01974 -0.35803 -0.03156 -0.18979
|
|
187 9D+2 -0.06615 0.13964 0.25933 -0.09753 0.13107
|
|
188 9D-2 0.14347 0.41546 -0.46603 0.14988 -0.02557
|
|
141 142 143 144 145
|
|
V V V V V
|
|
Eigenvalues -- 3.57508 3.58562 3.58924 3.60730 3.64077
|
|
1 1 C 1S -0.00036 0.00000 -0.00695 0.00000 -0.00288
|
|
2 2S -0.04568 0.00000 0.22089 0.00000 0.00464
|
|
3 3S -0.01775 0.00000 0.25306 0.00000 -0.03755
|
|
4 4S -1.79041 0.00000 -2.42478 0.00000 2.05125
|
|
5 5S -0.99787 0.00000 -1.15942 0.00000 -0.57959
|
|
6 6PX -0.27529 0.00000 -0.10485 0.00000 -0.86236
|
|
7 6PY 0.10337 0.00000 -0.62582 0.00000 -0.07186
|
|
8 6PZ 0.00000 -0.56240 0.00000 -0.69419 0.00000
|
|
9 7PX 1.67811 0.00000 0.56392 0.00000 4.98473
|
|
10 7PY -0.53569 0.00000 2.05914 0.00000 0.42908
|
|
11 7PZ 0.00000 3.16276 0.00000 3.94014 0.00000
|
|
12 8PX 3.38769 0.00000 2.63739 0.00000 6.49730
|
|
13 8PY 0.80412 0.00000 4.57298 0.00000 0.86770
|
|
14 8PZ 0.00000 4.85358 0.00000 5.74832 0.00000
|
|
15 9PX -0.11269 0.00000 0.18016 0.00000 0.47059
|
|
16 9PY 0.12586 0.00000 0.65754 0.00000 0.25123
|
|
17 9PZ 0.00000 0.44040 0.00000 0.58842 0.00000
|
|
18 10D 0 -0.27647 0.00000 -0.35745 0.00000 -0.02416
|
|
19 10D+1 0.00000 -0.16763 0.00000 -0.09568 0.00000
|
|
20 10D-1 0.00000 -0.02871 0.00000 -0.13722 0.00000
|
|
21 10D+2 0.16669 0.00000 -0.07835 0.00000 -0.04510
|
|
22 10D-2 0.39002 0.00000 0.11728 0.00000 -0.10702
|
|
23 11D 0 1.54163 0.00000 1.78427 0.00000 2.12251
|
|
24 11D+1 0.00000 1.85883 0.00000 1.90123 0.00000
|
|
25 11D-1 0.00000 0.97127 0.00000 1.45315 0.00000
|
|
26 11D+2 -1.33078 0.00000 0.43171 0.00000 -1.15178
|
|
27 11D-2 -0.51693 0.00000 -0.11548 0.00000 1.58583
|
|
28 12D 0 1.22475 0.00000 0.39971 0.00000 0.56464
|
|
29 12D+1 0.00000 0.42141 0.00000 0.21171 0.00000
|
|
30 12D-1 0.00000 0.69614 0.00000 0.70901 0.00000
|
|
31 12D+2 -0.62852 0.00000 0.32366 0.00000 -0.30337
|
|
32 12D-2 1.06485 0.00000 -0.02985 0.00000 0.92469
|
|
33 13F 0 0.00000 -0.65489 0.00000 0.54455 0.00000
|
|
34 13F+1 -0.16793 0.00000 -0.53185 0.00000 0.05156
|
|
35 13F-1 0.08834 0.00000 0.27974 0.00000 -0.50775
|
|
36 13F+2 0.00000 0.54658 0.00000 -0.15968 0.00000
|
|
37 13F-2 0.00000 -0.29631 0.00000 -0.63194 0.00000
|
|
38 13F+3 -0.63158 0.00000 0.07088 0.00000 -0.06168
|
|
39 13F-3 -0.29973 0.00000 0.47026 0.00000 0.49368
|
|
40 14F 0 0.00000 0.62978 0.00000 0.08327 0.00000
|
|
41 14F+1 -0.01412 0.00000 1.18157 0.00000 0.30262
|
|
42 14F-1 0.22198 0.00000 -0.23565 0.00000 1.30832
|
|
43 14F+2 0.00000 -0.05437 0.00000 0.46239 0.00000
|
|
44 14F-2 0.00000 0.90763 0.00000 1.39386 0.00000
|
|
45 14F+3 0.64044 0.00000 -0.15911 0.00000 0.82617
|
|
46 14F-3 0.25148 0.00000 -1.38894 0.00000 -0.84805
|
|
47 2 S 1S -0.00738 0.00000 0.00016 0.00000 -0.00325
|
|
48 2S -0.12410 0.00000 0.04396 0.00000 -0.06137
|
|
49 3S -0.39488 0.00000 0.07801 0.00000 -0.18692
|
|
50 4S -0.29882 0.00000 -0.01503 0.00000 -0.16887
|
|
51 5S 6.70901 0.00000 1.01641 0.00000 4.06323
|
|
52 6S 1.92120 0.00000 1.25437 0.00000 1.46348
|
|
53 7PX 0.20791 0.00000 -0.18939 0.00000 0.19674
|
|
54 7PY -0.08270 0.00000 0.19472 0.00000 -0.02017
|
|
55 7PZ 0.00000 0.00565 0.00000 0.02801 0.00000
|
|
56 8PX 2.75586 0.00000 -2.14506 0.00000 2.19789
|
|
57 8PY -0.91539 0.00000 2.30776 0.00000 -0.32470
|
|
58 8PZ 0.00000 0.12749 0.00000 0.28601 0.00000
|
|
59 9PX -0.66219 0.00000 0.63834 0.00000 -0.65948
|
|
60 9PY 0.24954 0.00000 -0.61026 0.00000 0.06951
|
|
61 9PZ 0.00000 -0.01943 0.00000 -0.10149 0.00000
|
|
62 10PX 3.08584 0.00000 -1.67225 0.00000 2.13285
|
|
63 10PY 0.36719 0.00000 2.60551 0.00000 -0.02039
|
|
64 10PZ 0.00000 0.04544 0.00000 0.22898 0.00000
|
|
65 11PX 0.19140 0.00000 -0.08363 0.00000 -0.02545
|
|
66 11PY 0.06796 0.00000 0.26936 0.00000 0.12587
|
|
67 11PZ 0.00000 -0.01409 0.00000 0.01391 0.00000
|
|
68 12D 0 -1.07551 0.00000 -0.00765 0.00000 -0.36745
|
|
69 12D+1 0.00000 0.19164 0.00000 0.34024 0.00000
|
|
70 12D-1 0.00000 -0.00005 0.00000 0.29133 0.00000
|
|
71 12D+2 1.91023 0.00000 -2.12206 0.00000 0.77932
|
|
72 12D-2 -1.19288 0.00000 -0.08892 0.00000 0.19197
|
|
73 13D 0 0.04323 0.00000 0.05041 0.00000 -0.04264
|
|
74 13D+1 0.00000 -0.04597 0.00000 -0.07987 0.00000
|
|
75 13D-1 0.00000 0.06288 0.00000 0.01240 0.00000
|
|
76 13D+2 -0.02488 0.00000 -0.01476 0.00000 0.06704
|
|
77 13D-2 0.18545 0.00000 0.11038 0.00000 -0.02683
|
|
78 14D 0 -0.61535 0.00000 -0.05082 0.00000 -0.28521
|
|
79 14D+1 0.00000 -0.03092 0.00000 0.19333 0.00000
|
|
80 14D-1 0.00000 -0.02305 0.00000 0.01385 0.00000
|
|
81 14D+2 0.40866 0.00000 -0.74806 0.00000 0.19932
|
|
82 14D-2 -0.14894 0.00000 -0.03282 0.00000 -0.25034
|
|
83 15F 0 0.00000 0.01317 0.00000 -0.09119 0.00000
|
|
84 15F+1 -0.12576 0.00000 0.15168 0.00000 -0.10117
|
|
85 15F-1 0.08417 0.00000 -0.15943 0.00000 0.01821
|
|
86 15F+2 0.00000 -0.03881 0.00000 -0.08765 0.00000
|
|
87 15F-2 0.00000 -0.00937 0.00000 -0.05541 0.00000
|
|
88 15F+3 0.48832 0.00000 -0.11909 0.00000 0.03665
|
|
89 15F-3 -0.07064 0.00000 -0.03901 0.00000 -0.02684
|
|
90 16F 0 0.00000 -0.12083 0.00000 -0.02503 0.00000
|
|
91 16F+1 -0.30079 0.00000 0.05973 0.00000 -0.30729
|
|
92 16F-1 -0.12417 0.00000 -0.07219 0.00000 0.20541
|
|
93 16F+2 0.00000 0.10587 0.00000 -0.03161 0.00000
|
|
94 16F-2 0.00000 0.02865 0.00000 0.37017 0.00000
|
|
95 16F+3 0.78806 0.00000 -0.22183 0.00000 0.09915
|
|
96 16F-3 -0.07380 0.00000 -0.45118 0.00000 -0.28790
|
|
97 3 H 1S 0.49342 0.00000 -0.29944 0.00000 0.46929
|
|
98 2S -5.18797 0.00000 2.77196 0.00000 -2.95651
|
|
99 3S -3.38270 0.00000 2.47127 0.00000 -2.77646
|
|
100 4S -0.16239 0.00000 0.31448 0.00000 -0.01774
|
|
101 5PX -0.03171 0.00000 -0.03618 0.00000 0.01139
|
|
102 5PY 0.02228 0.00000 0.03148 0.00000 0.00604
|
|
103 5PZ 0.00000 0.00758 0.00000 0.00237 0.00000
|
|
104 6PX 2.13082 0.00000 -1.36178 0.00000 1.25807
|
|
105 6PY -0.12336 0.00000 0.38883 0.00000 -0.20107
|
|
106 6PZ 0.00000 -0.10940 0.00000 -0.07679 0.00000
|
|
107 7PX 1.05251 0.00000 -0.87745 0.00000 0.89799
|
|
108 7PY 0.60214 0.00000 0.15091 0.00000 0.20448
|
|
109 7PZ 0.00000 0.06505 0.00000 -0.19000 0.00000
|
|
110 8D 0 0.13088 0.00000 0.00076 0.00000 -0.01598
|
|
111 8D+1 0.00000 0.00243 0.00000 -0.02930 0.00000
|
|
112 8D-1 0.00000 -0.00875 0.00000 -0.06869 0.00000
|
|
113 8D+2 0.11322 0.00000 -0.00063 0.00000 0.03359
|
|
114 8D-2 0.06801 0.00000 0.01562 0.00000 -0.09720
|
|
115 9D 0 -0.12182 0.00000 -0.05150 0.00000 0.17405
|
|
116 9D+1 0.00000 0.01684 0.00000 0.05993 0.00000
|
|
117 9D-1 0.00000 0.11398 0.00000 -0.11359 0.00000
|
|
118 9D+2 -0.51432 0.00000 0.33738 0.00000 -0.07186
|
|
119 9D-2 -0.18646 0.00000 -0.13693 0.00000 -0.00576
|
|
120 4 H 1S -0.08407 0.00000 0.01528 0.00000 -0.05035
|
|
121 2S 3.37389 0.00000 0.97405 0.00000 6.01972
|
|
122 3S 6.15333 0.00000 2.33619 0.00000 6.90433
|
|
123 4S 0.01670 0.00000 0.18549 0.00000 0.50394
|
|
124 5PX -0.01392 0.00000 0.05446 0.00000 0.09056
|
|
125 5PY -0.28494 0.00000 0.08159 0.00000 0.17885
|
|
126 5PZ 0.00000 0.30302 0.00000 0.01648 0.00000
|
|
127 6PX 1.02840 0.00000 0.21081 0.00000 2.02242
|
|
128 6PY -0.43205 0.00000 -0.08920 0.00000 -0.84118
|
|
129 6PZ 0.00000 -0.38913 0.00000 0.30456 0.00000
|
|
130 7PX 1.37569 0.00000 0.34887 0.00000 1.53902
|
|
131 7PY 0.29723 0.00000 -0.72391 0.00000 -0.42444
|
|
132 7PZ 0.00000 -0.77394 0.00000 -0.25734 0.00000
|
|
133 8D 0 0.16860 0.00000 0.22549 0.00000 -0.11855
|
|
134 8D+1 0.00000 0.10905 0.00000 0.09434 0.00000
|
|
135 8D-1 0.00000 -0.10001 0.00000 0.25065 0.00000
|
|
136 8D+2 0.07579 0.00000 0.17695 0.00000 0.07086
|
|
137 8D-2 -0.20383 0.00000 -0.08920 0.00000 0.08838
|
|
138 9D 0 -0.12694 0.00000 0.26309 0.00000 -0.04408
|
|
139 9D+1 0.00000 -0.63617 0.00000 0.19021 0.00000
|
|
140 9D-1 0.00000 0.25173 0.00000 0.15489 0.00000
|
|
141 9D+2 0.29059 0.00000 -0.26022 0.00000 0.17125
|
|
142 9D-2 0.29746 0.00000 -0.25387 0.00000 -0.48901
|
|
143 5 H 1S 0.02448 0.01250 -0.11883 0.00266 0.02969
|
|
144 2S -0.88014 -3.72682 -1.46241 -4.53018 -3.79256
|
|
145 3S -3.16301 -4.52994 -2.02569 -4.92150 -4.18079
|
|
146 4S 0.03170 -0.42023 -0.23890 -0.55581 -0.30654
|
|
147 5PX 0.06113 0.14266 0.06978 -0.11329 0.12542
|
|
148 5PY 0.11686 -0.01472 0.16090 -0.11511 -0.03453
|
|
149 5PZ -0.04540 0.01536 -0.05048 0.19540 -0.01564
|
|
150 6PX 0.56992 -0.01597 0.37144 0.85016 0.45945
|
|
151 6PY 0.08789 0.62480 0.17063 0.84221 0.62069
|
|
152 6PZ 0.01614 1.16998 0.01016 0.91556 0.98542
|
|
153 7PX 0.73031 0.14431 0.24549 0.99517 0.07486
|
|
154 7PY 0.24225 0.39666 -0.11860 0.58395 0.42625
|
|
155 7PZ 0.41847 0.92253 0.49786 0.49476 1.03377
|
|
156 8D 0 0.09140 -0.09810 0.06052 -0.11357 0.03507
|
|
157 8D+1 0.02110 -0.02927 -0.09685 -0.08542 -0.12001
|
|
158 8D-1 -0.07740 0.08367 -0.01565 0.00874 -0.07689
|
|
159 8D+2 -0.13112 0.02449 0.12661 0.02926 -0.05405
|
|
160 8D-2 -0.04822 -0.18714 -0.08134 0.05602 0.15793
|
|
161 9D 0 0.10704 -0.34360 0.06126 0.41567 -0.12817
|
|
162 9D+1 -0.19906 0.26575 -0.35513 -0.17858 0.08174
|
|
163 9D-1 0.00884 -0.20900 0.20467 -0.21778 -0.35301
|
|
164 9D+2 -0.11010 0.27054 0.15696 -0.10220 0.08966
|
|
165 9D-2 0.04399 -0.02247 0.25194 -0.39253 0.12494
|
|
166 6 H 1S 0.02448 -0.01250 -0.11883 -0.00266 0.02969
|
|
167 2S -0.88014 3.72682 -1.46241 4.53018 -3.79256
|
|
168 3S -3.16301 4.52994 -2.02569 4.92150 -4.18079
|
|
169 4S 0.03170 0.42023 -0.23890 0.55581 -0.30654
|
|
170 5PX 0.06113 -0.14266 0.06978 0.11329 0.12542
|
|
171 5PY 0.11686 0.01472 0.16090 0.11511 -0.03453
|
|
172 5PZ 0.04540 0.01536 0.05048 0.19540 0.01564
|
|
173 6PX 0.56992 0.01597 0.37144 -0.85016 0.45945
|
|
174 6PY 0.08789 -0.62480 0.17063 -0.84221 0.62069
|
|
175 6PZ -0.01614 1.16998 -0.01016 0.91556 -0.98542
|
|
176 7PX 0.73031 -0.14431 0.24549 -0.99517 0.07486
|
|
177 7PY 0.24225 -0.39666 -0.11860 -0.58395 0.42625
|
|
178 7PZ -0.41847 0.92253 -0.49786 0.49476 -1.03377
|
|
179 8D 0 0.09140 0.09810 0.06052 0.11357 0.03507
|
|
180 8D+1 -0.02110 -0.02927 0.09685 -0.08542 0.12001
|
|
181 8D-1 0.07740 0.08367 0.01565 0.00874 0.07689
|
|
182 8D+2 -0.13112 -0.02449 0.12661 -0.02926 -0.05405
|
|
183 8D-2 -0.04822 0.18714 -0.08134 -0.05602 0.15793
|
|
184 9D 0 0.10704 0.34360 0.06126 -0.41567 -0.12817
|
|
185 9D+1 0.19906 0.26575 0.35513 -0.17858 -0.08174
|
|
186 9D-1 -0.00884 -0.20900 -0.20467 -0.21778 0.35301
|
|
187 9D+2 -0.11010 -0.27054 0.15696 0.10220 0.08966
|
|
188 9D-2 0.04399 0.02247 0.25194 0.39253 0.12494
|
|
146 147 148 149 150
|
|
V V V V V
|
|
Eigenvalues -- 3.76572 3.78606 3.91641 3.92839 3.99149
|
|
1 1 C 1S 0.00000 -0.00039 0.00000 -0.00008 0.00000
|
|
2 2S 0.00000 0.00341 0.00000 0.00549 0.00000
|
|
3 3S 0.00000 0.03742 0.00000 0.06447 0.00000
|
|
4 4S 0.00000 -2.48635 0.00000 -1.97175 0.00000
|
|
5 5S 0.00000 0.10200 0.00000 -0.15796 0.00000
|
|
6 6PX 0.00000 0.22245 0.00000 -0.74934 0.00000
|
|
7 6PY 0.00000 -0.00704 0.00000 -0.10316 0.00000
|
|
8 6PZ 0.29775 0.00000 -0.71818 0.00000 0.27843
|
|
9 7PX 0.00000 -1.20073 0.00000 5.52484 0.00000
|
|
10 7PY 0.00000 -0.19793 0.00000 0.46955 0.00000
|
|
11 7PZ -1.46155 0.00000 5.14099 0.00000 -2.70360
|
|
12 8PX 0.00000 3.92462 0.00000 1.75779 0.00000
|
|
13 8PY 0.00000 0.79785 0.00000 0.14865 0.00000
|
|
14 8PZ 3.03956 0.00000 1.14164 0.00000 -3.47895
|
|
15 9PX 0.00000 0.34544 0.00000 0.02524 0.00000
|
|
16 9PY 0.00000 -0.07024 0.00000 0.04427 0.00000
|
|
17 9PZ 0.29425 0.00000 -0.06892 0.00000 -0.19456
|
|
18 10D 0 0.00000 -0.55844 0.00000 0.57079 0.00000
|
|
19 10D+1 -0.59979 0.00000 0.61586 0.00000 -0.00957
|
|
20 10D-1 0.31865 0.00000 0.81268 0.00000 0.06061
|
|
21 10D+2 0.00000 0.30904 0.00000 -0.31068 0.00000
|
|
22 10D-2 0.00000 0.44532 0.00000 0.73318 0.00000
|
|
23 11D 0 0.00000 1.76644 0.00000 0.30834 0.00000
|
|
24 11D+1 1.80564 0.00000 0.00292 0.00000 -1.35930
|
|
25 11D-1 -1.12628 0.00000 -0.57255 0.00000 -1.33105
|
|
26 11D+2 0.00000 -0.90974 0.00000 -0.41578 0.00000
|
|
27 11D-2 0.00000 -1.54055 0.00000 -0.51528 0.00000
|
|
28 12D 0 0.00000 0.46277 0.00000 -0.19827 0.00000
|
|
29 12D+1 0.18794 0.00000 -0.20910 0.00000 -1.29592
|
|
30 12D-1 -1.10271 0.00000 -0.67015 0.00000 -0.36385
|
|
31 12D+2 0.00000 0.04429 0.00000 0.11353 0.00000
|
|
32 12D-2 0.00000 -0.90503 0.00000 -0.46693 0.00000
|
|
33 13F 0 0.50828 0.00000 0.22657 0.00000 -0.05192
|
|
34 13F+1 0.00000 0.27002 0.00000 0.06793 0.00000
|
|
35 13F-1 0.00000 -0.12351 0.00000 0.10349 0.00000
|
|
36 13F+2 0.68256 0.00000 0.30816 0.00000 0.11851
|
|
37 13F-2 0.11811 0.00000 0.08497 0.00000 -0.22110
|
|
38 13F+3 0.00000 0.59974 0.00000 0.40381 0.00000
|
|
39 13F-3 0.00000 -0.06771 0.00000 -0.09981 0.00000
|
|
40 14F 0 -0.41539 0.00000 -0.30226 0.00000 -0.24902
|
|
41 14F+1 0.00000 -0.51552 0.00000 -0.23035 0.00000
|
|
42 14F-1 0.00000 0.30440 0.00000 -0.63040 0.00000
|
|
43 14F+2 -0.63915 0.00000 -0.36385 0.00000 -0.20043
|
|
44 14F-2 0.12506 0.00000 -0.71072 0.00000 -0.19875
|
|
45 14F+3 0.00000 -0.39214 0.00000 -0.53948 0.00000
|
|
46 14F-3 0.00000 0.10384 0.00000 0.47459 0.00000
|
|
47 2 S 1S 0.00000 -0.00811 0.00000 -0.00212 0.00000
|
|
48 2S 0.00000 -0.13701 0.00000 -0.01147 0.00000
|
|
49 3S 0.00000 -0.42430 0.00000 -0.07115 0.00000
|
|
50 4S 0.00000 -0.22076 0.00000 -0.03233 0.00000
|
|
51 5S 0.00000 4.96711 0.00000 -0.04670 0.00000
|
|
52 6S 0.00000 0.51801 0.00000 -0.13487 0.00000
|
|
53 7PX 0.00000 0.12652 0.00000 -0.06894 0.00000
|
|
54 7PY 0.00000 -0.00984 0.00000 0.00708 0.00000
|
|
55 7PZ -0.03804 0.00000 -0.06100 0.00000 -0.01155
|
|
56 8PX 0.00000 1.42779 0.00000 -0.76855 0.00000
|
|
57 8PY 0.00000 -0.21562 0.00000 0.09575 0.00000
|
|
58 8PZ -0.45537 0.00000 -0.58051 0.00000 -0.18217
|
|
59 9PX 0.00000 -0.44392 0.00000 0.24646 0.00000
|
|
60 9PY 0.00000 0.01613 0.00000 -0.03922 0.00000
|
|
61 9PZ 0.11585 0.00000 0.22826 0.00000 0.04196
|
|
62 10PX 0.00000 0.79724 0.00000 -0.26217 0.00000
|
|
63 10PY 0.00000 1.00432 0.00000 0.19066 0.00000
|
|
64 10PZ -1.26498 0.00000 -0.29553 0.00000 -0.12280
|
|
65 11PX 0.00000 -0.04107 0.00000 0.03772 0.00000
|
|
66 11PY 0.00000 0.00092 0.00000 0.03410 0.00000
|
|
67 11PZ -0.05806 0.00000 0.08629 0.00000 -0.06366
|
|
68 12D 0 0.00000 -0.84771 0.00000 -0.17238 0.00000
|
|
69 12D+1 -0.17350 0.00000 -0.18517 0.00000 0.01467
|
|
70 12D-1 -0.49361 0.00000 -0.54163 0.00000 -0.17586
|
|
71 12D+2 0.00000 1.12179 0.00000 -0.04480 0.00000
|
|
72 12D-2 0.00000 -0.95757 0.00000 -0.66717 0.00000
|
|
73 13D 0 0.00000 0.04999 0.00000 0.03094 0.00000
|
|
74 13D+1 0.04528 0.00000 0.02766 0.00000 -0.01222
|
|
75 13D-1 0.05002 0.00000 -0.00188 0.00000 -0.02420
|
|
76 13D+2 0.00000 -0.04221 0.00000 -0.02801 0.00000
|
|
77 13D-2 0.00000 0.05962 0.00000 0.03208 0.00000
|
|
78 14D 0 0.00000 -0.19898 0.00000 0.09423 0.00000
|
|
79 14D+1 0.11526 0.00000 0.03690 0.00000 0.09247
|
|
80 14D-1 -0.49175 0.00000 0.00129 0.00000 -0.22623
|
|
81 14D+2 0.00000 -0.01293 0.00000 -0.12582 0.00000
|
|
82 14D-2 0.00000 -0.19193 0.00000 0.10309 0.00000
|
|
83 15F 0 -0.16353 0.00000 0.09893 0.00000 0.04774
|
|
84 15F+1 0.00000 -0.04463 0.00000 0.04960 0.00000
|
|
85 15F-1 0.00000 -0.07713 0.00000 -0.08872 0.00000
|
|
86 15F+2 -0.17096 0.00000 0.15194 0.00000 0.08205
|
|
87 15F-2 -0.12919 0.00000 -0.06145 0.00000 0.21440
|
|
88 15F+3 0.00000 0.07130 0.00000 0.16593 0.00000
|
|
89 15F-3 0.00000 -0.08715 0.00000 0.02748 0.00000
|
|
90 16F 0 0.24703 0.00000 0.11503 0.00000 0.02701
|
|
91 16F+1 0.00000 -0.27817 0.00000 0.04856 0.00000
|
|
92 16F-1 0.00000 0.04636 0.00000 -0.05349 0.00000
|
|
93 16F+2 0.22981 0.00000 0.07014 0.00000 0.00150
|
|
94 16F-2 0.08003 0.00000 -0.07177 0.00000 -0.15838
|
|
95 16F+3 0.00000 0.67260 0.00000 0.16659 0.00000
|
|
96 16F-3 0.00000 -0.03454 0.00000 -0.04005 0.00000
|
|
97 3 H 1S 0.00000 0.45015 0.00000 -0.05817 0.00000
|
|
98 2S 0.00000 -3.44825 0.00000 0.11344 0.00000
|
|
99 3S 0.00000 -1.89551 0.00000 0.49028 0.00000
|
|
100 4S 0.00000 -0.17419 0.00000 0.09154 0.00000
|
|
101 5PX 0.00000 0.09721 0.00000 0.01846 0.00000
|
|
102 5PY 0.00000 -0.06507 0.00000 -0.03789 0.00000
|
|
103 5PZ -0.05666 0.00000 -0.03463 0.00000 0.00942
|
|
104 6PX 0.00000 1.21522 0.00000 -0.14701 0.00000
|
|
105 6PY 0.00000 -0.20392 0.00000 0.16287 0.00000
|
|
106 6PZ 0.10748 0.00000 0.07444 0.00000 -0.00129
|
|
107 7PX 0.00000 0.50917 0.00000 -0.16521 0.00000
|
|
108 7PY 0.00000 -0.40560 0.00000 -0.00104 0.00000
|
|
109 7PZ 0.13303 0.00000 0.08555 0.00000 0.11129
|
|
110 8D 0 0.00000 -0.34819 0.00000 -0.02704 0.00000
|
|
111 8D+1 0.05028 0.00000 0.01248 0.00000 -0.12582
|
|
112 8D-1 0.01254 0.00000 -0.02901 0.00000 -1.01551
|
|
113 8D+2 0.00000 -0.16510 0.00000 0.00372 0.00000
|
|
114 8D-2 0.00000 -0.11197 0.00000 0.06142 0.00000
|
|
115 9D 0 0.00000 0.21469 0.00000 -0.06835 0.00000
|
|
116 9D+1 -0.09323 0.00000 -0.03034 0.00000 0.03587
|
|
117 9D-1 0.02378 0.00000 0.05471 0.00000 0.62040
|
|
118 9D+2 0.00000 0.02494 0.00000 -0.00982 0.00000
|
|
119 9D-2 0.00000 0.03027 0.00000 -0.07596 0.00000
|
|
120 4 H 1S 0.00000 0.21052 0.00000 -0.26022 0.00000
|
|
121 2S 0.00000 0.51634 0.00000 4.09668 0.00000
|
|
122 3S 0.00000 3.28629 0.00000 4.90654 0.00000
|
|
123 4S 0.00000 0.19580 0.00000 0.33181 0.00000
|
|
124 5PX 0.00000 0.05527 0.00000 -0.45550 0.00000
|
|
125 5PY 0.00000 -0.06955 0.00000 0.07832 0.00000
|
|
126 5PZ 0.24158 0.00000 0.05590 0.00000 -0.03370
|
|
127 6PX 0.00000 -0.71379 0.00000 3.43256 0.00000
|
|
128 6PY 0.00000 -0.59679 0.00000 -1.64898 0.00000
|
|
129 6PZ 0.70751 0.00000 -0.63666 0.00000 -0.24351
|
|
130 7PX 0.00000 0.42227 0.00000 2.00438 0.00000
|
|
131 7PY 0.00000 -0.93021 0.00000 -1.09991 0.00000
|
|
132 7PZ 0.12384 0.00000 0.01765 0.00000 -0.81259
|
|
133 8D 0 0.00000 -0.08356 0.00000 0.07456 0.00000
|
|
134 8D+1 0.02385 0.00000 -0.04536 0.00000 0.10784
|
|
135 8D-1 -0.33982 0.00000 -0.07283 0.00000 0.14244
|
|
136 8D+2 0.00000 0.04735 0.00000 0.09703 0.00000
|
|
137 8D-2 0.00000 -0.12092 0.00000 -0.13467 0.00000
|
|
138 9D 0 0.00000 -0.06748 0.00000 -0.75787 0.00000
|
|
139 9D+1 0.33125 0.00000 -0.27825 0.00000 -0.22983
|
|
140 9D-1 0.06861 0.00000 -0.01378 0.00000 0.01048
|
|
141 9D+2 0.00000 -0.66569 0.00000 0.52472 0.00000
|
|
142 9D-2 0.00000 0.05465 0.00000 -0.69515 0.00000
|
|
143 5 H 1S -0.25857 -0.10629 0.28072 0.15713 0.02595
|
|
144 2S 0.32513 0.27532 -2.71854 -1.51529 3.32195
|
|
145 3S -1.74971 -1.54619 -3.08931 -1.90194 4.68016
|
|
146 4S -0.17968 -0.05685 -0.20202 -0.17842 0.21242
|
|
147 5PX -0.08388 0.19852 -0.18888 -0.05112 0.09097
|
|
148 5PY -0.04310 -0.01288 -0.14377 -0.10500 0.03677
|
|
149 5PZ 0.07585 -0.05538 -0.32206 -0.21675 -0.00445
|
|
150 6PX -0.66769 0.32836 1.47771 0.32163 -0.74882
|
|
151 6PY 0.27269 0.18526 1.48714 0.81186 -0.51108
|
|
152 6PZ -0.42336 -0.70103 2.12988 1.63676 -1.10567
|
|
153 7PX -0.07963 0.07081 0.61857 0.41601 -0.41717
|
|
154 7PY 0.78692 0.52768 0.99023 0.50316 -0.35513
|
|
155 7PZ 0.12331 -0.03746 1.29801 0.77154 -0.78330
|
|
156 8D 0 -0.01518 0.04885 0.03467 -0.02523 0.21615
|
|
157 8D+1 -0.09120 -0.03845 0.02100 0.04388 -0.02634
|
|
158 8D-1 -0.18029 0.05521 -0.07789 0.02339 0.04575
|
|
159 8D+2 0.07804 -0.02173 -0.03156 0.01135 0.07934
|
|
160 8D-2 0.11610 -0.24924 0.00893 -0.12335 0.15885
|
|
161 9D 0 0.24807 0.47492 -0.29243 -0.39104 0.01807
|
|
162 9D+1 0.39717 0.08515 -0.66622 -0.28674 0.25342
|
|
163 9D-1 0.04571 -0.07137 -0.63818 -0.32614 -0.00942
|
|
164 9D+2 0.42420 -0.00843 0.13559 0.16205 0.07775
|
|
165 9D-2 0.02059 0.06453 -0.32685 -0.20670 0.00189
|
|
166 6 H 1S 0.25857 -0.10629 -0.28072 0.15713 -0.02595
|
|
167 2S -0.32513 0.27532 2.71854 -1.51529 -3.32195
|
|
168 3S 1.74971 -1.54619 3.08931 -1.90194 -4.68016
|
|
169 4S 0.17968 -0.05685 0.20202 -0.17842 -0.21242
|
|
170 5PX 0.08388 0.19852 0.18888 -0.05112 -0.09097
|
|
171 5PY 0.04310 -0.01288 0.14377 -0.10500 -0.03677
|
|
172 5PZ 0.07585 0.05538 -0.32206 0.21675 -0.00445
|
|
173 6PX 0.66769 0.32836 -1.47771 0.32163 0.74882
|
|
174 6PY -0.27269 0.18526 -1.48714 0.81186 0.51108
|
|
175 6PZ -0.42336 0.70103 2.12988 -1.63676 -1.10567
|
|
176 7PX 0.07963 0.07081 -0.61857 0.41601 0.41717
|
|
177 7PY -0.78692 0.52768 -0.99023 0.50316 0.35513
|
|
178 7PZ 0.12331 0.03746 1.29801 -0.77154 -0.78330
|
|
179 8D 0 0.01518 0.04885 -0.03467 -0.02523 -0.21615
|
|
180 8D+1 -0.09120 0.03845 0.02100 -0.04388 -0.02634
|
|
181 8D-1 -0.18029 -0.05521 -0.07789 -0.02339 0.04575
|
|
182 8D+2 -0.07804 -0.02173 0.03156 0.01135 -0.07934
|
|
183 8D-2 -0.11610 -0.24924 -0.00893 -0.12335 -0.15885
|
|
184 9D 0 -0.24807 0.47492 0.29243 -0.39104 -0.01807
|
|
185 9D+1 0.39717 -0.08515 -0.66622 0.28674 0.25342
|
|
186 9D-1 0.04571 0.07137 -0.63818 0.32614 -0.00942
|
|
187 9D+2 -0.42420 -0.00843 -0.13559 0.16205 -0.07775
|
|
188 9D-2 -0.02059 0.06453 0.32685 -0.20670 -0.00189
|
|
151 152 153 154 155
|
|
V V V V V
|
|
Eigenvalues -- 4.00203 4.06794 4.09421 4.10073 4.11546
|
|
1 1 C 1S -0.00173 0.00000 0.00000 -0.02128 0.00424
|
|
2 2S -0.16198 0.00000 0.00000 -0.05543 0.04745
|
|
3 3S -0.27787 0.00000 0.00000 -0.33752 0.11468
|
|
4 4S 2.74105 0.00000 0.00000 6.58239 -1.25105
|
|
5 5S -0.12757 0.00000 0.00000 -1.08934 0.08689
|
|
6 6PX -0.11617 0.00000 0.00000 -0.16104 -0.79208
|
|
7 6PY 0.22340 0.00000 0.00000 -0.10487 -0.14713
|
|
8 6PZ 0.00000 0.35926 0.77995 0.00000 0.00000
|
|
9 7PX 1.76359 0.00000 0.00000 1.39503 7.57415
|
|
10 7PY -0.90624 0.00000 0.00000 -0.30815 0.92056
|
|
11 7PZ 0.00000 -3.38803 -7.32139 0.00000 0.00000
|
|
12 8PX 3.23053 0.00000 0.00000 0.40581 7.46642
|
|
13 8PY 0.73914 0.00000 0.00000 5.90517 -0.39974
|
|
14 8PZ 0.00000 -3.42773 -6.27259 0.00000 0.00000
|
|
15 9PX 0.07183 0.00000 0.00000 0.06101 0.25794
|
|
16 9PY 0.06924 0.00000 0.00000 0.67398 -0.02872
|
|
17 9PZ 0.00000 -0.11334 -0.15754 0.00000 0.00000
|
|
18 10D 0 -0.26135 0.00000 0.00000 -0.45104 0.09429
|
|
19 10D+1 0.00000 -0.00829 -0.04379 0.00000 0.00000
|
|
20 10D-1 0.00000 0.13342 0.25702 0.00000 0.00000
|
|
21 10D+2 -0.12280 0.00000 0.00000 -0.94868 0.19789
|
|
22 10D-2 0.16204 0.00000 0.00000 -0.21737 -0.37984
|
|
23 11D 0 1.58677 0.00000 0.00000 2.25760 3.69325
|
|
24 11D+1 0.00000 -1.74860 -3.73336 0.00000 0.00000
|
|
25 11D-1 0.00000 -1.83187 -3.76454 0.00000 0.00000
|
|
26 11D+2 -1.03547 0.00000 0.00000 3.00308 -2.98688
|
|
27 11D-2 0.33717 0.00000 0.00000 1.10057 3.82560
|
|
28 12D 0 0.60876 0.00000 0.00000 1.22476 0.46357
|
|
29 12D+1 0.00000 -0.56450 -0.25115 0.00000 0.00000
|
|
30 12D-1 0.00000 -0.72340 -1.63124 0.00000 0.00000
|
|
31 12D+2 -0.36021 0.00000 0.00000 1.15485 -0.56518
|
|
32 12D-2 0.77028 0.00000 0.00000 0.07224 1.07477
|
|
33 13F 0 0.00000 0.06955 0.10026 0.00000 0.00000
|
|
34 13F+1 -0.02219 0.00000 0.00000 0.04267 -0.03557
|
|
35 13F-1 0.26256 0.00000 0.00000 -0.11035 0.41075
|
|
36 13F+2 0.00000 0.07992 0.23520 0.00000 0.00000
|
|
37 13F-2 0.00000 -0.26613 -0.56171 0.00000 0.00000
|
|
38 13F+3 0.25639 0.00000 0.00000 -0.00210 -0.14885
|
|
39 13F-3 -0.00075 0.00000 0.00000 -0.28422 -0.45437
|
|
40 14F 0 0.00000 0.14498 -0.40368 0.00000 0.00000
|
|
41 14F+1 0.21269 0.00000 0.00000 1.11524 -0.22780
|
|
42 14F-1 0.00836 0.00000 0.00000 -0.01220 0.92512
|
|
43 14F+2 0.00000 -0.40301 -0.18251 0.00000 0.00000
|
|
44 14F-2 0.00000 -0.42026 -0.65472 0.00000 0.00000
|
|
45 14F+3 -0.33007 0.00000 0.00000 -0.02076 0.81758
|
|
46 14F-3 -0.05791 0.00000 0.00000 -0.21451 -0.47511
|
|
47 2 S 1S 0.00730 0.00000 0.00000 0.01445 -0.00401
|
|
48 2S 0.11122 0.00000 0.00000 -0.25966 -0.02507
|
|
49 3S 0.33770 0.00000 0.00000 -0.05933 -0.13589
|
|
50 4S -0.00839 0.00000 0.00000 0.28624 -0.06150
|
|
51 5S 0.01130 0.00000 0.00000 4.91803 0.31739
|
|
52 6S 0.15558 0.00000 0.00000 2.68503 0.02212
|
|
53 7PX 0.05613 0.00000 0.00000 0.02540 0.03509
|
|
54 7PY -0.11884 0.00000 0.00000 -0.03438 0.04817
|
|
55 7PZ 0.00000 -0.01129 -0.02362 0.00000 0.00000
|
|
56 8PX 0.62943 0.00000 0.00000 0.34675 0.52823
|
|
57 8PY -0.97360 0.00000 0.00000 1.41897 0.18211
|
|
58 8PZ 0.00000 -0.16344 -0.31705 0.00000 0.00000
|
|
59 9PX -0.17919 0.00000 0.00000 -0.10110 -0.11301
|
|
60 9PY 0.47466 0.00000 0.00000 0.13679 -0.22562
|
|
61 9PZ 0.00000 0.03857 0.07963 0.00000 0.00000
|
|
62 10PX 0.59308 0.00000 0.00000 0.03752 0.75405
|
|
63 10PY -0.21788 0.00000 0.00000 3.16516 -0.23168
|
|
64 10PZ 0.00000 -0.30709 -0.81640 0.00000 0.00000
|
|
65 11PX 0.06021 0.00000 0.00000 -0.05841 0.00292
|
|
66 11PY -0.01313 0.00000 0.00000 0.44802 0.00854
|
|
67 11PZ 0.00000 -0.04300 -0.03902 0.00000 0.00000
|
|
68 12D 0 -0.04101 0.00000 0.00000 -0.21508 -0.06723
|
|
69 12D+1 0.00000 -0.00907 0.00896 0.00000 0.00000
|
|
70 12D-1 0.00000 -0.28224 -0.46203 0.00000 0.00000
|
|
71 12D+2 1.04737 0.00000 0.00000 -0.23373 -0.10221
|
|
72 12D-2 -0.27693 0.00000 0.00000 0.50413 0.80310
|
|
73 13D 0 -0.00203 0.00000 0.00000 -0.20803 0.01207
|
|
74 13D+1 0.00000 0.00690 0.01109 0.00000 0.00000
|
|
75 13D-1 0.00000 0.01017 0.00705 0.00000 0.00000
|
|
76 13D+2 -0.06303 0.00000 0.00000 -0.35400 0.05411
|
|
77 13D-2 -0.03013 0.00000 0.00000 -0.03818 -0.02668
|
|
78 14D 0 0.08468 0.00000 0.00000 -0.40398 -0.03904
|
|
79 14D+1 0.00000 0.04735 -0.01399 0.00000 0.00000
|
|
80 14D-1 0.00000 -0.20306 -0.22550 0.00000 0.00000
|
|
81 14D+2 0.19689 0.00000 0.00000 -0.33125 -0.02688
|
|
82 14D-2 0.14517 0.00000 0.00000 -0.01464 0.13877
|
|
83 15F 0 0.00000 0.02209 -0.01986 0.00000 0.00000
|
|
84 15F+1 -0.22154 0.00000 0.00000 -0.02811 0.05359
|
|
85 15F-1 0.14728 0.00000 0.00000 -0.00908 -0.09526
|
|
86 15F+2 0.00000 0.02112 0.00717 0.00000 0.00000
|
|
87 15F-2 0.00000 0.06640 -0.04463 0.00000 0.00000
|
|
88 15F+3 -0.08470 0.00000 0.00000 -0.11832 0.02265
|
|
89 15F-3 0.15161 0.00000 0.00000 -0.09310 -0.03578
|
|
90 16F 0 0.00000 -0.00369 0.20247 0.00000 0.00000
|
|
91 16F+1 0.09104 0.00000 0.00000 -0.06669 -0.14115
|
|
92 16F-1 -0.02753 0.00000 0.00000 -0.05729 -0.01481
|
|
93 16F+2 0.00000 0.16063 0.21074 0.00000 0.00000
|
|
94 16F-2 0.00000 -0.14909 0.11591 0.00000 0.00000
|
|
95 16F+3 0.36615 0.00000 0.00000 0.05601 -0.46756
|
|
96 16F-3 0.13979 0.00000 0.00000 0.20154 0.11567
|
|
97 3 H 1S 0.16779 0.00000 0.00000 -0.00684 -0.02965
|
|
98 2S -1.53559 0.00000 0.00000 -0.28417 0.22814
|
|
99 3S 0.21515 0.00000 0.00000 0.60848 -1.08013
|
|
100 4S 0.00453 0.00000 0.00000 0.23348 -0.02656
|
|
101 5PX -0.03309 0.00000 0.00000 -0.03068 -0.09785
|
|
102 5PY 0.03095 0.00000 0.00000 0.19059 0.07101
|
|
103 5PZ 0.00000 0.02043 -0.03370 0.00000 0.00000
|
|
104 6PX 0.57412 0.00000 0.00000 -0.00322 0.13850
|
|
105 6PY -0.18768 0.00000 0.00000 -0.35883 -0.30050
|
|
106 6PZ 0.00000 -0.07744 0.02922 0.00000 0.00000
|
|
107 7PX -0.03868 0.00000 0.00000 -0.40412 0.39633
|
|
108 7PY 0.23362 0.00000 0.00000 0.11776 -0.16778
|
|
109 7PZ 0.00000 0.03051 0.00703 0.00000 0.00000
|
|
110 8D 0 0.70791 0.00000 0.00000 -0.08368 -0.28776
|
|
111 8D+1 0.00000 -0.00015 0.08708 0.00000 0.00000
|
|
112 8D-1 0.00000 -0.25600 0.24335 0.00000 0.00000
|
|
113 8D+2 0.41633 0.00000 0.00000 -0.17681 -0.19306
|
|
114 8D-2 -0.22001 0.00000 0.00000 0.03033 0.18608
|
|
115 9D 0 -0.45889 0.00000 0.00000 -0.05817 0.28653
|
|
116 9D+1 0.00000 0.00091 -0.06344 0.00000 0.00000
|
|
117 9D-1 0.00000 0.28266 -0.17946 0.00000 0.00000
|
|
118 9D+2 -0.41265 0.00000 0.00000 0.08320 0.15988
|
|
119 9D-2 0.09390 0.00000 0.00000 0.09027 -0.03935
|
|
120 4 H 1S 0.18959 0.00000 0.00000 0.08424 0.37696
|
|
121 2S 2.31641 0.00000 0.00000 -1.15574 10.89537
|
|
122 3S 5.68687 0.00000 0.00000 -1.51133 11.37791
|
|
123 4S 0.19047 0.00000 0.00000 0.00717 0.40111
|
|
124 5PX -0.13635 0.00000 0.00000 -0.23313 -0.12869
|
|
125 5PY 0.05100 0.00000 0.00000 0.26177 -0.07402
|
|
126 5PZ 0.00000 -0.19114 -0.01870 0.00000 0.00000
|
|
127 6PX 1.43563 0.00000 0.00000 0.93235 4.69149
|
|
128 6PY -0.34588 0.00000 0.00000 0.57576 -0.61422
|
|
129 6PZ 0.00000 0.31443 -0.59522 0.00000 0.00000
|
|
130 7PX 1.43961 0.00000 0.00000 -0.03841 3.13725
|
|
131 7PY -0.09053 0.00000 0.00000 0.36279 -0.16745
|
|
132 7PZ 0.00000 0.18624 -0.21484 0.00000 0.00000
|
|
133 8D 0 -0.45210 0.00000 0.00000 -0.10145 -0.54098
|
|
134 8D+1 0.00000 -0.32015 0.32320 0.00000 0.00000
|
|
135 8D-1 0.00000 -0.42269 0.29140 0.00000 0.00000
|
|
136 8D+2 -0.05588 0.00000 0.00000 0.06848 0.24348
|
|
137 8D-2 -0.01180 0.00000 0.00000 0.05656 -0.19397
|
|
138 9D 0 0.05628 0.00000 0.00000 -0.20104 -0.02187
|
|
139 9D+1 0.00000 0.22855 -0.48974 0.00000 0.00000
|
|
140 9D-1 0.00000 0.25975 0.05679 0.00000 0.00000
|
|
141 9D+2 0.20707 0.00000 0.00000 0.63609 0.64639
|
|
142 9D-2 -0.09682 0.00000 0.00000 0.18027 0.10590
|
|
143 5 H 1S -0.05801 0.09884 0.28510 0.03149 -0.15059
|
|
144 2S -1.59426 3.98423 8.10222 -3.45509 -5.04318
|
|
145 3S -3.64476 4.68390 9.00022 -3.63807 -5.02692
|
|
146 4S -0.10064 0.16948 0.31337 -0.20852 -0.19987
|
|
147 5PX 0.06259 -0.06167 0.16082 0.04944 0.03249
|
|
148 5PY 0.08988 -0.00530 -0.02638 0.23554 -0.03888
|
|
149 5PZ -0.02617 0.09284 0.09581 0.14857 -0.13452
|
|
150 6PX 0.50590 -0.33570 -1.82604 -0.00689 1.55310
|
|
151 6PY 0.22426 -0.39260 -0.86418 0.79557 0.44447
|
|
152 6PZ 0.21948 -1.82980 -3.42553 0.20018 1.95442
|
|
153 7PX 0.68369 -0.13874 -1.37562 0.38530 0.83368
|
|
154 7PY 0.25163 -0.11609 -0.14118 0.56043 0.14344
|
|
155 7PZ 0.65067 -1.28981 -2.28169 0.37772 1.15384
|
|
156 8D 0 -0.04749 -0.24219 0.16804 -0.01490 -0.21441
|
|
157 8D+1 -0.10920 0.37580 0.40019 0.17425 -0.16769
|
|
158 8D-1 0.04070 0.29463 0.11265 -0.13249 -0.03758
|
|
159 8D+2 0.20761 0.17176 -0.31445 -0.16135 0.20308
|
|
160 8D-2 -0.06340 -0.31429 0.10200 -0.17064 -0.06858
|
|
161 9D 0 0.21107 0.52574 0.46395 0.25051 -0.04906
|
|
162 9D+1 -0.07116 -0.08624 0.24736 0.21848 -0.33484
|
|
163 9D-1 0.08377 -0.07702 0.15129 -0.10985 -0.01300
|
|
164 9D+2 -0.02318 -0.05901 0.38454 0.23436 -0.46397
|
|
165 9D-2 -0.11560 0.12868 -0.04664 0.02839 -0.09964
|
|
166 6 H 1S -0.05801 -0.09884 -0.28510 0.03149 -0.15059
|
|
167 2S -1.59426 -3.98423 -8.10222 -3.45509 -5.04318
|
|
168 3S -3.64476 -4.68390 -9.00022 -3.63807 -5.02692
|
|
169 4S -0.10064 -0.16948 -0.31337 -0.20852 -0.19987
|
|
170 5PX 0.06259 0.06167 -0.16082 0.04944 0.03249
|
|
171 5PY 0.08988 0.00530 0.02638 0.23554 -0.03888
|
|
172 5PZ 0.02617 0.09284 0.09581 -0.14857 0.13452
|
|
173 6PX 0.50590 0.33570 1.82604 -0.00689 1.55310
|
|
174 6PY 0.22426 0.39260 0.86418 0.79557 0.44447
|
|
175 6PZ -0.21948 -1.82980 -3.42553 -0.20018 -1.95442
|
|
176 7PX 0.68369 0.13874 1.37562 0.38530 0.83368
|
|
177 7PY 0.25163 0.11609 0.14118 0.56043 0.14344
|
|
178 7PZ -0.65067 -1.28981 -2.28169 -0.37772 -1.15384
|
|
179 8D 0 -0.04749 0.24219 -0.16804 -0.01490 -0.21441
|
|
180 8D+1 0.10920 0.37580 0.40019 -0.17425 0.16769
|
|
181 8D-1 -0.04070 0.29463 0.11265 0.13249 0.03758
|
|
182 8D+2 0.20761 -0.17176 0.31445 -0.16135 0.20308
|
|
183 8D-2 -0.06340 0.31429 -0.10200 -0.17064 -0.06858
|
|
184 9D 0 0.21107 -0.52574 -0.46395 0.25051 -0.04906
|
|
185 9D+1 0.07116 -0.08624 0.24736 -0.21848 0.33484
|
|
186 9D-1 -0.08377 -0.07702 0.15129 0.10985 0.01300
|
|
187 9D+2 -0.02318 0.05901 -0.38454 0.23436 -0.46397
|
|
188 9D-2 -0.11560 -0.12868 0.04664 0.02839 -0.09964
|
|
156 157 158 159 160
|
|
V V V V V
|
|
Eigenvalues -- 4.15418 4.18770 4.23525 4.35661 4.43780
|
|
1 1 C 1S 0.02940 0.00000 0.02721 0.00000 0.00477
|
|
2 2S -0.59194 0.00000 -0.30181 0.00000 -0.76003
|
|
3 3S -0.72594 0.00000 -0.35443 0.00000 -1.16137
|
|
4 4S 14.66138 0.00000 6.60073 0.00000 15.57173
|
|
5 5S 0.58937 0.00000 0.72720 0.00000 3.60457
|
|
6 6PX 0.14605 0.00000 -0.13492 0.00000 0.00844
|
|
7 6PY -0.50972 0.00000 -0.15069 0.00000 0.86002
|
|
8 6PZ 0.00000 -0.21369 0.00000 -0.10045 0.00000
|
|
9 7PX -1.13924 0.00000 1.49386 0.00000 -0.11773
|
|
10 7PY 1.67332 0.00000 0.71190 0.00000 -2.87987
|
|
11 7PZ 0.00000 2.17257 0.00000 0.81345 0.00000
|
|
12 8PX -0.60835 0.00000 0.06365 0.00000 0.74674
|
|
13 8PY 0.01730 0.00000 -1.22951 0.00000 -9.07005
|
|
14 8PZ 0.00000 0.12215 0.00000 0.66635 0.00000
|
|
15 9PX -0.16855 0.00000 0.09898 0.00000 -0.01013
|
|
16 9PY 0.15423 0.00000 -0.13269 0.00000 -0.96399
|
|
17 9PZ 0.00000 0.08458 0.00000 0.07049 0.00000
|
|
18 10D 0 0.00704 0.00000 0.31927 0.00000 0.05848
|
|
19 10D+1 0.00000 0.30418 0.00000 0.05575 0.00000
|
|
20 10D-1 0.00000 -0.47197 0.00000 -0.13074 0.00000
|
|
21 10D+2 0.19259 0.00000 0.18372 0.00000 0.03651
|
|
22 10D-2 0.10342 0.00000 -0.50753 0.00000 -0.09828
|
|
23 11D 0 0.06464 0.00000 0.03477 0.00000 -1.85194
|
|
24 11D+1 0.00000 0.18577 0.00000 0.22442 0.00000
|
|
25 11D-1 0.00000 2.20111 0.00000 0.67029 0.00000
|
|
26 11D+2 0.64121 0.00000 -0.86282 0.00000 -3.26162
|
|
27 11D-2 -0.47531 0.00000 1.99307 0.00000 0.41407
|
|
28 12D 0 -0.44981 0.00000 0.37541 0.00000 -0.52501
|
|
29 12D+1 0.00000 0.38685 0.00000 0.18536 0.00000
|
|
30 12D-1 0.00000 -0.28860 0.00000 -0.16030 0.00000
|
|
31 12D+2 0.12368 0.00000 -0.44624 0.00000 -1.77428
|
|
32 12D-2 0.37703 0.00000 -0.62326 0.00000 -0.36675
|
|
33 13F 0 0.00000 0.04685 0.00000 -0.05179 0.00000
|
|
34 13F+1 -0.29847 0.00000 -0.10495 0.00000 -0.21529
|
|
35 13F-1 -0.49956 0.00000 -0.18226 0.00000 0.29909
|
|
36 13F+2 0.00000 0.00946 0.00000 -0.01314 0.00000
|
|
37 13F-2 0.00000 0.02956 0.00000 -0.00229 0.00000
|
|
38 13F+3 0.12012 0.00000 0.04968 0.00000 -0.00977
|
|
39 13F-3 -0.41191 0.00000 -0.08361 0.00000 0.52059
|
|
40 14F 0 0.00000 0.46890 0.00000 0.07907 0.00000
|
|
41 14F+1 0.74841 0.00000 0.39232 0.00000 0.20099
|
|
42 14F-1 0.95534 0.00000 0.78281 0.00000 0.53301
|
|
43 14F+2 0.00000 0.62219 0.00000 0.09428 0.00000
|
|
44 14F-2 0.00000 0.21581 0.00000 0.35813 0.00000
|
|
45 14F+3 -0.46397 0.00000 0.62715 0.00000 0.03055
|
|
46 14F-3 0.77762 0.00000 0.24178 0.00000 0.50705
|
|
47 2 S 1S -0.00345 0.00000 -0.00326 0.00000 0.03096
|
|
48 2S -0.17612 0.00000 0.01519 0.00000 0.61319
|
|
49 3S -0.35402 0.00000 -0.06443 0.00000 1.70631
|
|
50 4S 0.13766 0.00000 -0.08248 0.00000 0.41770
|
|
51 5S -3.03619 0.00000 -1.12418 0.00000 -12.87002
|
|
52 6S -1.06449 0.00000 -0.38833 0.00000 -5.24423
|
|
53 7PX -0.08192 0.00000 0.12761 0.00000 0.09702
|
|
54 7PY -0.03849 0.00000 -0.02934 0.00000 -0.41844
|
|
55 7PZ 0.00000 0.10647 0.00000 0.03229 0.00000
|
|
56 8PX -0.86333 0.00000 1.33915 0.00000 0.89719
|
|
57 8PY -0.32443 0.00000 -0.89127 0.00000 -4.79673
|
|
58 8PZ 0.00000 0.82820 0.00000 0.51090 0.00000
|
|
59 9PX 0.25705 0.00000 -0.46075 0.00000 -0.29876
|
|
60 9PY -0.01604 0.00000 0.05850 0.00000 1.61664
|
|
61 9PZ 0.00000 -0.38915 0.00000 -0.19264 0.00000
|
|
62 10PX -0.16803 0.00000 0.98930 0.00000 1.47701
|
|
63 10PY -2.50226 0.00000 -1.23100 0.00000 -11.33640
|
|
64 10PZ 0.00000 0.64329 0.00000 -0.67839 0.00000
|
|
65 11PX -0.06134 0.00000 0.07496 0.00000 0.20259
|
|
66 11PY -0.19738 0.00000 -0.13852 0.00000 -1.00157
|
|
67 11PZ 0.00000 -0.01529 0.00000 -0.08415 0.00000
|
|
68 12D 0 0.28048 0.00000 0.03644 0.00000 1.65202
|
|
69 12D+1 0.00000 -0.00194 0.00000 0.36742 0.00000
|
|
70 12D-1 0.00000 1.16944 0.00000 0.15294 0.00000
|
|
71 12D+2 -0.39077 0.00000 0.45942 0.00000 3.65076
|
|
72 12D-2 -0.23933 0.00000 1.03380 0.00000 0.46866
|
|
73 13D 0 -0.06637 0.00000 0.00798 0.00000 0.03577
|
|
74 13D+1 0.00000 -0.03064 0.00000 0.17704 0.00000
|
|
75 13D-1 0.00000 -0.12189 0.00000 -0.03611 0.00000
|
|
76 13D+2 -0.03842 0.00000 0.08204 0.00000 -0.04764
|
|
77 13D-2 0.10032 0.00000 -0.18186 0.00000 0.01187
|
|
78 14D 0 0.35784 0.00000 0.03310 0.00000 0.97704
|
|
79 14D+1 0.00000 0.06005 0.00000 -0.43284 0.00000
|
|
80 14D-1 0.00000 0.19836 0.00000 0.00564 0.00000
|
|
81 14D+2 0.37455 0.00000 0.51669 0.00000 2.39360
|
|
82 14D-2 -0.35192 0.00000 0.23697 0.00000 -0.56862
|
|
83 15F 0 0.00000 -0.12373 0.00000 -0.43011 0.00000
|
|
84 15F+1 0.01405 0.00000 -0.14248 0.00000 -0.01576
|
|
85 15F-1 -0.24881 0.00000 0.04413 0.00000 0.46555
|
|
86 15F+2 0.00000 -0.29722 0.00000 0.46933 0.00000
|
|
87 15F-2 0.00000 0.10379 0.00000 -0.10189 0.00000
|
|
88 15F+3 0.06550 0.00000 -0.30241 0.00000 0.09100
|
|
89 15F-3 -0.02070 0.00000 -0.24537 0.00000 0.90148
|
|
90 16F 0 0.00000 -0.32624 0.00000 0.07184 0.00000
|
|
91 16F+1 0.01768 0.00000 -0.16058 0.00000 -0.14284
|
|
92 16F-1 0.19528 0.00000 -0.04637 0.00000 0.45539
|
|
93 16F+2 0.00000 -0.33959 0.00000 -0.18647 0.00000
|
|
94 16F-2 0.00000 -0.01752 0.00000 0.12884 0.00000
|
|
95 16F+3 -0.11246 0.00000 -0.26200 0.00000 0.03869
|
|
96 16F-3 -0.28602 0.00000 0.21173 0.00000 0.64274
|
|
97 3 H 1S -0.07727 0.00000 0.16432 0.00000 -0.11447
|
|
98 2S 0.96377 0.00000 -0.88717 0.00000 -0.46079
|
|
99 3S 0.14096 0.00000 -1.22477 0.00000 -4.21671
|
|
100 4S 0.13785 0.00000 -0.12321 0.00000 -0.44974
|
|
101 5PX 0.09443 0.00000 0.03058 0.00000 -0.19850
|
|
102 5PY -0.21331 0.00000 0.05397 0.00000 0.11330
|
|
103 5PZ 0.00000 -0.00196 0.00000 -0.01080 0.00000
|
|
104 6PX -0.50588 0.00000 0.42421 0.00000 0.63619
|
|
105 6PY 0.44785 0.00000 -0.30449 0.00000 -0.55504
|
|
106 6PZ 0.00000 0.03801 0.00000 -0.41178 0.00000
|
|
107 7PX 0.08067 0.00000 0.29592 0.00000 1.49773
|
|
108 7PY 0.47501 0.00000 -0.17773 0.00000 0.11958
|
|
109 7PZ 0.00000 -0.12587 0.00000 0.73384 0.00000
|
|
110 8D 0 0.05874 0.00000 0.27324 0.00000 -0.32439
|
|
111 8D+1 0.00000 -0.18746 0.00000 1.24332 0.00000
|
|
112 8D-1 0.00000 -0.23876 0.00000 -0.20429 0.00000
|
|
113 8D+2 0.08967 0.00000 0.09577 0.00000 0.08363
|
|
114 8D-2 0.33450 0.00000 -0.31152 0.00000 0.43515
|
|
115 9D 0 -0.00615 0.00000 -0.05732 0.00000 0.31016
|
|
116 9D+1 0.00000 0.03573 0.00000 -0.40289 0.00000
|
|
117 9D-1 0.00000 0.06571 0.00000 0.04362 0.00000
|
|
118 9D+2 0.10626 0.00000 -0.16082 0.00000 -0.16999
|
|
119 9D-2 -0.28437 0.00000 0.14156 0.00000 0.12037
|
|
120 4 H 1S 0.48102 0.00000 0.43451 0.00000 0.22351
|
|
121 2S -4.62544 0.00000 0.71027 0.00000 -0.35741
|
|
122 3S -2.82407 0.00000 0.08071 0.00000 1.91255
|
|
123 4S -0.20819 0.00000 0.11430 0.00000 0.05970
|
|
124 5PX -0.12939 0.00000 0.01964 0.00000 -0.12870
|
|
125 5PY -0.02739 0.00000 0.20079 0.00000 0.13164
|
|
126 5PZ 0.00000 -0.06739 0.00000 -0.02045 0.00000
|
|
127 6PX -0.97914 0.00000 0.54808 0.00000 0.19214
|
|
128 6PY 0.21937 0.00000 -0.18135 0.00000 -0.48734
|
|
129 6PZ 0.00000 -0.32036 0.00000 -0.00613 0.00000
|
|
130 7PX -0.73608 0.00000 -0.15774 0.00000 0.26415
|
|
131 7PY 0.18610 0.00000 -0.44421 0.00000 -0.69501
|
|
132 7PZ 0.00000 0.09003 0.00000 -0.01044 0.00000
|
|
133 8D 0 -0.21232 0.00000 0.34519 0.00000 0.19841
|
|
134 8D+1 0.00000 0.00261 0.00000 -0.02970 0.00000
|
|
135 8D-1 0.00000 -0.43310 0.00000 -0.01062 0.00000
|
|
136 8D+2 0.21966 0.00000 0.37907 0.00000 0.08608
|
|
137 8D-2 0.02708 0.00000 -0.36698 0.00000 -0.14274
|
|
138 9D 0 -0.03113 0.00000 -0.21018 0.00000 -0.17356
|
|
139 9D+1 0.00000 -0.17847 0.00000 -0.01833 0.00000
|
|
140 9D-1 0.00000 0.32507 0.00000 0.11925 0.00000
|
|
141 9D+2 -0.20534 0.00000 -0.03446 0.00000 -0.11523
|
|
142 9D-2 -0.11979 0.00000 0.09273 0.00000 -0.28883
|
|
143 5 H 1S 0.53116 -0.21441 0.06573 -0.04230 0.25283
|
|
144 2S -3.12818 -1.89466 -2.15018 -0.96656 -0.96483
|
|
145 3S -0.97732 -0.89913 -0.94967 -0.64273 1.39442
|
|
146 4S 0.03155 -0.09404 -0.05262 -0.05668 0.19458
|
|
147 5PX 0.12369 0.04059 -0.01200 -0.00803 0.08386
|
|
148 5PY 0.04682 -0.22437 -0.16963 -0.00915 0.08338
|
|
149 5PZ 0.15753 -0.00221 0.08547 -0.00363 0.11497
|
|
150 6PX 0.08070 0.58180 0.16496 0.16272 -0.10796
|
|
151 6PY -0.03596 0.39181 0.04009 -0.00983 -0.66363
|
|
152 6PZ -0.00161 0.74064 0.55221 0.36594 -0.10655
|
|
153 7PX 0.03631 0.02171 0.26035 -0.03377 0.00829
|
|
154 7PY -0.26269 0.40555 0.29552 0.14755 -0.59997
|
|
155 7PZ 0.49973 0.18235 0.04187 0.15942 -0.40170
|
|
156 8D 0 0.23748 -0.10304 -0.02560 -0.03187 -0.00731
|
|
157 8D+1 0.16612 0.17023 0.16704 0.01521 -0.11589
|
|
158 8D-1 0.10547 -0.35381 0.14318 -0.05409 0.25024
|
|
159 8D+2 0.13255 -0.48506 -0.06094 -0.05469 0.09765
|
|
160 8D-2 0.22550 -0.02085 -0.37074 0.00296 -0.03321
|
|
161 9D 0 0.00692 -0.00037 -0.11569 -0.05553 -0.09568
|
|
162 9D+1 0.11255 -0.25532 -0.03432 -0.04513 0.08531
|
|
163 9D-1 0.06992 0.11337 -0.08173 0.05800 0.32143
|
|
164 9D+2 -0.19096 0.10718 -0.03076 0.00565 -0.23436
|
|
165 9D-2 -0.04993 -0.09332 0.41233 -0.03579 0.26101
|
|
166 6 H 1S 0.53116 0.21441 0.06573 0.04230 0.25283
|
|
167 2S -3.12818 1.89466 -2.15018 0.96656 -0.96483
|
|
168 3S -0.97732 0.89913 -0.94967 0.64273 1.39442
|
|
169 4S 0.03155 0.09404 -0.05262 0.05668 0.19458
|
|
170 5PX 0.12369 -0.04059 -0.01200 0.00803 0.08386
|
|
171 5PY 0.04682 0.22437 -0.16963 0.00915 0.08338
|
|
172 5PZ -0.15753 -0.00221 -0.08547 -0.00363 -0.11497
|
|
173 6PX 0.08070 -0.58180 0.16496 -0.16272 -0.10796
|
|
174 6PY -0.03596 -0.39181 0.04009 0.00983 -0.66363
|
|
175 6PZ 0.00161 0.74064 -0.55221 0.36594 0.10655
|
|
176 7PX 0.03631 -0.02171 0.26035 0.03377 0.00829
|
|
177 7PY -0.26269 -0.40555 0.29552 -0.14755 -0.59997
|
|
178 7PZ -0.49973 0.18235 -0.04187 0.15942 0.40170
|
|
179 8D 0 0.23748 0.10304 -0.02560 0.03187 -0.00731
|
|
180 8D+1 -0.16612 0.17023 -0.16704 0.01521 0.11589
|
|
181 8D-1 -0.10547 -0.35381 -0.14318 -0.05409 -0.25024
|
|
182 8D+2 0.13255 0.48506 -0.06094 0.05469 0.09765
|
|
183 8D-2 0.22550 0.02085 -0.37074 -0.00296 -0.03321
|
|
184 9D 0 0.00692 0.00037 -0.11569 0.05553 -0.09568
|
|
185 9D+1 -0.11255 -0.25532 0.03432 -0.04513 -0.08531
|
|
186 9D-1 -0.06992 0.11337 0.08173 0.05800 -0.32143
|
|
187 9D+2 -0.19096 -0.10718 -0.03076 -0.00565 -0.23436
|
|
188 9D-2 -0.04993 0.09332 0.41233 0.03579 0.26101
|
|
161 162 163 164 165
|
|
V V V V V
|
|
Eigenvalues -- 4.45736 4.47109 4.49828 4.53215 4.53760
|
|
1 1 C 1S 0.00000 -0.00152 0.00000 0.06300 -0.01055
|
|
2 2S 0.00000 -0.06777 0.00000 -0.55633 -0.19908
|
|
3 3S 0.00000 -0.13100 0.00000 -0.71637 -0.42950
|
|
4 4S 0.00000 2.33503 0.00000 8.67267 10.89665
|
|
5 5S 0.00000 0.67058 0.00000 2.18742 1.34919
|
|
6 6PX 0.00000 -0.01259 0.00000 -0.05851 -0.04416
|
|
7 6PY 0.00000 0.15840 0.00000 0.16059 -0.05415
|
|
8 6PZ 0.02289 0.00000 0.00472 0.00000 0.00000
|
|
9 7PX 0.00000 2.58263 0.00000 0.19145 -0.09731
|
|
10 7PY 0.00000 -0.33959 0.00000 -0.39315 0.63481
|
|
11 7PZ -2.31244 0.00000 -0.28635 0.00000 0.00000
|
|
12 8PX 0.00000 1.14364 0.00000 0.48033 0.06274
|
|
13 8PY 0.00000 -0.99170 0.00000 -1.44374 -2.75918
|
|
14 8PZ -0.33367 0.00000 -1.34963 0.00000 0.00000
|
|
15 9PX 0.00000 -0.08135 0.00000 -0.02366 0.06764
|
|
16 9PY 0.00000 -0.17948 0.00000 -0.32556 -0.41136
|
|
17 9PZ 0.12059 0.00000 -0.15276 0.00000 0.00000
|
|
18 10D 0 0.00000 -0.05182 0.00000 0.16076 -0.17920
|
|
19 10D+1 0.13481 0.00000 0.05988 0.00000 0.00000
|
|
20 10D-1 -0.13511 0.00000 -0.06730 0.00000 0.00000
|
|
21 10D+2 0.00000 0.03203 0.00000 0.44179 -0.24826
|
|
22 10D-2 0.00000 -0.00729 0.00000 0.21379 0.06020
|
|
23 11D 0 0.00000 0.80187 0.00000 -0.89182 0.42678
|
|
24 11D+1 -1.15306 0.00000 -0.42691 0.00000 0.00000
|
|
25 11D-1 -0.71196 0.00000 -0.19979 0.00000 0.00000
|
|
26 11D+2 0.00000 -1.23418 0.00000 -2.08340 1.01533
|
|
27 11D-2 0.00000 1.17586 0.00000 -0.80881 -0.40732
|
|
28 12D 0 0.00000 0.13936 0.00000 -0.23494 0.16082
|
|
29 12D+1 0.11011 0.00000 -0.31993 0.00000 0.00000
|
|
30 12D-1 -1.80137 0.00000 -0.01239 0.00000 0.00000
|
|
31 12D+2 0.00000 -0.60123 0.00000 -1.44899 0.22364
|
|
32 12D-2 0.00000 1.94488 0.00000 -0.54093 -0.12812
|
|
33 13F 0 -0.22961 0.00000 -0.07094 0.00000 0.00000
|
|
34 13F+1 0.00000 0.06661 0.00000 -0.49103 0.25433
|
|
35 13F-1 0.00000 0.54985 0.00000 0.20731 -0.08487
|
|
36 13F+2 -0.25539 0.00000 0.01289 0.00000 0.00000
|
|
37 13F-2 -0.67488 0.00000 -0.11634 0.00000 0.00000
|
|
38 13F+3 0.00000 0.44632 0.00000 0.23235 0.01442
|
|
39 13F-3 0.00000 -0.21082 0.00000 0.19932 -0.18169
|
|
40 14F 0 -0.12896 0.00000 0.03323 0.00000 0.00000
|
|
41 14F+1 0.00000 0.11581 0.00000 0.09196 0.86409
|
|
42 14F-1 0.00000 -0.01230 0.00000 0.39882 0.35457
|
|
43 14F+2 -0.19701 0.00000 0.19997 0.00000 0.00000
|
|
44 14F-2 0.19728 0.00000 -0.18844 0.00000 0.00000
|
|
45 14F+3 0.00000 0.40935 0.00000 -0.39188 -0.53897
|
|
46 14F-3 0.00000 0.17127 0.00000 0.47232 0.12209
|
|
47 2 S 1S 0.00000 0.00432 0.00000 0.00543 0.00584
|
|
48 2S 0.00000 0.08944 0.00000 0.27531 -0.08336
|
|
49 3S 0.00000 0.23942 0.00000 0.55842 0.02864
|
|
50 4S 0.00000 0.06980 0.00000 0.06447 0.25590
|
|
51 5S 0.00000 -3.10671 0.00000 -6.49373 -3.58847
|
|
52 6S 0.00000 -1.27423 0.00000 -2.92459 -1.34652
|
|
53 7PX 0.00000 0.04656 0.00000 -0.01382 -0.07212
|
|
54 7PY 0.00000 -0.05713 0.00000 -0.11843 -0.08370
|
|
55 7PZ -0.01536 0.00000 -0.05856 0.00000 0.00000
|
|
56 8PX 0.00000 0.39504 0.00000 -0.24618 -0.72198
|
|
57 8PY 0.00000 -0.78529 0.00000 -1.98827 -0.56749
|
|
58 8PZ -0.09942 0.00000 -0.66407 0.00000 0.00000
|
|
59 9PX 0.00000 -0.21732 0.00000 0.08812 0.23604
|
|
60 9PY 0.00000 0.22349 0.00000 0.47827 0.32830
|
|
61 9PZ 0.06753 0.00000 0.20256 0.00000 0.00000
|
|
62 10PX 0.00000 1.03858 0.00000 -1.35712 -0.48392
|
|
63 10PY 0.00000 -1.38934 0.00000 -3.09137 -1.77066
|
|
64 10PZ -1.34372 0.00000 -0.98315 0.00000 0.00000
|
|
65 11PX 0.00000 0.08909 0.00000 -0.01762 0.07723
|
|
66 11PY 0.00000 -0.18946 0.00000 -0.45092 -0.17884
|
|
67 11PZ -0.10225 0.00000 0.01622 0.00000 0.00000
|
|
68 12D 0 0.00000 0.35780 0.00000 0.75050 0.27969
|
|
69 12D+1 0.06876 0.00000 -1.08778 0.00000 0.00000
|
|
70 12D-1 -0.45837 0.00000 0.26352 0.00000 0.00000
|
|
71 12D+2 0.00000 0.40448 0.00000 1.13075 -0.06285
|
|
72 12D-2 0.00000 0.88253 0.00000 -0.32082 -0.40554
|
|
73 13D 0 0.00000 -0.02168 0.00000 0.05825 -0.05426
|
|
74 13D+1 0.01644 0.00000 0.12768 0.00000 0.00000
|
|
75 13D-1 0.05258 0.00000 -0.04207 0.00000 0.00000
|
|
76 13D+2 0.00000 0.07952 0.00000 0.01734 -0.08400
|
|
77 13D-2 0.00000 -0.07857 0.00000 -0.03251 0.00238
|
|
78 14D 0 0.00000 0.15477 0.00000 0.50499 0.15829
|
|
79 14D+1 0.06904 0.00000 -0.51818 0.00000 0.00000
|
|
80 14D-1 -0.56467 0.00000 0.03522 0.00000 0.00000
|
|
81 14D+2 0.00000 0.14717 0.00000 0.52389 0.49458
|
|
82 14D-2 0.00000 0.54470 0.00000 -0.06446 -0.06980
|
|
83 15F 0 0.08662 0.00000 -0.05191 0.00000 0.00000
|
|
84 15F+1 0.00000 -0.13356 0.00000 0.05841 0.02385
|
|
85 15F-1 0.00000 0.12805 0.00000 0.23085 0.08836
|
|
86 15F+2 0.09371 0.00000 0.06471 0.00000 0.00000
|
|
87 15F-2 -0.11033 0.00000 -0.01228 0.00000 0.00000
|
|
88 15F+3 0.00000 -0.18262 0.00000 -0.05808 -0.08386
|
|
89 15F-3 0.00000 0.18362 0.00000 -0.11586 -0.34082
|
|
90 16F 0 0.05887 0.00000 0.43820 0.00000 0.00000
|
|
91 16F+1 0.00000 0.02202 0.00000 0.11177 0.02553
|
|
92 16F-1 0.00000 0.01505 0.00000 0.12409 -0.03935
|
|
93 16F+2 0.20598 0.00000 -0.59574 0.00000 0.00000
|
|
94 16F-2 0.07302 0.00000 0.06494 0.00000 0.00000
|
|
95 16F+3 0.00000 -0.28504 0.00000 0.36680 0.27220
|
|
96 16F-3 0.00000 0.09328 0.00000 0.49042 -0.01583
|
|
97 3 H 1S 0.00000 0.01694 0.00000 -0.16163 -0.11945
|
|
98 2S 0.00000 0.05052 0.00000 0.62213 0.68792
|
|
99 3S 0.00000 1.26007 0.00000 0.46180 -0.09565
|
|
100 4S 0.00000 0.00009 0.00000 -0.12069 -0.14864
|
|
101 5PX 0.00000 0.17976 0.00000 -0.02439 0.13946
|
|
102 5PY 0.00000 -0.17672 0.00000 0.56063 0.40234
|
|
103 5PZ 0.14984 0.00000 -1.45784 0.00000 0.00000
|
|
104 6PX 0.00000 -0.22541 0.00000 -0.07906 -0.42264
|
|
105 6PY 0.00000 0.00425 0.00000 -0.42554 -0.04092
|
|
106 6PZ -0.20514 0.00000 2.13908 0.00000 0.00000
|
|
107 7PX 0.00000 -0.25216 0.00000 0.06899 -0.16504
|
|
108 7PY 0.00000 0.36428 0.00000 -0.60784 -0.46662
|
|
109 7PZ -0.12894 0.00000 0.80115 0.00000 0.00000
|
|
110 8D 0 0.00000 0.11562 0.00000 -0.20132 -0.06886
|
|
111 8D+1 0.04525 0.00000 -0.04218 0.00000 0.00000
|
|
112 8D-1 0.20242 0.00000 0.01477 0.00000 0.00000
|
|
113 8D+2 0.00000 0.11838 0.00000 -0.17459 -0.25387
|
|
114 8D-2 0.00000 0.16132 0.00000 -0.59448 -0.59296
|
|
115 9D 0 0.00000 -0.13489 0.00000 0.14177 0.03716
|
|
116 9D+1 0.05492 0.00000 -0.85174 0.00000 0.00000
|
|
117 9D-1 -0.17973 0.00000 0.11995 0.00000 0.00000
|
|
118 9D+2 0.00000 -0.09915 0.00000 0.05468 0.34694
|
|
119 9D-2 0.00000 -0.04384 0.00000 0.57740 0.32491
|
|
120 4 H 1S 0.00000 0.27650 0.00000 0.21668 0.02948
|
|
121 2S 0.00000 2.82901 0.00000 -0.37218 -2.91820
|
|
122 3S 0.00000 4.56485 0.00000 0.40223 -1.52426
|
|
123 4S 0.00000 0.07817 0.00000 -0.06679 0.06489
|
|
124 5PX 0.00000 -0.12530 0.00000 0.06357 -0.23452
|
|
125 5PY 0.00000 0.20154 0.00000 0.09954 -0.31085
|
|
126 5PZ -0.07978 0.00000 0.06357 0.00000 0.00000
|
|
127 6PX 0.00000 1.70744 0.00000 0.00223 -0.26285
|
|
128 6PY 0.00000 -0.79755 0.00000 -0.85225 0.88738
|
|
129 6PZ -0.05634 0.00000 -0.33204 0.00000 0.00000
|
|
130 7PX 0.00000 1.14814 0.00000 -0.28916 -0.14877
|
|
131 7PY 0.00000 0.18182 0.00000 -0.84450 0.54494
|
|
132 7PZ 0.08893 0.00000 -0.15819 0.00000 0.00000
|
|
133 8D 0 0.00000 0.20088 0.00000 -0.35055 0.38064
|
|
134 8D+1 -0.01883 0.00000 -0.11178 0.00000 0.00000
|
|
135 8D-1 -0.72590 0.00000 -0.01111 0.00000 0.00000
|
|
136 8D+2 0.00000 0.55496 0.00000 -0.06021 0.02959
|
|
137 8D-2 0.00000 -0.18873 0.00000 -0.03620 -0.23984
|
|
138 9D 0 0.00000 -0.31096 0.00000 0.08873 -0.17492
|
|
139 9D+1 -0.04183 0.00000 -0.10479 0.00000 0.00000
|
|
140 9D-1 0.50730 0.00000 -0.00950 0.00000 0.00000
|
|
141 9D+2 0.00000 0.00851 0.00000 -0.07469 0.19958
|
|
142 9D-2 0.00000 -0.32791 0.00000 -0.43694 0.15206
|
|
143 5 H 1S 0.20702 -0.11476 0.00345 0.26547 0.06737
|
|
144 2S 1.96241 -1.47457 0.72203 -0.76976 -2.55749
|
|
145 3S 2.68383 -2.24592 1.66550 -0.54892 -0.78379
|
|
146 4S 0.01999 -0.00959 0.09908 0.04638 0.02262
|
|
147 5PX 0.08380 0.04975 0.03941 -0.13547 0.08689
|
|
148 5PY 0.07719 -0.06260 -0.02691 0.20114 -0.13928
|
|
149 5PZ 0.09319 -0.09961 0.03707 -0.04957 0.20568
|
|
150 6PX -0.52934 0.36294 -0.17219 0.35945 0.06635
|
|
151 6PY -0.68093 0.33748 0.07292 -0.69483 0.69120
|
|
152 6PZ -1.17182 0.75018 -0.28974 0.08393 0.06621
|
|
153 7PX -0.39188 0.30030 -0.12916 0.63238 0.00090
|
|
154 7PY 0.22410 -0.10362 -0.20795 -0.59201 0.39895
|
|
155 7PZ -0.72454 0.52922 -0.25522 0.14728 -0.12688
|
|
156 8D 0 0.29571 -0.12954 0.05282 0.08367 0.01348
|
|
157 8D+1 0.07201 -0.09128 0.04386 0.27670 -0.25058
|
|
158 8D-1 -0.03452 -0.38030 -0.04400 -0.10023 0.09434
|
|
159 8D+2 0.24131 -0.28204 0.07391 -0.19454 0.30063
|
|
160 8D-2 0.43640 0.38223 0.02081 0.12954 0.32274
|
|
161 9D 0 0.05480 -0.04221 0.00553 -0.09842 0.14088
|
|
162 9D+1 0.13224 -0.08852 0.05871 -0.27759 0.17261
|
|
163 9D-1 0.39676 0.11254 -0.05883 0.37046 -0.05959
|
|
164 9D+2 -0.14813 0.14371 -0.05447 -0.08652 -0.01664
|
|
165 9D-2 -0.13468 -0.36543 -0.04032 0.03068 -0.13227
|
|
166 6 H 1S -0.20702 -0.11476 -0.00345 0.26547 0.06737
|
|
167 2S -1.96241 -1.47457 -0.72203 -0.76976 -2.55749
|
|
168 3S -2.68383 -2.24592 -1.66550 -0.54892 -0.78379
|
|
169 4S -0.01999 -0.00959 -0.09908 0.04638 0.02262
|
|
170 5PX -0.08380 0.04975 -0.03941 -0.13547 0.08689
|
|
171 5PY -0.07719 -0.06260 0.02691 0.20114 -0.13928
|
|
172 5PZ 0.09319 0.09961 0.03707 0.04957 -0.20568
|
|
173 6PX 0.52934 0.36294 0.17219 0.35945 0.06635
|
|
174 6PY 0.68093 0.33748 -0.07292 -0.69483 0.69120
|
|
175 6PZ -1.17182 -0.75018 -0.28974 -0.08393 -0.06621
|
|
176 7PX 0.39188 0.30030 0.12916 0.63238 0.00090
|
|
177 7PY -0.22410 -0.10362 0.20795 -0.59201 0.39895
|
|
178 7PZ -0.72454 -0.52922 -0.25522 -0.14728 0.12688
|
|
179 8D 0 -0.29571 -0.12954 -0.05282 0.08367 0.01348
|
|
180 8D+1 0.07201 0.09128 0.04386 -0.27670 0.25058
|
|
181 8D-1 -0.03452 0.38030 -0.04400 0.10023 -0.09434
|
|
182 8D+2 -0.24131 -0.28204 -0.07391 -0.19454 0.30063
|
|
183 8D-2 -0.43640 0.38223 -0.02081 0.12954 0.32274
|
|
184 9D 0 -0.05480 -0.04221 -0.00553 -0.09842 0.14088
|
|
185 9D+1 0.13224 0.08852 0.05871 0.27759 -0.17261
|
|
186 9D-1 0.39676 -0.11254 -0.05883 -0.37046 0.05959
|
|
187 9D+2 0.14813 0.14371 0.05447 -0.08652 -0.01664
|
|
188 9D-2 0.13468 -0.36543 0.04032 0.03068 -0.13227
|
|
166 167 168 169 170
|
|
V V V V V
|
|
Eigenvalues -- 4.65083 4.73769 4.75001 4.78915 4.88876
|
|
1 1 C 1S -0.01212 0.01287 0.00000 -0.00472 0.06812
|
|
2 2S -0.28904 -0.10426 0.00000 -0.08599 0.22906
|
|
3 3S -0.47248 -0.17304 0.00000 -0.17960 0.21257
|
|
4 4S 7.48520 1.60809 0.00000 3.61237 -1.39684
|
|
5 5S 0.57834 0.98374 0.00000 0.76691 0.43498
|
|
6 6PX -0.03249 0.08951 0.00000 -0.49839 -0.02940
|
|
7 6PY 0.18716 0.20308 0.00000 0.17611 0.08432
|
|
8 6PZ 0.00000 0.00000 -0.43404 0.00000 0.00000
|
|
9 7PX -0.22047 -0.76767 0.00000 3.25650 -0.07123
|
|
10 7PY -0.63169 -0.77922 0.00000 -0.50826 0.09897
|
|
11 7PZ 0.00000 0.00000 3.00244 0.00000 0.00000
|
|
12 8PX -0.95022 0.80089 0.00000 -0.21370 -0.82675
|
|
13 8PY -2.41590 0.86529 0.00000 -1.09123 3.92006
|
|
14 8PZ 0.00000 0.00000 -0.61481 0.00000 0.00000
|
|
15 9PX -0.06613 0.35765 0.00000 -0.75477 -0.12742
|
|
16 9PY -0.13071 -0.01587 0.00000 -0.16949 0.58335
|
|
17 9PZ 0.00000 0.00000 -0.74293 0.00000 0.00000
|
|
18 10D 0 0.09994 0.21832 0.00000 -0.31679 0.08219
|
|
19 10D+1 0.00000 0.00000 -0.46565 0.00000 0.00000
|
|
20 10D-1 0.00000 0.00000 0.30646 0.00000 0.00000
|
|
21 10D+2 -0.07801 -0.04187 0.00000 0.16621 0.09967
|
|
22 10D-2 -0.10213 -0.23059 0.00000 0.24436 0.03435
|
|
23 11D 0 -1.11989 -1.91616 0.00000 3.57803 -1.16750
|
|
24 11D+1 0.00000 0.00000 4.74623 0.00000 0.00000
|
|
25 11D-1 0.00000 0.00000 -0.35178 0.00000 0.00000
|
|
26 11D+2 0.98371 0.14516 0.00000 -2.60373 -1.60105
|
|
27 11D-2 -0.30059 0.93975 0.00000 -0.25968 -0.58457
|
|
28 12D 0 -1.12366 -0.65462 0.00000 1.48710 0.23893
|
|
29 12D+1 0.00000 0.00000 2.01075 0.00000 0.00000
|
|
30 12D-1 0.00000 0.00000 -1.44698 0.00000 0.00000
|
|
31 12D+2 -0.34590 0.31852 0.00000 -0.90212 0.70713
|
|
32 12D-2 0.86671 0.94678 0.00000 -1.11162 0.29803
|
|
33 13F 0 0.00000 0.00000 0.14946 0.00000 0.00000
|
|
34 13F+1 -0.25304 -0.13086 0.00000 -0.04388 0.06827
|
|
35 13F-1 0.13239 0.06106 0.00000 0.13787 -0.36415
|
|
36 13F+2 0.00000 0.00000 0.15870 0.00000 0.00000
|
|
37 13F-2 0.00000 0.00000 0.07756 0.00000 0.00000
|
|
38 13F+3 -0.07463 -0.23378 0.00000 0.06933 0.07103
|
|
39 13F-3 0.16987 0.04143 0.00000 0.08358 -0.51279
|
|
40 14F 0 0.00000 0.00000 0.44449 0.00000 0.00000
|
|
41 14F+1 1.03949 -0.05747 0.00000 0.25166 -1.10896
|
|
42 14F-1 -0.25460 -0.17598 0.00000 0.77667 0.27159
|
|
43 14F+2 0.00000 0.00000 0.39544 0.00000 0.00000
|
|
44 14F-2 0.00000 0.00000 0.95803 0.00000 0.00000
|
|
45 14F+3 -0.52975 -0.31915 0.00000 0.60959 0.06550
|
|
46 14F-3 0.30610 0.21983 0.00000 -0.32640 0.78312
|
|
47 2 S 1S 0.00887 -0.00632 0.00000 -0.00048 -0.00316
|
|
48 2S 0.05479 -0.30229 0.00000 -0.19662 -0.09232
|
|
49 3S 0.32503 -0.60085 0.00000 -0.30012 -0.22614
|
|
50 4S 0.21691 0.26029 0.00000 0.22525 -0.03537
|
|
51 5S -2.28597 -3.13839 0.00000 -2.13007 3.43552
|
|
52 6S -1.18655 -1.69656 0.00000 -1.24210 0.46059
|
|
53 7PX -0.02037 -0.02376 0.00000 -0.00636 0.02437
|
|
54 7PY -0.15109 -0.07374 0.00000 -0.09307 -0.04138
|
|
55 7PZ 0.00000 0.00000 0.00422 0.00000 0.00000
|
|
56 8PX 0.03702 0.04843 0.00000 0.36842 0.61602
|
|
57 8PY -1.74241 -0.96104 0.00000 -1.14820 -0.67908
|
|
58 8PZ 0.00000 0.00000 0.09007 0.00000 0.00000
|
|
59 9PX 0.11635 -0.13796 0.00000 -0.10323 -0.05511
|
|
60 9PY 0.61104 0.32027 0.00000 0.37674 0.07438
|
|
61 9PZ 0.00000 0.00000 -0.00336 0.00000 0.00000
|
|
62 10PX 1.14547 -1.49923 0.00000 -0.33889 0.61947
|
|
63 10PY -4.09653 0.76417 0.00000 -1.88176 0.13721
|
|
64 10PZ 0.00000 0.00000 -0.51820 0.00000 0.00000
|
|
65 11PX -0.01735 -0.31872 0.00000 0.08205 -0.10000
|
|
66 11PY -0.27090 -0.00208 0.00000 -0.16922 -0.04631
|
|
67 11PZ 0.00000 0.00000 0.16470 0.00000 0.00000
|
|
68 12D 0 0.16707 0.15765 0.00000 0.13867 0.03133
|
|
69 12D+1 0.00000 0.00000 -0.03194 0.00000 0.00000
|
|
70 12D-1 0.00000 0.00000 0.02683 0.00000 0.00000
|
|
71 12D+2 0.42548 0.64375 0.00000 0.78652 0.78011
|
|
72 12D-2 -1.52593 -0.02384 0.00000 -0.30803 -0.73329
|
|
73 13D 0 0.01043 -0.04951 0.00000 -0.07423 -0.05974
|
|
74 13D+1 0.00000 0.00000 -0.00213 0.00000 0.00000
|
|
75 13D-1 0.00000 0.00000 0.00448 0.00000 0.00000
|
|
76 13D+2 0.00384 0.17285 0.00000 0.14156 -0.02478
|
|
77 13D-2 0.12688 -0.01139 0.00000 0.00963 0.02913
|
|
78 14D 0 0.25441 0.08383 0.00000 0.02147 0.05246
|
|
79 14D+1 0.00000 0.00000 -0.09544 0.00000 0.00000
|
|
80 14D-1 0.00000 0.00000 -0.09568 0.00000 0.00000
|
|
81 14D+2 0.71903 -0.36290 0.00000 0.36841 0.13400
|
|
82 14D-2 -0.65458 0.36952 0.00000 -0.34965 -0.14376
|
|
83 15F 0 0.00000 0.00000 0.02613 0.00000 0.00000
|
|
84 15F+1 0.04971 -0.28528 0.00000 -0.18444 0.00693
|
|
85 15F-1 0.13412 0.19964 0.00000 0.07661 0.00933
|
|
86 15F+2 0.00000 0.00000 0.04138 0.00000 0.00000
|
|
87 15F-2 0.00000 0.00000 -0.09217 0.00000 0.00000
|
|
88 15F+3 -0.08029 0.32046 0.00000 0.32596 -0.00213
|
|
89 15F-3 -0.06160 -0.08677 0.00000 0.08832 -0.12358
|
|
90 16F 0 0.00000 0.00000 -0.01809 0.00000 0.00000
|
|
91 16F+1 -0.01293 0.07460 0.00000 -0.02694 -0.03367
|
|
92 16F-1 0.22671 -0.07153 0.00000 0.09130 0.26607
|
|
93 16F+2 0.00000 0.00000 -0.05265 0.00000 0.00000
|
|
94 16F-2 0.00000 0.00000 0.06485 0.00000 0.00000
|
|
95 16F+3 0.27862 0.07797 0.00000 -0.02411 0.30285
|
|
96 16F-3 -0.71347 0.29849 0.00000 -0.04587 0.02943
|
|
97 3 H 1S 0.00276 -0.24160 0.00000 -0.15090 0.07617
|
|
98 2S -0.54125 -0.43267 0.00000 -0.72889 -1.19376
|
|
99 3S -2.15779 4.81654 0.00000 0.82021 -0.74649
|
|
100 4S -0.05096 0.34532 0.00000 0.08043 0.17066
|
|
101 5PX -0.34933 1.19598 0.00000 0.70703 -0.18397
|
|
102 5PY -1.13958 -0.02571 0.00000 -0.38385 -0.38519
|
|
103 5PZ 0.00000 0.00000 -0.00415 0.00000 0.00000
|
|
104 6PX 0.68049 -1.05532 0.00000 -0.32295 0.78820
|
|
105 6PY 2.22143 -0.11794 0.00000 0.48684 0.73668
|
|
106 6PZ 0.00000 0.00000 0.02994 0.00000 0.00000
|
|
107 7PX 0.88019 -1.65459 0.00000 -0.29556 0.38496
|
|
108 7PY 0.66029 0.02202 0.00000 0.53277 0.20073
|
|
109 7PZ 0.00000 0.00000 0.00787 0.00000 0.00000
|
|
110 8D 0 -0.08503 0.13084 0.00000 0.07300 0.02010
|
|
111 8D+1 0.00000 0.00000 0.02026 0.00000 0.00000
|
|
112 8D-1 0.00000 0.00000 0.06953 0.00000 0.00000
|
|
113 8D+2 -0.24448 -0.22661 0.00000 -0.24401 -0.16147
|
|
114 8D-2 -0.53318 -0.00371 0.00000 0.08314 -0.18746
|
|
115 9D 0 0.03594 -0.37406 0.00000 -0.20356 -0.02539
|
|
116 9D+1 0.00000 0.00000 -0.03475 0.00000 0.00000
|
|
117 9D-1 0.00000 0.00000 -0.08943 0.00000 0.00000
|
|
118 9D+2 -0.31882 0.44690 0.00000 0.20380 -0.31505
|
|
119 9D-2 -0.55015 -0.03641 0.00000 -0.34293 -0.14524
|
|
120 4 H 1S -0.07783 -0.06431 0.00000 0.29260 0.17905
|
|
121 2S -3.23738 -1.25312 0.00000 4.93572 0.71524
|
|
122 3S -1.35877 -0.48236 0.00000 1.84513 -1.46338
|
|
123 4S -0.07428 0.15819 0.00000 -0.59234 -0.24919
|
|
124 5PX -0.26080 -0.11879 0.00000 0.20459 0.43844
|
|
125 5PY -0.33418 -0.32676 0.00000 0.17799 0.53842
|
|
126 5PZ 0.00000 0.00000 -0.99340 0.00000 0.00000
|
|
127 6PX -0.19476 -0.15914 0.00000 1.67709 -0.48093
|
|
128 6PY 0.92724 1.14033 0.00000 -1.47676 -1.59538
|
|
129 6PZ 0.00000 0.00000 2.86851 0.00000 0.00000
|
|
130 7PX -0.18548 0.01796 0.00000 0.53029 -0.25543
|
|
131 7PY 0.56442 0.66028 0.00000 -0.86692 -0.21072
|
|
132 7PZ 0.00000 0.00000 2.12308 0.00000 0.00000
|
|
133 8D 0 -0.01704 -0.01177 0.00000 -0.04961 0.22211
|
|
134 8D+1 0.00000 0.00000 0.06193 0.00000 0.00000
|
|
135 8D-1 0.00000 0.00000 0.06926 0.00000 0.00000
|
|
136 8D+2 -0.02614 0.13336 0.00000 -0.14220 0.04383
|
|
137 8D-2 0.11102 0.27509 0.00000 -0.11296 -0.13934
|
|
138 9D 0 0.14230 0.11846 0.00000 -0.19259 -0.29290
|
|
139 9D+1 0.00000 0.00000 1.08365 0.00000 0.00000
|
|
140 9D-1 0.00000 0.00000 -0.09287 0.00000 0.00000
|
|
141 9D+2 0.27032 0.21442 0.00000 0.17565 -0.49808
|
|
142 9D-2 0.04131 0.28241 0.00000 -0.42042 -0.22723
|
|
143 5 H 1S 0.06643 0.09357 -0.23917 -0.09331 0.18897
|
|
144 2S -0.70110 0.77358 -4.29098 -3.00232 1.49005
|
|
145 3S 1.07478 -0.94686 -1.25236 -1.23186 -0.69141
|
|
146 4S 0.08071 -0.20217 0.46565 0.28420 -0.11579
|
|
147 5PX 0.19220 0.24359 0.56433 -0.58767 -0.33007
|
|
148 5PY -0.04282 0.26442 -0.32025 -0.14395 0.61233
|
|
149 5PZ 0.05204 -0.33203 0.00644 0.48402 -0.43232
|
|
150 6PX -0.72269 -0.86739 -0.79799 2.20394 0.37952
|
|
151 6PY 0.25722 -0.94068 1.86218 0.96435 -1.63226
|
|
152 6PZ 0.01935 0.50100 1.61978 -0.36768 0.37609
|
|
153 7PX -0.43107 -0.62238 -0.87068 1.50455 0.13139
|
|
154 7PY -0.66991 -0.37410 1.06274 0.54878 -0.50801
|
|
155 7PZ 0.31425 0.62245 0.68148 -0.60090 0.27989
|
|
156 8D 0 -0.01009 -0.03697 0.10659 0.05189 0.03219
|
|
157 8D+1 0.08935 -0.03267 0.06790 -0.01966 -0.15776
|
|
158 8D-1 -0.10782 0.13397 -0.18899 -0.09394 0.11833
|
|
159 8D+2 0.01998 -0.04428 0.18350 0.08036 0.16772
|
|
160 8D-2 -0.00510 -0.09258 -0.12203 -0.07691 0.09337
|
|
161 9D 0 -0.12838 -0.36447 -0.35705 0.60244 -0.37057
|
|
162 9D+1 0.07616 0.18194 0.19718 -0.49446 -0.05254
|
|
163 9D-1 0.12564 0.22128 -0.42370 -0.09501 0.15005
|
|
164 9D+2 0.23581 0.04946 0.41173 -0.27028 -0.56347
|
|
165 9D-2 -0.02515 0.24817 -0.13265 -0.18931 -0.06648
|
|
166 6 H 1S 0.06643 0.09357 0.23917 -0.09331 0.18897
|
|
167 2S -0.70110 0.77358 4.29098 -3.00232 1.49005
|
|
168 3S 1.07478 -0.94686 1.25236 -1.23186 -0.69141
|
|
169 4S 0.08071 -0.20217 -0.46565 0.28420 -0.11579
|
|
170 5PX 0.19220 0.24359 -0.56433 -0.58767 -0.33007
|
|
171 5PY -0.04282 0.26442 0.32025 -0.14395 0.61233
|
|
172 5PZ -0.05204 0.33203 0.00644 -0.48402 0.43232
|
|
173 6PX -0.72269 -0.86739 0.79799 2.20394 0.37952
|
|
174 6PY 0.25722 -0.94068 -1.86218 0.96435 -1.63226
|
|
175 6PZ -0.01935 -0.50100 1.61978 0.36768 -0.37609
|
|
176 7PX -0.43107 -0.62238 0.87068 1.50455 0.13139
|
|
177 7PY -0.66991 -0.37410 -1.06274 0.54878 -0.50801
|
|
178 7PZ -0.31425 -0.62245 0.68148 0.60090 -0.27989
|
|
179 8D 0 -0.01009 -0.03697 -0.10659 0.05189 0.03219
|
|
180 8D+1 -0.08935 0.03267 0.06790 0.01966 0.15776
|
|
181 8D-1 0.10782 -0.13397 -0.18899 0.09394 -0.11833
|
|
182 8D+2 0.01998 -0.04428 -0.18350 0.08036 0.16772
|
|
183 8D-2 -0.00510 -0.09258 0.12203 -0.07691 0.09337
|
|
184 9D 0 -0.12838 -0.36447 0.35705 0.60244 -0.37057
|
|
185 9D+1 -0.07616 -0.18194 0.19718 0.49446 0.05254
|
|
186 9D-1 -0.12564 -0.22128 -0.42370 0.09501 -0.15005
|
|
187 9D+2 0.23581 0.04946 -0.41173 -0.27028 -0.56347
|
|
188 9D-2 -0.02515 0.24817 0.13265 -0.18931 -0.06648
|
|
171 172 173 174 175
|
|
V V V V V
|
|
Eigenvalues -- 4.90103 4.95141 4.98899 5.12496 5.16248
|
|
1 1 C 1S 0.00000 0.00000 0.00610 -0.03217 0.00000
|
|
2 2S 0.00000 0.00000 -0.05711 0.06716 0.00000
|
|
3 3S 0.00000 0.00000 -0.06576 0.13589 0.00000
|
|
4 4S 0.00000 0.00000 1.43093 0.23116 0.00000
|
|
5 5S 0.00000 0.00000 -0.43060 -0.09175 0.00000
|
|
6 6PX 0.00000 0.00000 -0.02440 -0.41439 0.00000
|
|
7 6PY 0.00000 0.00000 -0.10455 -0.23085 0.00000
|
|
8 6PZ -0.02157 0.10329 0.00000 0.00000 -0.57913
|
|
9 7PX 0.00000 0.00000 1.14121 1.44870 0.00000
|
|
10 7PY 0.00000 0.00000 0.54677 1.13150 0.00000
|
|
11 7PZ 0.08706 -1.22244 0.00000 0.00000 1.35612
|
|
12 8PX 0.00000 0.00000 -1.66092 0.87962 0.00000
|
|
13 8PY 0.00000 0.00000 -0.41982 0.91033 0.00000
|
|
14 8PZ -0.80581 1.76093 0.00000 0.00000 0.64176
|
|
15 9PX 0.00000 0.00000 -0.45654 -0.12609 0.00000
|
|
16 9PY 0.00000 0.00000 0.05911 0.00716 0.00000
|
|
17 9PZ -0.07433 0.47214 0.00000 0.00000 0.00011
|
|
18 10D 0 0.00000 0.00000 0.02337 -0.14392 0.00000
|
|
19 10D+1 -0.00662 0.02862 0.00000 0.00000 -0.13775
|
|
20 10D-1 0.03918 -0.08902 0.00000 0.00000 -0.31759
|
|
21 10D+2 0.00000 0.00000 -0.03290 -0.01168 0.00000
|
|
22 10D-2 0.00000 0.00000 0.03734 -0.26928 0.00000
|
|
23 11D 0 0.00000 0.00000 2.14589 0.24837 0.00000
|
|
24 11D+1 0.18900 -2.25233 0.00000 0.00000 -0.59574
|
|
25 11D-1 0.29522 -2.54729 0.00000 0.00000 1.62434
|
|
26 11D+2 0.00000 0.00000 -1.14683 -0.03018 0.00000
|
|
27 11D-2 0.00000 0.00000 2.56722 1.61740 0.00000
|
|
28 12D 0 0.00000 0.00000 -0.10608 0.42738 0.00000
|
|
29 12D+1 -0.34705 -0.03687 0.00000 0.00000 0.12274
|
|
30 12D-1 0.05281 0.26719 0.00000 0.00000 0.35898
|
|
31 12D+2 0.00000 0.00000 0.01851 -0.14903 0.00000
|
|
32 12D-2 0.00000 0.00000 -0.20953 0.46774 0.00000
|
|
33 13F 0 0.55851 0.27247 0.00000 0.00000 0.45071
|
|
34 13F+1 0.00000 0.00000 -0.08317 0.14612 0.00000
|
|
35 13F-1 0.00000 0.00000 0.23441 -0.10292 0.00000
|
|
36 13F+2 -0.47826 0.12953 0.00000 0.00000 0.70868
|
|
37 13F-2 0.00287 -0.25940 0.00000 0.00000 -0.18821
|
|
38 13F+3 0.00000 0.00000 -0.19067 0.49574 0.00000
|
|
39 13F-3 0.00000 0.00000 -0.21315 0.20959 0.00000
|
|
40 14F 0 1.30714 0.73517 0.00000 0.00000 -0.36882
|
|
41 14F+1 0.00000 0.00000 -0.09082 -0.23450 0.00000
|
|
42 14F-1 0.00000 0.00000 1.53458 0.28927 0.00000
|
|
43 14F+2 -1.18592 0.37665 0.00000 0.00000 -0.50099
|
|
44 14F-2 -0.03713 -1.59693 0.00000 0.00000 0.15931
|
|
45 14F+3 0.00000 0.00000 -0.29819 -0.31875 0.00000
|
|
46 14F-3 0.00000 0.00000 -1.24606 -0.33748 0.00000
|
|
47 2 S 1S 0.00000 0.00000 0.00410 -0.00177 0.00000
|
|
48 2S 0.00000 0.00000 0.08069 0.70714 0.00000
|
|
49 3S 0.00000 0.00000 0.21927 0.89377 0.00000
|
|
50 4S 0.00000 0.00000 -0.03064 -0.78715 0.00000
|
|
51 5S 0.00000 0.00000 0.38397 -5.51558 0.00000
|
|
52 6S 0.00000 0.00000 0.57082 -1.91703 0.00000
|
|
53 7PX 0.00000 0.00000 0.03768 -0.00748 0.00000
|
|
54 7PY 0.00000 0.00000 0.03663 0.09432 0.00000
|
|
55 7PZ 0.00083 -0.03306 0.00000 0.00000 0.01096
|
|
56 8PX 0.00000 0.00000 0.56124 -2.10277 0.00000
|
|
57 8PY 0.00000 0.00000 0.22104 1.26834 0.00000
|
|
58 8PZ -0.00346 -0.23060 0.00000 0.00000 0.14735
|
|
59 9PX 0.00000 0.00000 -0.09135 -0.01693 0.00000
|
|
60 9PY 0.00000 0.00000 -0.15193 -0.36491 0.00000
|
|
61 9PZ -0.00858 0.13800 0.00000 0.00000 -0.06590
|
|
62 10PX 0.00000 0.00000 -0.22332 -3.66491 0.00000
|
|
63 10PY 0.00000 0.00000 0.12164 0.05329 0.00000
|
|
64 10PZ -0.00952 0.41855 0.00000 0.00000 -0.23239
|
|
65 11PX 0.00000 0.00000 -0.02861 -0.23166 0.00000
|
|
66 11PY 0.00000 0.00000 0.11726 -0.14297 0.00000
|
|
67 11PZ 0.00625 -0.01508 0.00000 0.00000 -0.04398
|
|
68 12D 0 0.00000 0.00000 0.25919 0.62680 0.00000
|
|
69 12D+1 -0.07795 -0.17150 0.00000 0.00000 0.07717
|
|
70 12D-1 -0.02645 -0.25545 0.00000 0.00000 0.02640
|
|
71 12D+2 0.00000 0.00000 -0.54537 -1.51102 0.00000
|
|
72 12D-2 0.00000 0.00000 0.59407 0.54912 0.00000
|
|
73 13D 0 0.00000 0.00000 -0.03868 0.18225 0.00000
|
|
74 13D+1 0.01502 0.02528 0.00000 0.00000 -0.00771
|
|
75 13D-1 0.01832 0.00186 0.00000 0.00000 0.07671
|
|
76 13D+2 0.00000 0.00000 0.10256 -0.39688 0.00000
|
|
77 13D-2 0.00000 0.00000 -0.02422 0.12138 0.00000
|
|
78 14D 0 0.00000 0.00000 0.01279 0.46297 0.00000
|
|
79 14D+1 0.05575 0.09965 0.00000 0.00000 -0.00883
|
|
80 14D-1 -0.09504 0.22856 0.00000 0.00000 -0.26331
|
|
81 14D+2 0.00000 0.00000 -0.16129 -0.50098 0.00000
|
|
82 14D-2 0.00000 0.00000 -0.33174 -0.25093 0.00000
|
|
83 15F 0 -0.05351 0.11133 0.00000 0.00000 -0.14571
|
|
84 15F+1 0.00000 0.00000 -0.00994 0.13027 0.00000
|
|
85 15F-1 0.00000 0.00000 0.05114 -0.13039 0.00000
|
|
86 15F+2 0.00729 0.14109 0.00000 0.00000 -0.21572
|
|
87 15F-2 0.00974 -0.10937 0.00000 0.00000 0.00326
|
|
88 15F+3 0.00000 0.00000 -0.30857 -0.40344 0.00000
|
|
89 15F-3 0.00000 0.00000 -0.06839 0.06191 0.00000
|
|
90 16F 0 -0.05091 -0.09731 0.00000 0.00000 0.07929
|
|
91 16F+1 0.00000 0.00000 0.07981 0.26942 0.00000
|
|
92 16F-1 0.00000 0.00000 0.09137 0.04497 0.00000
|
|
93 16F+2 0.07581 0.03513 0.00000 0.00000 0.18522
|
|
94 16F-2 -0.11544 -0.15554 0.00000 0.00000 0.02062
|
|
95 16F+3 0.00000 0.00000 -0.16243 -0.24191 0.00000
|
|
96 16F-3 0.00000 0.00000 -0.17218 0.10070 0.00000
|
|
97 3 H 1S 0.00000 0.00000 0.15523 -0.56161 0.00000
|
|
98 2S 0.00000 0.00000 0.35224 4.16183 0.00000
|
|
99 3S 0.00000 0.00000 -0.90015 5.56342 0.00000
|
|
100 4S 0.00000 0.00000 0.04013 0.26998 0.00000
|
|
101 5PX 0.00000 0.00000 -0.32445 0.21470 0.00000
|
|
102 5PY 0.00000 0.00000 0.07671 -0.13091 0.00000
|
|
103 5PZ -0.12996 0.14467 0.00000 0.00000 0.04960
|
|
104 6PX 0.00000 0.00000 0.38673 -2.43767 0.00000
|
|
105 6PY 0.00000 0.00000 -0.13530 0.32577 0.00000
|
|
106 6PZ 0.10923 -0.21903 0.00000 0.00000 -0.08964
|
|
107 7PX 0.00000 0.00000 0.47229 -1.27317 0.00000
|
|
108 7PY 0.00000 0.00000 -0.04334 0.52841 0.00000
|
|
109 7PZ -0.03309 -0.12273 0.00000 0.00000 -0.10368
|
|
110 8D 0 0.00000 0.00000 0.06288 -0.38383 0.00000
|
|
111 8D+1 0.02300 0.00754 0.00000 0.00000 -0.02405
|
|
112 8D-1 -0.00801 0.01994 0.00000 0.00000 0.03071
|
|
113 8D+2 0.00000 0.00000 -0.01660 0.76512 0.00000
|
|
114 8D-2 0.00000 0.00000 -0.01265 -0.07742 0.00000
|
|
115 9D 0 0.00000 0.00000 0.17186 -0.04381 0.00000
|
|
116 9D+1 -0.04254 0.09101 0.00000 0.00000 0.04802
|
|
117 9D-1 0.18035 -0.00208 0.00000 0.00000 -0.06579
|
|
118 9D+2 0.00000 0.00000 -0.09283 0.02496 0.00000
|
|
119 9D-2 0.00000 0.00000 0.09831 -0.04356 0.00000
|
|
120 4 H 1S 0.00000 0.00000 0.31282 0.21516 0.00000
|
|
121 2S 0.00000 0.00000 3.50739 1.39832 0.00000
|
|
122 3S 0.00000 0.00000 -1.48022 0.63308 0.00000
|
|
123 4S 0.00000 0.00000 -0.39832 -0.15675 0.00000
|
|
124 5PX 0.00000 0.00000 -0.28370 0.08714 0.00000
|
|
125 5PY 0.00000 0.00000 -0.69438 -0.53748 0.00000
|
|
126 5PZ -0.62773 0.48717 0.00000 0.00000 -0.03163
|
|
127 6PX 0.00000 0.00000 2.24828 0.28598 0.00000
|
|
128 6PY 0.00000 0.00000 2.40118 0.73256 0.00000
|
|
129 6PZ 2.50172 -1.51669 0.00000 0.00000 -0.91056
|
|
130 7PX 0.00000 0.00000 0.08710 0.03637 0.00000
|
|
131 7PY 0.00000 0.00000 0.61684 0.52990 0.00000
|
|
132 7PZ 0.22264 -0.54108 0.00000 0.00000 -0.06883
|
|
133 8D 0 0.00000 0.00000 -0.12572 0.20947 0.00000
|
|
134 8D+1 0.68533 -0.21930 0.00000 0.00000 -0.66221
|
|
135 8D-1 -0.43191 0.13471 0.00000 0.00000 0.15291
|
|
136 8D+2 0.00000 0.00000 0.59398 -0.37606 0.00000
|
|
137 8D-2 0.00000 0.00000 0.52760 -0.26889 0.00000
|
|
138 9D 0 0.00000 0.00000 -0.16362 -0.10652 0.00000
|
|
139 9D+1 0.49710 -0.51092 0.00000 0.00000 -0.22501
|
|
140 9D-1 -0.28834 -0.07708 0.00000 0.00000 -0.11062
|
|
141 9D+2 0.00000 0.00000 0.59624 0.12914 0.00000
|
|
142 9D-2 0.00000 0.00000 0.49405 0.36807 0.00000
|
|
143 5 H 1S -0.06568 0.27346 -0.15718 -0.16157 -0.31399
|
|
144 2S -0.20250 3.19886 -2.45923 -0.93101 -0.62082
|
|
145 3S 0.95404 -1.17134 0.53562 -0.45416 0.62340
|
|
146 4S 0.05045 -0.33802 0.17366 0.09953 0.08239
|
|
147 5PX -0.45111 -0.20650 -0.50731 -0.01422 0.06145
|
|
148 5PY 0.11710 -0.59251 0.22588 0.42008 0.71575
|
|
149 5PZ 0.20223 0.39709 0.14923 0.15389 0.21158
|
|
150 6PX 1.98314 0.28859 2.21212 -0.06495 0.38177
|
|
151 6PY -0.22402 1.75576 -0.75385 -0.84653 -1.13474
|
|
152 6PZ -0.81568 -2.50218 0.23862 0.44829 -0.32016
|
|
153 7PX 0.29800 0.25815 0.54432 0.21731 -0.02653
|
|
154 7PY -0.18178 0.39347 -0.13315 -0.26624 -0.61978
|
|
155 7PZ -0.26447 -0.30886 -0.07957 0.09698 -0.24353
|
|
156 8D 0 0.37019 0.55317 0.03196 -0.28124 0.48967
|
|
157 8D+1 -0.36252 0.13523 -0.33858 0.26677 0.26452
|
|
158 8D-1 0.27205 -0.26391 0.30202 0.08282 -0.02868
|
|
159 8D+2 -0.24408 0.17421 -0.32609 -0.00263 -0.10873
|
|
160 8D-2 -0.35608 -0.39693 -0.04849 0.13282 -0.10753
|
|
161 9D 0 0.21546 0.65946 0.16941 -0.14998 0.00696
|
|
162 9D+1 -0.25366 0.14941 -0.48298 -0.02216 -0.15838
|
|
163 9D-1 0.14899 -0.23124 0.08377 0.21405 0.37827
|
|
164 9D+2 -0.17964 0.08783 -0.34499 -0.06421 -0.14194
|
|
165 9D-2 -0.22474 -0.21578 0.05277 0.02552 0.23493
|
|
166 6 H 1S 0.06568 -0.27346 -0.15718 -0.16157 0.31399
|
|
167 2S 0.20250 -3.19886 -2.45923 -0.93101 0.62082
|
|
168 3S -0.95404 1.17134 0.53562 -0.45416 -0.62340
|
|
169 4S -0.05045 0.33802 0.17366 0.09953 -0.08239
|
|
170 5PX 0.45111 0.20650 -0.50731 -0.01422 -0.06145
|
|
171 5PY -0.11710 0.59251 0.22588 0.42008 -0.71575
|
|
172 5PZ 0.20223 0.39709 -0.14923 -0.15389 0.21158
|
|
173 6PX -1.98314 -0.28859 2.21212 -0.06495 -0.38177
|
|
174 6PY 0.22402 -1.75576 -0.75385 -0.84653 1.13474
|
|
175 6PZ -0.81568 -2.50218 -0.23862 -0.44829 -0.32016
|
|
176 7PX -0.29800 -0.25815 0.54432 0.21731 0.02653
|
|
177 7PY 0.18178 -0.39347 -0.13315 -0.26624 0.61978
|
|
178 7PZ -0.26447 -0.30886 0.07957 -0.09698 -0.24353
|
|
179 8D 0 -0.37019 -0.55317 0.03196 -0.28124 -0.48967
|
|
180 8D+1 -0.36252 0.13523 0.33858 -0.26677 0.26452
|
|
181 8D-1 0.27205 -0.26391 -0.30202 -0.08282 -0.02868
|
|
182 8D+2 0.24408 -0.17421 -0.32609 -0.00263 0.10873
|
|
183 8D-2 0.35608 0.39693 -0.04849 0.13282 0.10753
|
|
184 9D 0 -0.21546 -0.65946 0.16941 -0.14998 -0.00696
|
|
185 9D+1 -0.25366 0.14941 0.48298 0.02216 -0.15838
|
|
186 9D-1 0.14899 -0.23124 -0.08377 -0.21405 0.37827
|
|
187 9D+2 0.17964 -0.08783 -0.34499 -0.06421 0.14194
|
|
188 9D-2 0.22474 0.21578 0.05277 0.02552 -0.23493
|
|
176 177 178 179 180
|
|
V V V V V
|
|
Eigenvalues -- 5.22478 5.30009 5.52819 5.54743 5.56228
|
|
1 1 C 1S -0.03160 0.01104 0.00000 -0.08865 -0.28597
|
|
2 2S -0.15093 -0.51954 0.00000 0.18522 0.16424
|
|
3 3S -0.12924 -0.45216 0.00000 0.16669 0.26304
|
|
4 4S 0.21788 -8.50405 0.00000 6.93000 11.23979
|
|
5 5S 0.19997 -2.12910 0.00000 1.34425 2.06062
|
|
6 6PX 0.34713 -0.12972 0.00000 -0.20951 0.05935
|
|
7 6PY -0.30872 -0.21247 0.00000 0.04119 0.08111
|
|
8 6PZ 0.00000 0.00000 0.25309 0.00000 0.00000
|
|
9 7PX -0.94203 -0.06478 0.00000 -0.69272 0.18514
|
|
10 7PY 1.90820 0.97538 0.00000 0.62650 1.89684
|
|
11 7PZ 0.00000 0.00000 0.99751 0.00000 0.00000
|
|
12 8PX -1.08934 0.45358 0.00000 -0.49649 -0.16611
|
|
13 8PY 1.98124 1.81359 0.00000 0.15435 0.73736
|
|
14 8PZ 0.00000 0.00000 0.13307 0.00000 0.00000
|
|
15 9PX -0.08482 0.08621 0.00000 0.17393 -0.01302
|
|
16 9PY 0.03474 0.46565 0.00000 -0.10502 -0.00687
|
|
17 9PZ 0.00000 0.00000 -0.18609 0.00000 0.00000
|
|
18 10D 0 0.04793 -0.12937 0.00000 -0.13418 0.56650
|
|
19 10D+1 0.00000 0.00000 0.40735 0.00000 0.00000
|
|
20 10D-1 0.00000 0.00000 -0.28550 0.00000 0.00000
|
|
21 10D+2 -0.16918 0.01188 0.00000 0.38395 0.73506
|
|
22 10D-2 0.18056 0.02332 0.00000 0.33934 -0.03220
|
|
23 11D 0 -0.07979 -1.62400 0.00000 -1.61629 0.42507
|
|
24 11D+1 0.00000 0.00000 2.07993 0.00000 0.00000
|
|
25 11D-1 0.00000 0.00000 -1.23040 0.00000 0.00000
|
|
26 11D+2 -0.30855 -1.54151 0.00000 1.02457 -0.67544
|
|
27 11D-2 -1.61395 0.09117 0.00000 1.65752 -0.20420
|
|
28 12D 0 -0.13377 0.09805 0.00000 -0.59472 0.13291
|
|
29 12D+1 0.00000 0.00000 0.66536 0.00000 0.00000
|
|
30 12D-1 0.00000 0.00000 -0.89416 0.00000 0.00000
|
|
31 12D+2 0.32325 0.18901 0.00000 0.22413 0.01576
|
|
32 12D-2 -0.22852 0.29322 0.00000 0.68923 -0.50885
|
|
33 13F 0 0.00000 0.00000 0.44104 0.00000 0.00000
|
|
34 13F+1 -0.21519 0.06353 0.00000 -0.04102 0.80907
|
|
35 13F-1 0.28572 0.29169 0.00000 0.31469 0.07874
|
|
36 13F+2 0.00000 0.00000 0.76397 0.00000 0.00000
|
|
37 13F-2 0.00000 0.00000 -0.36064 0.00000 0.00000
|
|
38 13F+3 -0.53770 0.05548 0.00000 -0.77428 0.03602
|
|
39 13F-3 -0.02247 0.47515 0.00000 -0.43835 0.31636
|
|
40 14F 0 0.00000 0.00000 -0.11387 0.00000 0.00000
|
|
41 14F+1 -0.21973 -1.12305 0.00000 0.33408 -0.24383
|
|
42 14F-1 -0.02764 0.00143 0.00000 -0.10481 0.83821
|
|
43 14F+2 0.00000 0.00000 -0.37697 0.00000 0.00000
|
|
44 14F-2 0.00000 0.00000 0.56321 0.00000 0.00000
|
|
45 14F+3 0.35971 0.01300 0.00000 0.12986 -0.17729
|
|
46 14F-3 0.54854 0.55121 0.00000 0.48706 0.54754
|
|
47 2 S 1S -0.00301 -0.01022 0.00000 0.00315 -0.00217
|
|
48 2S 0.53310 -0.48832 0.00000 0.14567 -0.04391
|
|
49 3S 0.60492 -0.93639 0.00000 0.27102 -0.12125
|
|
50 4S -0.71920 0.02110 0.00000 -0.06282 -0.05439
|
|
51 5S -4.35905 10.34518 0.00000 -2.98575 -0.12640
|
|
52 6S -1.86282 3.99639 0.00000 -1.27557 -0.78435
|
|
53 7PX -0.06820 0.09270 0.00000 0.01625 0.00646
|
|
54 7PY 0.07065 0.02806 0.00000 -0.01391 -0.01640
|
|
55 7PZ 0.00000 0.00000 -0.04047 0.00000 0.00000
|
|
56 8PX -2.01092 3.41773 0.00000 -0.07825 0.76819
|
|
57 8PY 0.62670 -0.98125 0.00000 -0.26246 -0.93380
|
|
58 8PZ 0.00000 0.00000 -0.39934 0.00000 0.00000
|
|
59 9PX 0.22348 -0.30631 0.00000 -0.06027 -0.01275
|
|
60 9PY -0.29924 -0.13699 0.00000 0.02363 -0.00175
|
|
61 9PZ 0.00000 0.00000 0.14884 0.00000 0.00000
|
|
62 10PX -3.19279 4.39840 0.00000 -0.63529 0.90596
|
|
63 10PY 0.55753 1.83282 0.00000 -0.67053 -1.48776
|
|
64 10PZ 0.00000 0.00000 -0.67005 0.00000 0.00000
|
|
65 11PX -0.11655 0.09287 0.00000 -0.02189 0.08808
|
|
66 11PY -0.13216 0.44240 0.00000 -0.18229 -0.22471
|
|
67 11PZ 0.00000 0.00000 0.03545 0.00000 0.00000
|
|
68 12D 0 0.43403 -1.18019 0.00000 0.30070 -0.10311
|
|
69 12D+1 0.00000 0.00000 -0.00658 0.00000 0.00000
|
|
70 12D-1 0.00000 0.00000 -0.50776 0.00000 0.00000
|
|
71 12D+2 -1.38825 1.88631 0.00000 -0.30872 0.71166
|
|
72 12D-2 -0.30763 -0.64231 0.00000 0.58733 -0.13370
|
|
73 13D 0 0.10699 -0.10262 0.00000 0.01615 -0.03089
|
|
74 13D+1 0.00000 0.00000 -0.00919 0.00000 0.00000
|
|
75 13D-1 0.00000 0.00000 0.04786 0.00000 0.00000
|
|
76 13D+2 -0.16004 0.63605 0.00000 -0.03378 0.22601
|
|
77 13D-2 0.02560 -0.08311 0.00000 -0.03322 -0.04176
|
|
78 14D 0 0.50572 -0.81896 0.00000 0.20208 0.07309
|
|
79 14D+1 0.00000 0.00000 0.03672 0.00000 0.00000
|
|
80 14D-1 0.00000 0.00000 -0.23912 0.00000 0.00000
|
|
81 14D+2 -0.67119 0.21866 0.00000 0.02039 0.50396
|
|
82 14D-2 0.21745 0.00210 0.00000 0.20274 0.08289
|
|
83 15F 0 0.00000 0.00000 0.04355 0.00000 0.00000
|
|
84 15F+1 0.16313 -0.26935 0.00000 0.00582 -0.09449
|
|
85 15F-1 -0.07037 0.16610 0.00000 0.05132 -0.03380
|
|
86 15F+2 0.00000 0.00000 0.03510 0.00000 0.00000
|
|
87 15F-2 0.00000 0.00000 -0.09472 0.00000 0.00000
|
|
88 15F+3 0.05562 0.37168 0.00000 -0.18001 0.15160
|
|
89 15F-3 -0.12602 0.03648 0.00000 -0.16252 -0.05683
|
|
90 16F 0 0.00000 0.00000 0.11691 0.00000 0.00000
|
|
91 16F+1 0.23500 -0.36178 0.00000 0.08217 -0.05346
|
|
92 16F-1 0.05431 -0.10262 0.00000 -0.06715 0.03568
|
|
93 16F+2 0.00000 0.00000 0.16163 0.00000 0.00000
|
|
94 16F-2 0.00000 0.00000 0.08724 0.00000 0.00000
|
|
95 16F+3 -0.34164 0.49387 0.00000 -0.25338 0.01818
|
|
96 16F-3 -0.10264 -0.19523 0.00000 0.16178 0.06822
|
|
97 3 H 1S -0.52669 0.76988 0.00000 -0.12061 0.23705
|
|
98 2S 3.37646 -6.17110 0.00000 1.15308 -1.42104
|
|
99 3S 5.40455 -6.24479 0.00000 1.41653 -2.01032
|
|
100 4S 0.24023 -0.12740 0.00000 -0.00368 -0.11735
|
|
101 5PX 0.28783 -0.19531 0.00000 0.00968 -0.04464
|
|
102 5PY -0.28853 -0.05201 0.00000 0.01640 0.13966
|
|
103 5PZ 0.00000 0.00000 0.01056 0.00000 0.00000
|
|
104 6PX -1.88396 3.34728 0.00000 -0.45052 0.91378
|
|
105 6PY 0.93472 -0.39923 0.00000 0.05708 -0.38312
|
|
106 6PZ 0.00000 0.00000 0.00068 0.00000 0.00000
|
|
107 7PX -1.35106 1.61134 0.00000 -0.37096 0.45586
|
|
108 7PY 0.35038 -0.21031 0.00000 -0.03189 -0.40600
|
|
109 7PZ 0.00000 0.00000 -0.01948 0.00000 0.00000
|
|
110 8D 0 -0.27214 0.49933 0.00000 -0.06442 0.14706
|
|
111 8D+1 0.00000 0.00000 -0.01473 0.00000 0.00000
|
|
112 8D-1 0.00000 0.00000 0.03724 0.00000 0.00000
|
|
113 8D+2 0.33162 -0.73974 0.00000 0.05186 -0.20853
|
|
114 8D-2 -0.24940 0.27984 0.00000 -0.13580 0.08410
|
|
115 9D 0 -0.07326 0.03521 0.00000 0.03709 0.12166
|
|
116 9D+1 0.00000 0.00000 -0.00311 0.00000 0.00000
|
|
117 9D-1 0.00000 0.00000 -0.02293 0.00000 0.00000
|
|
118 9D+2 0.00733 -0.27044 0.00000 -0.02573 0.06558
|
|
119 9D-2 -0.20875 -0.05959 0.00000 0.05468 0.08530
|
|
120 4 H 1S -0.35232 -0.11429 0.00000 0.36917 -0.13777
|
|
121 2S -1.02977 1.34498 0.00000 -3.60292 -2.23413
|
|
122 3S -0.60757 1.29956 0.00000 -3.11007 -1.48375
|
|
123 4S 0.01002 0.04706 0.00000 0.07958 -0.04184
|
|
124 5PX -0.39823 -0.00378 0.00000 0.21088 -0.83430
|
|
125 5PY 0.69717 0.03766 0.00000 0.43790 0.22328
|
|
126 5PZ 0.00000 0.00000 -0.34127 0.00000 0.00000
|
|
127 6PX -0.08828 -0.19570 0.00000 -1.47027 -0.25934
|
|
128 6PY -1.99771 -1.13316 0.00000 1.24980 -0.55792
|
|
129 6PZ 0.00000 0.00000 1.70533 0.00000 0.00000
|
|
130 7PX -0.04376 0.22146 0.00000 -0.80338 0.05682
|
|
131 7PY -0.65206 -0.02332 0.00000 0.36041 -0.57641
|
|
132 7PZ 0.00000 0.00000 0.88362 0.00000 0.00000
|
|
133 8D 0 -0.37591 -0.06474 0.00000 0.34535 0.26263
|
|
134 8D+1 0.00000 0.00000 0.52714 0.00000 0.00000
|
|
135 8D-1 0.00000 0.00000 0.11760 0.00000 0.00000
|
|
136 8D+2 -0.07487 -0.25160 0.00000 0.17529 -0.46002
|
|
137 8D-2 -0.34557 -0.47204 0.00000 1.10828 0.03264
|
|
138 9D 0 -0.10502 -0.13426 0.00000 0.15721 -0.51433
|
|
139 9D+1 0.00000 0.00000 0.45667 0.00000 0.00000
|
|
140 9D-1 0.00000 0.00000 0.00731 0.00000 0.00000
|
|
141 9D+2 -0.13926 -0.26313 0.00000 -0.05357 0.21874
|
|
142 9D-2 -0.58073 -0.02709 0.00000 0.01095 -0.33584
|
|
143 5 H 1S 0.04058 -0.27984 0.31087 -0.08864 -0.02824
|
|
144 2S 0.21936 2.37943 -1.97485 -0.78862 -3.63906
|
|
145 3S -0.13837 0.90185 -1.20395 -0.14911 -1.53736
|
|
146 4S 0.00015 -0.03336 0.08366 -0.08516 -0.06740
|
|
147 5PX 0.02162 0.18608 -0.15168 0.36947 0.21054
|
|
148 5PY -0.05918 0.26425 0.29874 -0.02265 0.49443
|
|
149 5PZ 0.08941 0.15201 -0.41466 0.22425 0.57896
|
|
150 6PX 0.60949 -0.64320 -0.13102 -1.16469 0.86673
|
|
151 6PY -0.42219 -1.75158 0.96226 -0.52913 -0.15464
|
|
152 6PZ -0.09513 -0.10583 1.38475 0.58448 0.65135
|
|
153 7PX 0.08883 -0.26553 -0.13472 -0.65773 0.20392
|
|
154 7PY 0.03016 -0.29227 0.40880 -0.30087 -0.24560
|
|
155 7PZ 0.11730 -0.13164 0.59126 0.21548 -0.10198
|
|
156 8D 0 -0.02171 -0.27215 -0.04858 -0.57260 -0.14459
|
|
157 8D+1 -0.40499 0.23436 0.18013 0.05970 -0.41939
|
|
158 8D-1 0.35614 0.47283 -0.70753 0.24919 -0.48290
|
|
159 8D+2 -0.41762 -0.22929 0.49704 0.02413 0.02490
|
|
160 8D-2 0.06831 0.27418 -0.34600 0.09104 -0.23863
|
|
161 9D 0 0.07867 -0.20492 -0.30956 -0.15245 0.18921
|
|
162 9D+1 0.00522 0.13033 -0.15582 0.39904 0.23947
|
|
163 9D-1 -0.06499 0.24251 -0.09213 0.15840 0.34466
|
|
164 9D+2 -0.18836 -0.16357 0.13526 0.07273 -0.29122
|
|
165 9D-2 -0.05719 0.09364 -0.07232 0.12936 0.20245
|
|
166 6 H 1S 0.04058 -0.27984 -0.31087 -0.08864 -0.02824
|
|
167 2S 0.21936 2.37943 1.97485 -0.78862 -3.63906
|
|
168 3S -0.13837 0.90185 1.20395 -0.14911 -1.53736
|
|
169 4S 0.00015 -0.03336 -0.08366 -0.08516 -0.06740
|
|
170 5PX 0.02162 0.18608 0.15168 0.36947 0.21054
|
|
171 5PY -0.05918 0.26425 -0.29874 -0.02265 0.49443
|
|
172 5PZ -0.08941 -0.15201 -0.41466 -0.22425 -0.57896
|
|
173 6PX 0.60949 -0.64320 0.13102 -1.16469 0.86673
|
|
174 6PY -0.42219 -1.75158 -0.96226 -0.52913 -0.15464
|
|
175 6PZ 0.09513 0.10583 1.38475 -0.58448 -0.65135
|
|
176 7PX 0.08883 -0.26553 0.13472 -0.65773 0.20392
|
|
177 7PY 0.03016 -0.29227 -0.40880 -0.30087 -0.24560
|
|
178 7PZ -0.11730 0.13164 0.59126 -0.21548 0.10198
|
|
179 8D 0 -0.02171 -0.27215 0.04858 -0.57260 -0.14459
|
|
180 8D+1 0.40499 -0.23436 0.18013 -0.05970 0.41939
|
|
181 8D-1 -0.35614 -0.47283 -0.70753 -0.24919 0.48290
|
|
182 8D+2 -0.41762 -0.22929 -0.49704 0.02413 0.02490
|
|
183 8D-2 0.06831 0.27418 0.34600 0.09104 -0.23863
|
|
184 9D 0 0.07867 -0.20492 0.30956 -0.15245 0.18921
|
|
185 9D+1 -0.00522 -0.13033 -0.15582 -0.39904 -0.23947
|
|
186 9D-1 0.06499 -0.24251 -0.09213 -0.15840 -0.34466
|
|
187 9D+2 -0.18836 -0.16357 -0.13526 0.07273 -0.29122
|
|
188 9D-2 -0.05719 0.09364 0.07232 0.12936 0.20245
|
|
181 182 183 184 185
|
|
V V V V V
|
|
Eigenvalues -- 5.60122 5.94632 6.04701 6.06058 6.60711
|
|
1 1 C 1S 0.00000 0.01044 0.00324 0.00000 0.00000
|
|
2 2S 0.00000 1.09377 0.11130 0.00000 0.00000
|
|
3 3S 0.00000 1.02452 0.14638 0.00000 0.00000
|
|
4 4S 0.00000 14.16917 -1.10759 0.00000 0.00000
|
|
5 5S 0.00000 3.02988 0.00699 0.00000 0.00000
|
|
6 6PX 0.00000 -0.00994 0.32614 0.00000 0.00000
|
|
7 6PY 0.00000 0.04946 0.02851 0.00000 0.00000
|
|
8 6PZ -0.01603 0.00000 0.00000 0.29370 0.21471
|
|
9 7PX 0.00000 -0.40125 3.20164 0.00000 0.00000
|
|
10 7PY 0.00000 2.17572 0.27704 0.00000 0.00000
|
|
11 7PZ 0.17736 0.00000 0.00000 3.21883 -11.09345
|
|
12 8PX 0.00000 0.72378 0.50256 0.00000 0.00000
|
|
13 8PY 0.00000 0.21072 0.34348 0.00000 0.00000
|
|
14 8PZ 0.13135 0.00000 0.00000 0.71108 -8.89118
|
|
15 9PX 0.00000 0.04083 0.09101 0.00000 0.00000
|
|
16 9PY 0.00000 -0.20157 0.06311 0.00000 0.00000
|
|
17 9PZ -0.02672 0.00000 0.00000 0.07201 -0.56824
|
|
18 10D 0 0.00000 0.02533 0.03093 0.00000 0.00000
|
|
19 10D+1 0.00705 0.00000 0.00000 -0.03470 -1.41097
|
|
20 10D-1 -0.03490 0.00000 0.00000 0.35993 -1.14079
|
|
21 10D+2 0.00000 0.03815 -0.07500 0.00000 0.00000
|
|
22 10D-2 0.00000 -0.03691 0.36363 0.00000 0.00000
|
|
23 11D 0 0.00000 -0.45282 -2.43202 0.00000 0.00000
|
|
24 11D+1 0.18534 0.00000 0.00000 -3.05483 -3.79791
|
|
25 11D-1 0.00437 0.00000 0.00000 0.47038 -3.10161
|
|
26 11D+2 0.00000 -1.35858 1.20078 0.00000 0.00000
|
|
27 11D-2 0.00000 -0.23374 0.57672 0.00000 0.00000
|
|
28 12D 0 0.00000 0.19345 -0.57488 0.00000 0.00000
|
|
29 12D+1 0.13863 0.00000 0.00000 -0.48169 -1.92028
|
|
30 12D-1 -0.06484 0.00000 0.00000 -0.00457 -0.81754
|
|
31 12D+2 0.00000 -0.50243 0.34678 0.00000 0.00000
|
|
32 12D-2 0.00000 -0.20099 -0.00470 0.00000 0.00000
|
|
33 13F 0 1.30250 0.00000 0.00000 -0.04488 -0.24419
|
|
34 13F+1 0.00000 -1.09334 -0.02086 0.00000 0.00000
|
|
35 13F-1 0.00000 -0.22805 -0.79338 0.00000 0.00000
|
|
36 13F+2 -0.87750 0.00000 0.00000 0.05514 -0.13821
|
|
37 13F-2 -0.15729 0.00000 0.00000 -0.96177 -0.85226
|
|
38 13F+3 0.00000 0.41105 -0.13033 0.00000 0.00000
|
|
39 13F-3 0.00000 -0.17315 0.54400 0.00000 0.00000
|
|
40 14F 0 -0.85681 0.00000 0.00000 -0.29376 0.09993
|
|
41 14F+1 0.00000 -0.04899 -0.15589 0.00000 0.00000
|
|
42 14F-1 0.00000 0.69498 -0.65687 0.00000 0.00000
|
|
43 14F+2 0.60797 0.00000 0.00000 -0.32677 0.10392
|
|
44 14F-2 0.15862 0.00000 0.00000 -0.87298 -0.06313
|
|
45 14F+3 0.00000 -0.18273 -0.59225 0.00000 0.00000
|
|
46 14F-3 0.00000 0.78650 0.37698 0.00000 0.00000
|
|
47 2 S 1S 0.00000 0.00887 -0.00276 0.00000 0.00000
|
|
48 2S 0.00000 0.34941 -0.09074 0.00000 0.00000
|
|
49 3S 0.00000 0.60888 -0.18299 0.00000 0.00000
|
|
50 4S 0.00000 -0.63948 0.08925 0.00000 0.00000
|
|
51 5S 0.00000 -0.30395 0.32302 0.00000 0.00000
|
|
52 6S 0.00000 -1.16141 0.10268 0.00000 0.00000
|
|
53 7PX 0.00000 0.05559 -0.02876 0.00000 0.00000
|
|
54 7PY 0.00000 -0.01643 -0.00169 0.00000 0.00000
|
|
55 7PZ 0.00032 0.00000 0.00000 -0.01892 0.01701
|
|
56 8PX 0.00000 1.69344 -0.41385 0.00000 0.00000
|
|
57 8PY 0.00000 -1.17348 0.04480 0.00000 0.00000
|
|
58 8PZ 0.00575 0.00000 0.00000 -0.26294 0.13691
|
|
59 9PX 0.00000 -0.16529 0.10714 0.00000 0.00000
|
|
60 9PY 0.00000 -0.05813 0.00418 0.00000 0.00000
|
|
61 9PZ -0.00437 0.00000 0.00000 0.07529 -0.07248
|
|
62 10PX 0.00000 0.38030 0.09126 0.00000 0.00000
|
|
63 10PY 0.00000 -1.19942 0.48383 0.00000 0.00000
|
|
64 10PZ -0.19091 0.00000 0.00000 0.10156 0.24054
|
|
65 11PX 0.00000 0.01763 -0.02783 0.00000 0.00000
|
|
66 11PY 0.00000 -0.25901 0.07687 0.00000 0.00000
|
|
67 11PZ -0.02350 0.00000 0.00000 0.00936 -0.02831
|
|
68 12D 0 0.00000 -0.30218 -0.05233 0.00000 0.00000
|
|
69 12D+1 0.02744 0.00000 0.00000 -0.04622 0.09167
|
|
70 12D-1 -0.02573 0.00000 0.00000 -0.18731 0.16813
|
|
71 12D+2 0.00000 1.02887 -0.07136 0.00000 0.00000
|
|
72 12D-2 0.00000 -0.23370 -0.26010 0.00000 0.00000
|
|
73 13D 0 0.00000 -0.06483 -0.00221 0.00000 0.00000
|
|
74 13D+1 -0.00243 0.00000 0.00000 -0.00154 -0.00588
|
|
75 13D-1 0.00585 0.00000 0.00000 -0.03403 -0.03089
|
|
76 13D+2 0.00000 0.30572 -0.00088 0.00000 0.00000
|
|
77 13D-2 0.00000 -0.05250 -0.03418 0.00000 0.00000
|
|
78 14D 0 0.00000 0.10900 0.04003 0.00000 0.00000
|
|
79 14D+1 -0.11168 0.00000 0.00000 0.04978 0.18673
|
|
80 14D-1 -0.02508 0.00000 0.00000 0.09064 0.07759
|
|
81 14D+2 0.00000 0.22091 -0.15963 0.00000 0.00000
|
|
82 14D-2 0.00000 -0.06656 0.23419 0.00000 0.00000
|
|
83 15F 0 -0.02025 0.00000 0.00000 0.06743 -0.00557
|
|
84 15F+1 0.00000 -0.12482 0.03907 0.00000 0.00000
|
|
85 15F-1 0.00000 -0.02408 -0.03011 0.00000 0.00000
|
|
86 15F+2 0.01131 0.00000 0.00000 0.08976 -0.02854
|
|
87 15F-2 -0.01678 0.00000 0.00000 -0.02891 0.04147
|
|
88 15F+3 0.00000 0.21445 0.13801 0.00000 0.00000
|
|
89 15F-3 0.00000 -0.06375 0.00048 0.00000 0.00000
|
|
90 16F 0 0.04624 0.00000 0.00000 -0.00506 -0.03090
|
|
91 16F+1 0.00000 -0.05978 -0.00799 0.00000 0.00000
|
|
92 16F-1 0.00000 0.01615 0.01315 0.00000 0.00000
|
|
93 16F+2 -0.01477 0.00000 0.00000 -0.01588 -0.02876
|
|
94 16F-2 0.02724 0.00000 0.00000 -0.00928 0.09351
|
|
95 16F+3 0.00000 0.14297 -0.02910 0.00000 0.00000
|
|
96 16F-3 0.00000 0.07539 -0.04625 0.00000 0.00000
|
|
97 3 H 1S 0.00000 0.32955 -0.00222 0.00000 0.00000
|
|
98 2S 0.00000 -2.38281 0.04807 0.00000 0.00000
|
|
99 3S 0.00000 -1.14607 0.21361 0.00000 0.00000
|
|
100 4S 0.00000 -0.12314 0.07440 0.00000 0.00000
|
|
101 5PX 0.00000 -0.07375 0.01203 0.00000 0.00000
|
|
102 5PY 0.00000 0.07848 0.01428 0.00000 0.00000
|
|
103 5PZ 0.00049 0.00000 0.00000 -0.00224 -0.03720
|
|
104 6PX 0.00000 1.54995 -0.05562 0.00000 0.00000
|
|
105 6PY 0.00000 -0.39719 0.03374 0.00000 0.00000
|
|
106 6PZ -0.00810 0.00000 0.00000 0.00164 0.05943
|
|
107 7PX 0.00000 0.48119 -0.11005 0.00000 0.00000
|
|
108 7PY 0.00000 -0.09518 -0.15684 0.00000 0.00000
|
|
109 7PZ 0.15999 0.00000 0.00000 0.01614 -0.01319
|
|
110 8D 0 0.00000 0.19866 0.00112 0.00000 0.00000
|
|
111 8D+1 0.03282 0.00000 0.00000 -0.00209 -0.00696
|
|
112 8D-1 -0.01977 0.00000 0.00000 -0.00991 -0.01576
|
|
113 8D+2 0.00000 -0.26649 -0.00375 0.00000 0.00000
|
|
114 8D-2 0.00000 0.10922 0.00128 0.00000 0.00000
|
|
115 9D 0 0.00000 0.15022 -0.01159 0.00000 0.00000
|
|
116 9D+1 -0.03230 0.00000 0.00000 0.00820 -0.01926
|
|
117 9D-1 -0.00622 0.00000 0.00000 0.02800 0.08706
|
|
118 9D+2 0.00000 -0.22620 0.04584 0.00000 0.00000
|
|
119 9D-2 0.00000 0.14271 -0.00103 0.00000 0.00000
|
|
120 4 H 1S 0.00000 0.98347 -1.14522 0.00000 0.00000
|
|
121 2S 0.00000 -2.79838 1.52967 0.00000 0.00000
|
|
122 3S 0.00000 -2.08510 2.21522 0.00000 0.00000
|
|
123 4S 0.00000 -0.15207 0.19499 0.00000 0.00000
|
|
124 5PX 0.00000 0.48360 -0.61612 0.00000 0.00000
|
|
125 5PY 0.00000 -0.31900 -0.03987 0.00000 0.00000
|
|
126 5PZ 0.75063 0.00000 0.00000 -0.21449 -0.05543
|
|
127 6PX 0.00000 -1.92242 2.60427 0.00000 0.00000
|
|
128 6PY 0.00000 -0.34874 -0.26572 0.00000 0.00000
|
|
129 6PZ -0.64000 0.00000 0.00000 -2.14248 0.02841
|
|
130 7PX 0.00000 -0.70018 1.18296 0.00000 0.00000
|
|
131 7PY 0.00000 -0.05787 -0.23870 0.00000 0.00000
|
|
132 7PZ -0.24922 0.00000 0.00000 -0.27049 -0.45577
|
|
133 8D 0 0.00000 0.09921 -0.24192 0.00000 0.00000
|
|
134 8D+1 0.50319 0.00000 0.00000 -1.04812 -0.04188
|
|
135 8D-1 -0.36116 0.00000 0.00000 0.00014 0.02256
|
|
136 8D+2 0.00000 -0.66707 0.52068 0.00000 0.00000
|
|
137 8D-2 0.00000 -0.17741 -0.32234 0.00000 0.00000
|
|
138 9D 0 0.00000 0.05905 -0.33476 0.00000 0.00000
|
|
139 9D+1 -0.19672 0.00000 0.00000 -0.44979 0.00332
|
|
140 9D-1 0.29597 0.00000 0.00000 0.03569 0.28198
|
|
141 9D+2 0.00000 -0.24313 0.53351 0.00000 0.00000
|
|
142 9D-2 0.00000 0.01395 -0.16174 0.00000 0.00000
|
|
143 5 H 1S -0.01030 0.91166 0.66962 1.00536 -0.07059
|
|
144 2S -0.22260 -2.93167 -0.53047 -1.10482 11.52870
|
|
145 3S -0.26083 -3.63663 -1.07952 -2.10868 9.76075
|
|
146 4S 0.02553 -0.15594 -0.14381 -0.16421 0.61030
|
|
147 5PX 0.68488 -0.15370 -0.34540 -0.17869 -0.42813
|
|
148 5PY 0.09666 -0.30328 -0.04924 -0.02986 -0.33076
|
|
149 5PZ -0.40608 -0.38644 -0.25858 -0.53167 -0.83432
|
|
150 6PX -0.65194 0.95581 -0.81561 2.07711 -2.38134
|
|
151 6PY -0.00888 -0.18061 0.10903 0.33236 -1.96226
|
|
152 6PZ 0.47892 1.43680 2.06899 1.36662 -4.48962
|
|
153 7PX -0.34997 0.55713 0.02818 0.61343 -0.73431
|
|
154 7PY 0.01414 0.28292 0.09404 0.23284 -0.85033
|
|
155 7PZ 0.27457 0.62456 0.65695 0.81495 -1.91710
|
|
156 8D 0 0.37249 -0.34208 -0.83602 0.08362 0.66617
|
|
157 8D+1 -0.23847 -0.34399 0.22968 -0.60408 0.80133
|
|
158 8D-1 0.13500 0.03613 -0.17261 -0.25872 0.66098
|
|
159 8D+2 -0.11600 -0.34656 0.28084 -0.36135 0.05031
|
|
160 8D-2 -0.40541 -0.02625 -0.01534 -0.21455 0.34040
|
|
161 9D 0 -0.18748 -0.10670 -0.48689 -0.17838 0.29573
|
|
162 9D+1 0.11507 -0.12165 -0.08201 -0.52723 0.44262
|
|
163 9D-1 -0.14172 0.02996 -0.13809 -0.16405 0.30307
|
|
164 9D+2 0.05733 -0.09135 0.08697 -0.18731 -0.01229
|
|
165 9D-2 0.28112 0.00674 -0.00470 -0.14414 -0.02413
|
|
166 6 H 1S 0.01030 0.91166 0.66962 -1.00536 0.07059
|
|
167 2S 0.22260 -2.93167 -0.53047 1.10482 -11.52870
|
|
168 3S 0.26083 -3.63663 -1.07952 2.10868 -9.76075
|
|
169 4S -0.02553 -0.15594 -0.14381 0.16421 -0.61030
|
|
170 5PX -0.68488 -0.15370 -0.34540 0.17869 0.42813
|
|
171 5PY -0.09666 -0.30328 -0.04924 0.02986 0.33076
|
|
172 5PZ -0.40608 0.38644 0.25858 -0.53167 -0.83432
|
|
173 6PX 0.65194 0.95581 -0.81561 -2.07711 2.38134
|
|
174 6PY 0.00888 -0.18061 0.10903 -0.33236 1.96226
|
|
175 6PZ 0.47892 -1.43680 -2.06899 1.36662 -4.48962
|
|
176 7PX 0.34997 0.55713 0.02818 -0.61343 0.73431
|
|
177 7PY -0.01414 0.28292 0.09404 -0.23284 0.85033
|
|
178 7PZ 0.27457 -0.62456 -0.65695 0.81495 -1.91710
|
|
179 8D 0 -0.37249 -0.34208 -0.83602 -0.08362 -0.66617
|
|
180 8D+1 -0.23847 0.34399 -0.22968 -0.60408 0.80133
|
|
181 8D-1 0.13500 -0.03613 0.17261 -0.25872 0.66098
|
|
182 8D+2 0.11600 -0.34656 0.28084 0.36135 -0.05031
|
|
183 8D-2 0.40541 -0.02625 -0.01534 0.21455 -0.34040
|
|
184 9D 0 0.18748 -0.10670 -0.48689 0.17838 -0.29573
|
|
185 9D+1 0.11507 0.12165 0.08201 -0.52723 0.44262
|
|
186 9D-1 -0.14172 -0.02996 0.13809 -0.16405 0.30307
|
|
187 9D+2 -0.05733 -0.09135 0.08697 0.18731 0.01229
|
|
188 9D-2 -0.28112 0.00674 -0.00470 0.14414 0.02413
|
|
186 187 188
|
|
V V V
|
|
Eigenvalues -- 6.65043 7.60604 16.86112
|
|
1 1 C 1S -0.00351 -0.02115 2.77032
|
|
2 2S -0.01421 -0.14505 14.59284
|
|
3 3S 0.00565 0.05980 -1.95151
|
|
4 4S 0.25875 1.09925 7.62639
|
|
5 5S -0.17802 1.14408 -1.23919
|
|
6 6PX -0.23966 0.02373 0.00437
|
|
7 6PY 0.01616 -0.08650 -0.15519
|
|
8 6PZ 0.00000 0.00000 0.00000
|
|
9 7PX 11.14843 0.24404 -0.09590
|
|
10 7PY 0.55137 -1.34632 3.89346
|
|
11 7PZ 0.00000 0.00000 0.00000
|
|
12 8PX 9.79444 1.89662 0.48065
|
|
13 8PY 0.47115 -3.41292 3.69078
|
|
14 8PZ 0.00000 0.00000 0.00000
|
|
15 9PX 0.51021 0.03197 0.00120
|
|
16 9PY -0.00462 -0.61241 0.61914
|
|
17 9PZ 0.00000 0.00000 0.00000
|
|
18 10D 0 1.30330 -0.10420 0.20406
|
|
19 10D+1 0.00000 0.00000 0.00000
|
|
20 10D-1 0.00000 0.00000 0.00000
|
|
21 10D+2 -0.87883 -0.26399 0.30716
|
|
22 10D-2 0.94480 0.03831 0.04147
|
|
23 11D 0 3.73228 0.96213 1.53496
|
|
24 11D+1 0.00000 0.00000 0.00000
|
|
25 11D-1 0.00000 0.00000 0.00000
|
|
26 11D+2 -2.65841 1.82056 2.23594
|
|
27 11D-2 2.51147 0.03212 0.36236
|
|
28 12D 0 2.28225 0.69012 0.75072
|
|
29 12D+1 0.00000 0.00000 0.00000
|
|
30 12D-1 0.00000 0.00000 0.00000
|
|
31 12D+2 -1.33860 -1.14907 0.80698
|
|
32 12D-2 0.50018 -0.38398 0.12524
|
|
33 13F 0 0.00000 0.00000 0.00000
|
|
34 13F+1 0.02492 0.15908 0.77901
|
|
35 13F-1 0.69874 -0.12357 0.32871
|
|
36 13F+2 0.00000 0.00000 0.00000
|
|
37 13F-2 0.00000 0.00000 0.00000
|
|
38 13F+3 0.43507 -0.02063 -0.25632
|
|
39 13F-3 -0.44879 -0.16195 0.29878
|
|
40 14F 0 0.00000 0.00000 0.00000
|
|
41 14F+1 -0.07758 0.79264 0.01918
|
|
42 14F-1 0.04608 -0.91278 -0.36279
|
|
43 14F+2 0.00000 0.00000 0.00000
|
|
44 14F-2 0.00000 0.00000 0.00000
|
|
45 14F+3 -0.08309 -0.16943 0.04820
|
|
46 14F-3 -0.03984 -0.77658 -0.45318
|
|
47 2 S 1S -0.00377 0.19677 0.00926
|
|
48 2S -0.08336 4.44589 0.16029
|
|
49 3S -0.19398 10.08523 0.40452
|
|
50 4S 0.08060 -4.81917 -0.29017
|
|
51 5S 0.10699 -3.18451 4.34352
|
|
52 6S 0.03068 -4.45617 2.61512
|
|
53 7PX -0.00815 0.20510 0.01651
|
|
54 7PY -0.00788 0.02816 0.06728
|
|
55 7PZ 0.00000 0.00000 0.00000
|
|
56 8PX -0.18968 5.19543 0.32492
|
|
57 8PY -0.08622 1.35360 1.37058
|
|
58 8PZ 0.00000 0.00000 0.00000
|
|
59 9PX 0.02858 -0.65834 -0.05883
|
|
60 9PY 0.03383 -0.01311 -0.17360
|
|
61 9PZ 0.00000 0.00000 0.00000
|
|
62 10PX -0.42210 -0.79407 -0.09176
|
|
63 10PY -0.34925 -5.54876 2.90376
|
|
64 10PZ 0.00000 0.00000 0.00000
|
|
65 11PX 0.04804 -0.08202 -0.16035
|
|
66 11PY -0.07908 -0.86939 0.48812
|
|
67 11PZ 0.00000 0.00000 0.00000
|
|
68 12D 0 -0.12567 -0.99915 -0.47347
|
|
69 12D+1 0.00000 0.00000 0.00000
|
|
70 12D-1 0.00000 0.00000 0.00000
|
|
71 12D+2 0.24646 2.05607 -0.50569
|
|
72 12D-2 -0.27942 -0.42270 0.17930
|
|
73 13D 0 0.02627 -0.57178 -0.04145
|
|
74 13D+1 0.00000 0.00000 0.00000
|
|
75 13D-1 0.00000 0.00000 0.00000
|
|
76 13D+2 -0.04576 0.18328 -0.04598
|
|
77 13D-2 0.03199 -0.13054 -0.02075
|
|
78 14D 0 -0.21979 1.22079 -0.19905
|
|
79 14D+1 0.00000 0.00000 0.00000
|
|
80 14D-1 0.00000 0.00000 0.00000
|
|
81 14D+2 0.14387 1.04308 -0.53429
|
|
82 14D-2 -0.46951 -0.37651 0.00284
|
|
83 15F 0 0.00000 0.00000 0.00000
|
|
84 15F+1 -0.00215 -0.53571 -0.03638
|
|
85 15F-1 -0.00938 -0.11508 -0.04829
|
|
86 15F+2 0.00000 0.00000 0.00000
|
|
87 15F-2 0.00000 0.00000 0.00000
|
|
88 15F+3 0.02975 0.57623 0.03878
|
|
89 15F-3 0.03932 -0.42362 -0.01857
|
|
90 16F 0 0.00000 0.00000 0.00000
|
|
91 16F+1 -0.01070 0.04536 0.02615
|
|
92 16F-1 -0.10952 0.25916 -0.11862
|
|
93 16F+2 0.00000 0.00000 0.00000
|
|
94 16F-2 0.00000 0.00000 0.00000
|
|
95 16F+3 0.13786 0.21018 -0.05975
|
|
96 16F-3 0.08163 0.51932 -0.04584
|
|
97 3 H 1S -0.04728 0.52016 0.04532
|
|
98 2S -0.15046 -5.30807 -0.29041
|
|
99 3S 0.07667 -0.93289 0.36851
|
|
100 4S -0.05979 -0.25006 0.28907
|
|
101 5PX 0.03504 0.05053 0.00533
|
|
102 5PY -0.00948 -0.00273 0.01989
|
|
103 5PZ 0.00000 0.00000 0.00000
|
|
104 6PX -0.07580 3.98793 0.18460
|
|
105 6PY 0.00035 -0.58415 -0.19384
|
|
106 6PZ 0.00000 0.00000 0.00000
|
|
107 7PX 0.03447 1.29415 -0.01942
|
|
108 7PY 0.44150 0.08672 0.07687
|
|
109 7PZ 0.00000 0.00000 0.00000
|
|
110 8D 0 -0.03797 0.38844 0.02727
|
|
111 8D+1 0.00000 0.00000 0.00000
|
|
112 8D-1 0.00000 0.00000 0.00000
|
|
113 8D+2 0.00838 -0.72953 -0.00843
|
|
114 8D-2 -0.01534 0.16350 0.05685
|
|
115 9D 0 -0.03943 0.55363 0.01529
|
|
116 9D+1 0.00000 0.00000 0.00000
|
|
117 9D-1 0.00000 0.00000 0.00000
|
|
118 9D+2 0.02628 -0.96956 -0.00679
|
|
119 9D-2 -0.07091 0.40774 0.05455
|
|
120 4 H 1S -0.08397 -0.28598 -0.00244
|
|
121 2S 13.91534 0.39163 -4.92705
|
|
122 3S 12.71381 4.73493 -2.46026
|
|
123 4S 0.66135 0.11978 -0.19311
|
|
124 5PX 1.13605 -0.01283 -0.36317
|
|
125 5PY -0.29058 -0.02317 0.07653
|
|
126 5PZ 0.00000 0.00000 0.00000
|
|
127 6PX 6.16319 0.70442 -3.10720
|
|
128 6PY -1.88423 0.81223 1.28028
|
|
129 6PZ 0.00000 0.00000 0.00000
|
|
130 7PX 2.65915 0.63372 -1.17059
|
|
131 7PY -0.77806 -0.65612 0.80459
|
|
132 7PZ 0.00000 0.00000 0.00000
|
|
133 8D 0 -0.77088 -0.04738 0.29786
|
|
134 8D+1 0.00000 0.00000 0.00000
|
|
135 8D-1 0.00000 0.00000 0.00000
|
|
136 8D+2 1.05896 0.25036 -0.43492
|
|
137 8D-2 -0.69722 0.09425 0.30241
|
|
138 9D 0 -0.44683 0.14827 0.38621
|
|
139 9D+1 0.00000 0.00000 0.00000
|
|
140 9D-1 0.00000 0.00000 0.00000
|
|
141 9D+2 0.49717 0.19127 -0.50585
|
|
142 9D-2 -0.21074 0.14472 0.59120
|
|
143 5 H 1S 0.05579 -0.11633 0.02492
|
|
144 2S -6.81416 0.01879 -5.54288
|
|
145 3S -6.44908 0.52612 -4.02533
|
|
146 4S -0.27933 0.24309 -0.23180
|
|
147 5PX 0.29273 0.03268 0.17409
|
|
148 5PY 0.20018 -0.01714 0.11853
|
|
149 5PZ 0.45678 0.02755 0.32203
|
|
150 6PX 1.45966 -0.52403 1.49736
|
|
151 6PY 1.15492 0.98400 1.62857
|
|
152 6PZ 2.59282 -0.49592 2.82778
|
|
153 7PX 1.20999 0.48848 0.77311
|
|
154 7PY 0.69903 -0.07725 0.99764
|
|
155 7PZ 0.81566 -0.36447 1.24738
|
|
156 8D 0 -0.34491 0.14817 -0.31406
|
|
157 8D+1 -0.49383 0.12889 -0.38119
|
|
158 8D-1 -0.37045 -0.09672 -0.34548
|
|
159 8D+2 -0.04937 0.17500 -0.01781
|
|
160 8D-2 -0.22568 -0.03443 -0.18551
|
|
161 9D 0 -0.16936 0.06083 -0.35984
|
|
162 9D+1 -0.27172 -0.03646 -0.47042
|
|
163 9D-1 0.00386 -0.05056 -0.57216
|
|
164 9D+2 0.04463 0.27580 0.02070
|
|
165 9D-2 -0.30708 -0.07236 -0.33419
|
|
166 6 H 1S 0.05579 -0.11633 0.02492
|
|
167 2S -6.81416 0.01879 -5.54288
|
|
168 3S -6.44908 0.52612 -4.02533
|
|
169 4S -0.27933 0.24309 -0.23180
|
|
170 5PX 0.29273 0.03268 0.17409
|
|
171 5PY 0.20018 -0.01714 0.11853
|
|
172 5PZ -0.45678 -0.02755 -0.32203
|
|
173 6PX 1.45966 -0.52403 1.49736
|
|
174 6PY 1.15492 0.98400 1.62857
|
|
175 6PZ -2.59282 0.49592 -2.82778
|
|
176 7PX 1.20999 0.48848 0.77311
|
|
177 7PY 0.69903 -0.07725 0.99764
|
|
178 7PZ -0.81566 0.36447 -1.24738
|
|
179 8D 0 -0.34491 0.14817 -0.31406
|
|
180 8D+1 0.49383 -0.12889 0.38119
|
|
181 8D-1 0.37045 0.09672 0.34548
|
|
182 8D+2 -0.04937 0.17500 -0.01781
|
|
183 8D-2 -0.22568 -0.03443 -0.18551
|
|
184 9D 0 -0.16936 0.06083 -0.35984
|
|
185 9D+1 0.27172 0.03646 0.47042
|
|
186 9D-1 -0.00386 0.05056 0.57216
|
|
187 9D+2 0.04463 0.27580 0.02070
|
|
188 9D-2 -0.30708 -0.07236 -0.33419
|
|
Alpha Density Matrix:
|
|
1 2 3 4 5
|
|
1 1 C 1S 0.98968
|
|
2 2S -0.08351 0.19609
|
|
3 3S 0.02417 0.04166 0.01070
|
|
4 4S -0.02765 0.07835 0.01722 0.05484
|
|
5 5S 0.00233 -0.00840 -0.00187 -0.00338 0.00085
|
|
6 6PX -0.00010 0.00052 0.00028 -0.00623 -0.00259
|
|
7 6PY -0.00399 0.00788 0.00215 0.03164 0.00019
|
|
8 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
9 7PX 0.00018 0.00000 0.00023 -0.00824 -0.00336
|
|
10 7PY -0.00042 0.00741 0.00239 0.04238 0.00039
|
|
11 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
12 8PX -0.00071 0.00182 0.00061 -0.00360 -0.00271
|
|
13 8PY 0.00007 0.01110 0.00300 0.02938 0.00043
|
|
14 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
15 9PX -0.00010 0.00044 0.00010 -0.00059 -0.00017
|
|
16 9PY -0.00002 0.00183 0.00047 0.00332 -0.00011
|
|
17 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
18 10D 0 -0.00018 0.00078 0.00021 0.00123 -0.00018
|
|
19 10D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
20 10D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
21 10D+2 -0.00024 0.00110 0.00027 0.00273 0.00004
|
|
22 10D-2 -0.00007 0.00025 0.00006 -0.00014 -0.00008
|
|
23 11D 0 0.00113 0.00030 0.00022 0.00382 -0.00033
|
|
24 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
25 11D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
26 11D+2 0.00132 0.00120 0.00044 0.00789 0.00015
|
|
27 11D-2 0.00011 0.00047 0.00013 0.00010 -0.00007
|
|
28 12D 0 0.00037 0.00024 0.00014 0.00221 -0.00022
|
|
29 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
30 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
31 12D+2 0.00014 0.00262 0.00062 0.00265 0.00007
|
|
32 12D-2 -0.00005 -0.00004 0.00002 0.00121 -0.00023
|
|
33 13F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
34 13F+1 -0.00006 0.00199 0.00046 0.00103 -0.00007
|
|
35 13F-1 -0.00043 0.00182 0.00040 0.00028 -0.00008
|
|
36 13F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
37 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
38 13F+3 0.00006 -0.00076 -0.00018 -0.00043 0.00004
|
|
39 13F-3 -0.00051 0.00198 0.00042 0.00019 -0.00007
|
|
40 14F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
41 14F+1 -0.00042 -0.00013 -0.00002 0.00208 0.00006
|
|
42 14F-1 -0.00082 0.00038 0.00005 0.00002 -0.00005
|
|
43 14F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
44 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
45 14F+3 0.00026 -0.00009 -0.00002 -0.00056 0.00001
|
|
46 14F-3 -0.00056 -0.00088 -0.00024 -0.00051 0.00009
|
|
47 2 S 1S -0.00036 0.00071 0.00012 -0.00809 0.00058
|
|
48 2S 0.00141 -0.00239 -0.00029 0.02806 -0.00282
|
|
49 3S -0.00127 0.00134 -0.00065 -0.03918 0.00999
|
|
50 4S 0.00011 -0.00190 -0.00056 -0.00477 0.00151
|
|
51 5S 0.00712 -0.00269 -0.00066 -0.01700 0.00712
|
|
52 6S 0.00112 0.00684 0.00173 0.00683 -0.00054
|
|
53 7PX 0.00006 -0.00023 -0.00001 -0.00358 0.00041
|
|
54 7PY 0.01042 -0.02733 -0.00647 0.04604 0.00711
|
|
55 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
56 8PX -0.00009 0.00015 0.00003 0.01211 -0.00150
|
|
57 8PY -0.01885 0.05475 0.01115 -0.02015 -0.00583
|
|
58 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
59 9PX -0.00019 0.00048 0.00010 0.00466 -0.00066
|
|
60 9PY -0.00872 0.02113 0.00415 -0.00627 -0.00204
|
|
61 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
62 10PX -0.00111 0.00265 0.00052 0.00569 -0.00129
|
|
63 10PY -0.00435 0.02499 0.00531 -0.00654 -0.00299
|
|
64 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
65 11PX -0.00016 0.00012 0.00000 -0.00074 -0.00007
|
|
66 11PY 0.00019 0.00140 0.00034 0.00123 -0.00026
|
|
67 11PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
68 12D 0 0.00083 -0.00450 -0.00097 -0.00071 0.00031
|
|
69 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
70 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
71 12D+2 0.00260 -0.01089 -0.00233 0.00194 0.00082
|
|
72 12D-2 -0.00007 0.00079 0.00019 -0.00101 -0.00027
|
|
73 13D 0 0.00147 -0.00385 -0.00078 -0.00001 0.00020
|
|
74 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
75 13D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
76 13D+2 0.00329 -0.00864 -0.00178 0.00230 0.00068
|
|
77 13D-2 -0.00025 0.00062 0.00014 -0.00078 -0.00026
|
|
78 14D 0 -0.00008 -0.00120 -0.00029 -0.00070 0.00028
|
|
79 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
80 14D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
81 14D+2 -0.00018 -0.00242 -0.00056 -0.00017 0.00016
|
|
82 14D-2 0.00009 0.00042 0.00008 -0.00039 -0.00001
|
|
83 15F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
84 15F+1 -0.00013 0.00032 0.00007 -0.00020 -0.00005
|
|
85 15F-1 0.00062 -0.00198 -0.00041 0.00044 0.00012
|
|
86 15F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
87 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
88 15F+3 0.00016 -0.00035 -0.00008 0.00024 0.00014
|
|
89 15F-3 0.00060 -0.00192 -0.00040 0.00026 0.00007
|
|
90 16F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
91 16F+1 0.00004 -0.00001 0.00000 -0.00015 0.00002
|
|
92 16F-1 -0.00021 -0.00037 -0.00010 -0.00009 0.00003
|
|
93 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
94 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
95 16F+3 -0.00012 -0.00036 -0.00009 0.00012 0.00003
|
|
96 16F-3 -0.00011 -0.00066 -0.00016 -0.00050 0.00006
|
|
97 3 H 1S 0.00165 -0.00439 -0.00100 0.00251 0.00120
|
|
98 2S 0.00181 -0.00462 -0.00108 0.00475 0.00139
|
|
99 3S 0.00104 -0.00160 -0.00025 0.00785 0.00026
|
|
100 4S 0.00010 0.00047 0.00014 0.00187 -0.00004
|
|
101 5PX -0.00015 0.00043 0.00010 0.00005 -0.00015
|
|
102 5PY -0.00012 0.00035 0.00007 -0.00025 -0.00004
|
|
103 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
104 6PX 0.00012 -0.00031 -0.00004 0.00069 -0.00015
|
|
105 6PY -0.00072 0.00142 0.00028 -0.00051 -0.00016
|
|
106 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
107 7PX -0.00037 0.00023 0.00001 -0.00071 0.00002
|
|
108 7PY -0.00011 -0.00025 -0.00003 0.00111 -0.00008
|
|
109 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
110 8D 0 0.00007 -0.00009 -0.00002 0.00006 -0.00001
|
|
111 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
112 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
113 8D+2 0.00002 -0.00002 -0.00001 -0.00003 0.00003
|
|
114 8D-2 0.00019 -0.00032 -0.00006 0.00016 0.00003
|
|
115 9D 0 0.00005 0.00002 0.00001 -0.00003 0.00001
|
|
116 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
117 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
118 9D+2 0.00019 -0.00004 0.00000 -0.00034 0.00000
|
|
119 9D-2 0.00006 -0.00024 -0.00005 0.00003 0.00004
|
|
120 4 H 1S -0.01465 0.03683 0.00786 0.02573 0.00028
|
|
121 2S -0.01813 0.04511 0.00958 0.02905 0.00047
|
|
122 3S -0.00410 0.00033 0.00004 0.00462 -0.00086
|
|
123 4S -0.00037 0.00053 0.00010 -0.00098 -0.00017
|
|
124 5PX -0.00179 0.00379 0.00080 0.00251 -0.00001
|
|
125 5PY 0.00049 -0.00104 -0.00021 -0.00011 0.00000
|
|
126 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
127 6PX -0.00143 0.00184 0.00036 0.00073 -0.00007
|
|
128 6PY 0.00076 -0.00052 -0.00004 0.00236 0.00002
|
|
129 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
130 7PX 0.00014 -0.00336 -0.00074 -0.00171 -0.00027
|
|
131 7PY 0.00010 0.00175 0.00041 0.00133 -0.00006
|
|
132 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
133 8D 0 0.00032 -0.00045 -0.00009 -0.00021 0.00000
|
|
134 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
135 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
136 8D+2 -0.00038 0.00048 0.00010 0.00057 0.00000
|
|
137 8D-2 0.00032 -0.00041 -0.00007 0.00008 0.00000
|
|
138 9D 0 -0.00028 0.00117 0.00026 0.00064 -0.00002
|
|
139 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
140 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
141 9D+2 0.00046 -0.00162 -0.00035 -0.00033 0.00007
|
|
142 9D-2 -0.00008 0.00099 0.00023 0.00085 -0.00003
|
|
143 5 H 1S -0.01495 0.03790 0.00830 0.02077 -0.00230
|
|
144 2S -0.01913 0.04693 0.01020 0.02148 -0.00292
|
|
145 3S -0.00406 0.00088 -0.00008 -0.00534 0.00044
|
|
146 4S -0.00016 -0.00048 -0.00013 -0.00068 0.00011
|
|
147 5PX 0.00083 -0.00176 -0.00038 -0.00111 0.00006
|
|
148 5PY 0.00064 -0.00137 -0.00029 -0.00021 0.00011
|
|
149 5PZ 0.00156 -0.00332 -0.00072 -0.00184 0.00021
|
|
150 6PX 0.00073 -0.00078 -0.00014 -0.00062 -0.00009
|
|
151 6PY 0.00122 -0.00149 -0.00024 0.00226 0.00014
|
|
152 6PZ 0.00152 -0.00196 -0.00039 -0.00053 0.00015
|
|
153 7PX 0.00001 0.00111 0.00029 0.00194 -0.00011
|
|
154 7PY 0.00021 0.00208 0.00051 0.00144 -0.00019
|
|
155 7PZ -0.00029 0.00336 0.00080 0.00297 -0.00027
|
|
156 8D 0 -0.00028 0.00037 0.00008 0.00034 -0.00003
|
|
157 8D+1 -0.00037 0.00051 0.00010 0.00036 -0.00002
|
|
158 8D-1 -0.00036 0.00048 0.00009 -0.00002 -0.00004
|
|
159 8D+2 0.00003 -0.00007 -0.00001 0.00022 0.00002
|
|
160 8D-2 -0.00019 0.00025 0.00005 0.00001 -0.00001
|
|
161 9D 0 0.00031 -0.00104 -0.00022 -0.00025 0.00004
|
|
162 9D+1 0.00034 -0.00139 -0.00031 -0.00056 0.00007
|
|
163 9D-1 0.00007 -0.00090 -0.00021 -0.00072 0.00004
|
|
164 9D+2 0.00010 -0.00009 -0.00001 0.00040 0.00002
|
|
165 9D-2 0.00001 -0.00037 -0.00009 -0.00039 0.00002
|
|
166 6 H 1S -0.01495 0.03790 0.00830 0.02077 -0.00230
|
|
167 2S -0.01913 0.04693 0.01020 0.02148 -0.00292
|
|
168 3S -0.00406 0.00088 -0.00008 -0.00534 0.00044
|
|
169 4S -0.00016 -0.00048 -0.00013 -0.00068 0.00011
|
|
170 5PX 0.00083 -0.00176 -0.00038 -0.00111 0.00006
|
|
171 5PY 0.00064 -0.00137 -0.00029 -0.00021 0.00011
|
|
172 5PZ -0.00156 0.00332 0.00072 0.00184 -0.00021
|
|
173 6PX 0.00073 -0.00078 -0.00014 -0.00062 -0.00009
|
|
174 6PY 0.00122 -0.00149 -0.00024 0.00226 0.00014
|
|
175 6PZ -0.00152 0.00196 0.00039 0.00053 -0.00015
|
|
176 7PX 0.00001 0.00111 0.00029 0.00194 -0.00011
|
|
177 7PY 0.00021 0.00208 0.00051 0.00144 -0.00019
|
|
178 7PZ 0.00029 -0.00336 -0.00080 -0.00297 0.00027
|
|
179 8D 0 -0.00028 0.00037 0.00008 0.00034 -0.00003
|
|
180 8D+1 0.00037 -0.00051 -0.00010 -0.00036 0.00002
|
|
181 8D-1 0.00036 -0.00048 -0.00009 0.00002 0.00004
|
|
182 8D+2 0.00003 -0.00007 -0.00001 0.00022 0.00002
|
|
183 8D-2 -0.00019 0.00025 0.00005 0.00001 -0.00001
|
|
184 9D 0 0.00031 -0.00104 -0.00022 -0.00025 0.00004
|
|
185 9D+1 -0.00034 0.00139 0.00031 0.00056 -0.00007
|
|
186 9D-1 -0.00007 0.00090 0.00021 0.00072 -0.00004
|
|
187 9D+2 0.00010 -0.00009 -0.00001 0.00040 0.00002
|
|
188 9D-2 0.00001 -0.00037 -0.00009 -0.00039 0.00002
|
|
6 7 8 9 10
|
|
6 6PX 0.05760
|
|
7 6PY 0.00043 0.04360
|
|
8 6PZ 0.00000 0.00000 0.05803
|
|
9 7PX 0.07614 0.00103 0.00000 0.10066
|
|
10 7PY 0.00005 0.06004 0.00000 0.00070 0.08275
|
|
11 7PZ 0.00000 0.00000 0.07681 0.00000 0.00000
|
|
12 8PX 0.05950 0.00434 0.00000 0.07867 0.00543
|
|
13 8PY -0.00028 0.03991 0.00000 0.00008 0.05487
|
|
14 8PZ 0.00000 0.00000 0.05562 0.00000 0.00000
|
|
15 9PX 0.00296 -0.00053 0.00000 0.00390 -0.00076
|
|
16 9PY 0.00010 0.00367 0.00000 0.00016 0.00505
|
|
17 9PZ 0.00000 0.00000 0.00346 0.00000 0.00000
|
|
18 10D 0 0.00315 0.00192 0.00000 0.00418 0.00261
|
|
19 10D+1 0.00000 0.00000 0.00352 0.00000 0.00000
|
|
20 10D-1 0.00000 0.00000 0.00291 0.00000 0.00000
|
|
21 10D+2 -0.00237 0.00286 0.00000 -0.00311 0.00395
|
|
22 10D-2 0.00221 0.00027 0.00000 0.00292 0.00034
|
|
23 11D 0 0.00729 0.00668 0.00000 0.00969 0.00916
|
|
24 11D+1 0.00000 0.00000 0.00802 0.00000 0.00000
|
|
25 11D-1 0.00000 0.00000 0.00450 0.00000 0.00000
|
|
26 11D+2 -0.00604 0.00938 0.00000 -0.00790 0.01301
|
|
27 11D-2 0.00235 0.00090 0.00000 0.00310 0.00123
|
|
28 12D 0 0.00633 0.00440 0.00000 0.00842 0.00600
|
|
29 12D+1 0.00000 0.00000 0.00495 0.00000 0.00000
|
|
30 12D-1 0.00000 0.00000 0.00445 0.00000 0.00000
|
|
31 12D+2 -0.00419 0.00168 0.00000 -0.00552 0.00231
|
|
32 12D-2 0.00286 0.00177 0.00000 0.00380 0.00242
|
|
33 13F 0 0.00000 0.00000 -0.00011 0.00000 0.00000
|
|
34 13F+1 -0.00012 0.00043 0.00000 -0.00016 0.00056
|
|
35 13F-1 0.00027 -0.00051 0.00000 0.00034 -0.00073
|
|
36 13F+2 0.00000 0.00000 -0.00016 0.00000 0.00000
|
|
37 13F-2 0.00000 0.00000 0.00037 0.00000 0.00000
|
|
38 13F+3 -0.00008 -0.00013 0.00000 -0.00011 -0.00017
|
|
39 13F-3 -0.00010 -0.00076 0.00000 -0.00014 -0.00109
|
|
40 14F 0 0.00000 0.00000 -0.00031 0.00000 0.00000
|
|
41 14F+1 -0.00089 0.00281 0.00000 -0.00115 0.00389
|
|
42 14F-1 0.00041 -0.00015 0.00000 0.00054 -0.00022
|
|
43 14F+2 0.00000 0.00000 0.00030 0.00000 0.00000
|
|
44 14F-2 0.00000 0.00000 0.00086 0.00000 0.00000
|
|
45 14F+3 0.00044 -0.00051 0.00000 0.00058 -0.00071
|
|
46 14F-3 -0.00046 -0.00030 0.00000 -0.00061 -0.00041
|
|
47 2 S 1S 0.00040 -0.00286 0.00000 0.00064 -0.00392
|
|
48 2S -0.00163 0.01078 0.00000 -0.00255 0.01492
|
|
49 3S 0.00309 -0.01977 0.00000 0.00476 -0.02849
|
|
50 4S 0.00056 -0.00180 0.00000 0.00082 -0.00263
|
|
51 5S 0.00481 0.00644 0.00000 0.00699 0.00821
|
|
52 6S 0.00292 0.00677 0.00000 0.00388 0.00925
|
|
53 7PX 0.00024 0.00005 0.00000 -0.00071 0.00107
|
|
54 7PY -0.00070 0.03429 0.00000 -0.00050 0.04625
|
|
55 7PZ 0.00000 0.00000 0.00162 0.00000 0.00000
|
|
56 8PX -0.00158 0.00089 0.00000 -0.00173 0.00097
|
|
57 8PY 0.00163 -0.07077 0.00000 0.00098 -0.09839
|
|
58 8PZ 0.00000 0.00000 -0.00463 0.00000 0.00000
|
|
59 9PX -0.00073 -0.00050 0.00000 -0.00089 -0.00074
|
|
60 9PY 0.00056 -0.02931 0.00000 0.00025 -0.04083
|
|
61 9PZ 0.00000 0.00000 -0.00215 0.00000 0.00000
|
|
62 10PX -0.00692 -0.00518 0.00000 -0.00909 -0.00720
|
|
63 10PY -0.00023 -0.03059 0.00000 -0.00082 -0.04250
|
|
64 10PZ 0.00000 0.00000 -0.01214 0.00000 0.00000
|
|
65 11PX -0.00062 -0.00162 0.00000 -0.00085 -0.00223
|
|
66 11PY -0.00018 0.00006 0.00000 -0.00025 0.00008
|
|
67 11PZ 0.00000 0.00000 -0.00259 0.00000 0.00000
|
|
68 12D 0 0.00091 0.00271 0.00000 0.00122 0.00381
|
|
69 12D+1 0.00000 0.00000 0.00020 0.00000 0.00000
|
|
70 12D-1 0.00000 0.00000 0.00389 0.00000 0.00000
|
|
71 12D+2 -0.00149 0.00814 0.00000 -0.00177 0.01136
|
|
72 12D-2 0.00446 -0.00098 0.00000 0.00587 -0.00139
|
|
73 13D 0 0.00080 0.00318 0.00000 0.00108 0.00448
|
|
74 13D+1 0.00000 0.00000 0.00008 0.00000 0.00000
|
|
75 13D-1 0.00000 0.00000 0.00346 0.00000 0.00000
|
|
76 13D+2 -0.00136 0.00763 0.00000 -0.00162 0.01064
|
|
77 13D-2 0.00394 -0.00084 0.00000 0.00518 -0.00119
|
|
78 14D 0 -0.00034 0.00056 0.00000 -0.00042 0.00077
|
|
79 14D+1 0.00000 0.00000 -0.00038 0.00000 0.00000
|
|
80 14D-1 0.00000 0.00000 -0.00093 0.00000 0.00000
|
|
81 14D+2 -0.00032 0.00084 0.00000 -0.00039 0.00118
|
|
82 14D-2 -0.00182 -0.00149 0.00000 -0.00243 -0.00204
|
|
83 15F 0 0.00000 0.00000 -0.00084 0.00000 0.00000
|
|
84 15F+1 -0.00014 -0.00031 0.00000 -0.00021 -0.00042
|
|
85 15F-1 0.00004 0.00185 0.00000 0.00008 0.00258
|
|
86 15F+2 0.00000 0.00000 -0.00120 0.00000 0.00000
|
|
87 15F-2 0.00000 0.00000 0.00019 0.00000 0.00000
|
|
88 15F+3 -0.00176 0.00014 0.00000 -0.00231 0.00020
|
|
89 15F-3 0.00003 0.00149 0.00000 0.00006 0.00210
|
|
90 16F 0 0.00000 0.00000 0.00004 0.00000 0.00000
|
|
91 16F+1 -0.00004 -0.00011 0.00000 -0.00006 -0.00015
|
|
92 16F-1 -0.00006 0.00011 0.00000 -0.00007 0.00015
|
|
93 16F+2 0.00000 0.00000 -0.00002 0.00000 0.00000
|
|
94 16F-2 0.00000 0.00000 0.00012 0.00000 0.00000
|
|
95 16F+3 -0.00004 0.00036 0.00000 -0.00004 0.00050
|
|
96 16F-3 0.00011 -0.00026 0.00000 0.00015 -0.00036
|
|
97 3 H 1S -0.00341 0.00393 0.00000 -0.00417 0.00525
|
|
98 2S -0.00649 0.00444 0.00000 -0.00812 0.00589
|
|
99 3S -0.00482 0.00905 0.00000 -0.00617 0.01249
|
|
100 4S -0.00043 0.00207 0.00000 -0.00055 0.00285
|
|
101 5PX 0.00009 -0.00026 0.00000 0.00008 -0.00034
|
|
102 5PY 0.00015 -0.00067 0.00000 0.00019 -0.00093
|
|
103 5PZ 0.00000 0.00000 -0.00008 0.00000 0.00000
|
|
104 6PX -0.00028 0.00068 0.00000 -0.00039 0.00097
|
|
105 6PY 0.00029 -0.00191 0.00000 0.00035 -0.00267
|
|
106 6PZ 0.00000 0.00000 -0.00034 0.00000 0.00000
|
|
107 7PX -0.00019 -0.00144 0.00000 -0.00025 -0.00201
|
|
108 7PY 0.00182 0.00202 0.00000 0.00242 0.00278
|
|
109 7PZ 0.00000 0.00000 -0.00058 0.00000 0.00000
|
|
110 8D 0 -0.00006 0.00013 0.00000 -0.00008 0.00019
|
|
111 8D+1 0.00000 0.00000 0.00002 0.00000 0.00000
|
|
112 8D-1 0.00000 0.00000 0.00004 0.00000 0.00000
|
|
113 8D+2 0.00004 0.00001 0.00000 0.00006 0.00001
|
|
114 8D-2 -0.00007 0.00045 0.00000 -0.00008 0.00063
|
|
115 9D 0 -0.00008 -0.00008 0.00000 -0.00011 -0.00011
|
|
116 9D+1 0.00000 0.00000 0.00010 0.00000 0.00000
|
|
117 9D-1 0.00000 0.00000 -0.00002 0.00000 0.00000
|
|
118 9D+2 -0.00004 -0.00032 0.00000 -0.00007 -0.00044
|
|
119 9D-2 -0.00030 0.00021 0.00000 -0.00038 0.00029
|
|
120 4 H 1S -0.04039 0.01055 0.00000 -0.05340 0.01429
|
|
121 2S -0.05125 0.00968 0.00000 -0.06779 0.01304
|
|
122 3S 0.01348 0.00748 0.00000 0.01792 0.01019
|
|
123 4S 0.00215 -0.00137 0.00000 0.00282 -0.00192
|
|
124 5PX -0.00311 0.00111 0.00000 -0.00412 0.00149
|
|
125 5PY 0.00129 0.00062 0.00000 0.00171 0.00086
|
|
126 5PZ 0.00000 0.00000 0.00117 0.00000 0.00000
|
|
127 6PX 0.00008 0.00020 0.00000 0.00011 0.00024
|
|
128 6PY 0.00009 0.00366 0.00000 0.00016 0.00507
|
|
129 6PZ 0.00000 0.00000 0.00293 0.00000 0.00000
|
|
130 7PX 0.00732 0.00017 0.00000 0.00969 0.00023
|
|
131 7PY -0.00184 0.00040 0.00000 -0.00244 0.00055
|
|
132 7PZ 0.00000 0.00000 0.00007 0.00000 0.00000
|
|
133 8D 0 0.00033 -0.00002 0.00000 0.00044 -0.00003
|
|
134 8D+1 0.00000 0.00000 0.00049 0.00000 0.00000
|
|
135 8D-1 0.00000 0.00000 -0.00011 0.00000 0.00000
|
|
136 8D+2 -0.00049 0.00049 0.00000 -0.00064 0.00067
|
|
137 8D-2 0.00041 0.00041 0.00000 0.00055 0.00057
|
|
138 9D 0 -0.00037 0.00030 0.00000 -0.00049 0.00040
|
|
139 9D+1 0.00000 0.00000 0.00036 0.00000 0.00000
|
|
140 9D-1 0.00000 0.00000 -0.00009 0.00000 0.00000
|
|
141 9D+2 0.00034 0.00045 0.00000 0.00046 0.00064
|
|
142 9D-2 -0.00051 0.00063 0.00000 -0.00067 0.00087
|
|
143 5 H 1S 0.01885 0.01351 0.03474 0.02491 0.01781
|
|
144 2S 0.02616 0.01177 0.04591 0.03453 0.01518
|
|
145 3S -0.00508 -0.00696 -0.00450 -0.00679 -0.00959
|
|
146 4S -0.00073 -0.00059 -0.00149 -0.00097 -0.00081
|
|
147 5PX 0.00022 -0.00065 -0.00167 0.00030 -0.00087
|
|
148 5PY -0.00079 0.00035 -0.00142 -0.00103 0.00052
|
|
149 5PZ -0.00171 -0.00122 -0.00201 -0.00226 -0.00161
|
|
150 6PX 0.00259 -0.00007 -0.00153 0.00342 -0.00010
|
|
151 6PY -0.00045 0.00412 -0.00046 -0.00054 0.00572
|
|
152 6PZ -0.00162 -0.00006 0.00089 -0.00213 -0.00003
|
|
153 7PX 0.00241 0.00268 0.00233 0.00322 0.00365
|
|
154 7PY 0.00187 0.00111 0.00202 0.00247 0.00148
|
|
155 7PZ 0.00202 0.00251 0.00417 0.00269 0.00339
|
|
156 8D 0 0.00045 0.00038 0.00007 0.00060 0.00052
|
|
157 8D+1 -0.00006 0.00025 0.00046 -0.00008 0.00034
|
|
158 8D-1 0.00032 -0.00025 0.00039 0.00042 -0.00036
|
|
159 8D+2 -0.00020 0.00033 0.00009 -0.00026 0.00046
|
|
160 8D-2 -0.00003 -0.00013 0.00032 -0.00004 -0.00018
|
|
161 9D 0 0.00020 0.00022 -0.00044 0.00027 0.00032
|
|
162 9D+1 -0.00042 -0.00017 -0.00027 -0.00055 -0.00021
|
|
163 9D-1 -0.00011 -0.00062 -0.00041 -0.00015 -0.00085
|
|
164 9D+2 -0.00017 0.00059 0.00021 -0.00022 0.00082
|
|
165 9D-2 -0.00034 -0.00046 -0.00014 -0.00046 -0.00062
|
|
166 6 H 1S 0.01885 0.01351 -0.03474 0.02491 0.01781
|
|
167 2S 0.02616 0.01177 -0.04591 0.03453 0.01518
|
|
168 3S -0.00508 -0.00696 0.00450 -0.00679 -0.00959
|
|
169 4S -0.00073 -0.00059 0.00149 -0.00097 -0.00081
|
|
170 5PX 0.00022 -0.00065 0.00167 0.00030 -0.00087
|
|
171 5PY -0.00079 0.00035 0.00142 -0.00103 0.00052
|
|
172 5PZ 0.00171 0.00122 -0.00201 0.00226 0.00161
|
|
173 6PX 0.00259 -0.00007 0.00153 0.00342 -0.00010
|
|
174 6PY -0.00045 0.00412 0.00046 -0.00054 0.00572
|
|
175 6PZ 0.00162 0.00006 0.00089 0.00213 0.00003
|
|
176 7PX 0.00241 0.00268 -0.00233 0.00322 0.00365
|
|
177 7PY 0.00187 0.00111 -0.00202 0.00247 0.00148
|
|
178 7PZ -0.00202 -0.00251 0.00417 -0.00269 -0.00339
|
|
179 8D 0 0.00045 0.00038 -0.00007 0.00060 0.00052
|
|
180 8D+1 0.00006 -0.00025 0.00046 0.00008 -0.00034
|
|
181 8D-1 -0.00032 0.00025 0.00039 -0.00042 0.00036
|
|
182 8D+2 -0.00020 0.00033 -0.00009 -0.00026 0.00046
|
|
183 8D-2 -0.00003 -0.00013 -0.00032 -0.00004 -0.00018
|
|
184 9D 0 0.00020 0.00022 0.00044 0.00027 0.00032
|
|
185 9D+1 0.00042 0.00017 -0.00027 0.00055 0.00021
|
|
186 9D-1 0.00011 0.00062 -0.00041 0.00015 0.00085
|
|
187 9D+2 -0.00017 0.00059 -0.00021 -0.00022 0.00082
|
|
188 9D-2 -0.00034 -0.00046 0.00014 -0.00046 -0.00062
|
|
11 12 13 14 15
|
|
11 7PZ 0.10169
|
|
12 8PX 0.00000 0.06199
|
|
13 8PY 0.00000 0.00321 0.03723
|
|
14 8PZ 0.07364 0.00000 0.00000 0.05342
|
|
15 9PX 0.00000 0.00308 -0.00056 0.00000 0.00019
|
|
16 9PY 0.00000 0.00039 0.00333 0.00000 -0.00006
|
|
17 9PZ 0.00459 0.00000 0.00000 0.00330 0.00000
|
|
18 10D 0 0.00000 0.00344 0.00169 0.00000 0.00014
|
|
19 10D+1 0.00466 0.00000 0.00000 0.00337 0.00000
|
|
20 10D-1 0.00386 0.00000 0.00000 0.00276 0.00000
|
|
21 10D+2 0.00000 -0.00220 0.00259 0.00000 -0.00016
|
|
22 10D-2 0.00000 0.00237 0.00023 0.00000 0.00014
|
|
23 11D 0 0.00000 0.00815 0.00591 0.00000 0.00031
|
|
24 11D+1 0.01062 0.00000 0.00000 0.00769 0.00000
|
|
25 11D-1 0.00598 0.00000 0.00000 0.00425 0.00000
|
|
26 11D+2 0.00000 -0.00541 0.00843 0.00000 -0.00043
|
|
27 11D-2 0.00000 0.00267 0.00080 0.00000 0.00018
|
|
28 12D 0 0.00000 0.00690 0.00399 0.00000 0.00025
|
|
29 12D+1 0.00655 0.00000 0.00000 0.00479 0.00000
|
|
30 12D-1 0.00589 0.00000 0.00000 0.00429 0.00000
|
|
31 12D+2 0.00000 -0.00418 0.00162 0.00000 -0.00024
|
|
32 12D-2 0.00000 0.00305 0.00145 0.00000 0.00010
|
|
33 13F 0 -0.00014 0.00000 0.00000 -0.00011 0.00000
|
|
34 13F+1 0.00000 -0.00007 0.00043 0.00000 0.00000
|
|
35 13F-1 0.00000 0.00023 -0.00040 0.00000 0.00002
|
|
36 13F+2 -0.00021 0.00000 0.00000 -0.00016 0.00000
|
|
37 13F-2 0.00049 0.00000 0.00000 0.00035 0.00000
|
|
38 13F+3 0.00000 -0.00006 -0.00014 0.00000 0.00001
|
|
39 13F-3 0.00000 -0.00016 -0.00063 0.00000 0.00001
|
|
40 14F 0 -0.00041 0.00000 0.00000 -0.00031 0.00000
|
|
41 14F+1 0.00000 -0.00068 0.00252 0.00000 -0.00008
|
|
42 14F-1 0.00000 0.00043 -0.00017 0.00000 0.00003
|
|
43 14F+2 0.00039 0.00000 0.00000 0.00027 0.00000
|
|
44 14F-2 0.00113 0.00000 0.00000 0.00082 0.00000
|
|
45 14F+3 0.00000 0.00040 -0.00042 0.00000 0.00003
|
|
46 14F-3 0.00000 -0.00053 -0.00025 0.00000 -0.00003
|
|
47 2 S 1S 0.00000 0.00067 -0.00047 0.00000 0.00007
|
|
48 2S 0.00000 -0.00227 0.00208 0.00000 -0.00026
|
|
49 3S 0.00000 0.00096 -0.00502 0.00000 0.00003
|
|
50 4S 0.00000 0.00034 -0.00019 0.00000 0.00003
|
|
51 5S 0.00000 0.00599 0.01447 0.00000 0.00024
|
|
52 6S 0.00000 0.00385 0.00599 0.00000 0.00017
|
|
53 7PX 0.00000 0.00720 -0.00064 0.00000 0.00108
|
|
54 7PY 0.00000 0.00178 0.02760 0.00000 -0.00043
|
|
55 7PZ 0.00263 0.00000 0.00000 0.01009 0.00000
|
|
56 8PX 0.00000 -0.00657 0.00105 0.00000 -0.00224
|
|
57 8PY 0.00000 -0.00466 -0.06628 0.00000 0.00110
|
|
58 8PZ -0.00654 0.00000 0.00000 -0.00295 0.00000
|
|
59 9PX 0.00000 -0.00253 -0.00039 0.00000 -0.00091
|
|
60 9PY 0.00000 -0.00210 -0.02782 0.00000 0.00045
|
|
61 9PZ -0.00299 0.00000 0.00000 -0.00084 0.00000
|
|
62 10PX 0.00000 -0.01010 -0.00524 0.00000 -0.00136
|
|
63 10PY 0.00000 -0.00323 -0.02903 0.00000 0.00033
|
|
64 10PZ -0.01637 0.00000 0.00000 -0.01047 0.00000
|
|
65 11PX 0.00000 -0.00080 -0.00156 0.00000 -0.00001
|
|
66 11PY 0.00000 -0.00025 -0.00013 0.00000 -0.00004
|
|
67 11PZ -0.00345 0.00000 0.00000 -0.00237 0.00000
|
|
68 12D 0 0.00000 0.00148 0.00236 0.00000 0.00014
|
|
69 12D+1 0.00026 0.00000 0.00000 0.00020 0.00000
|
|
70 12D-1 0.00515 0.00000 0.00000 0.00373 0.00000
|
|
71 12D+2 0.00000 -0.00141 0.00764 0.00000 -0.00046
|
|
72 12D-2 0.00000 0.00459 -0.00098 0.00000 0.00028
|
|
73 13D 0 0.00000 0.00142 0.00272 0.00000 0.00013
|
|
74 13D+1 0.00010 0.00000 0.00000 0.00010 0.00000
|
|
75 13D-1 0.00458 0.00000 0.00000 0.00333 0.00000
|
|
76 13D+2 0.00000 -0.00128 0.00722 0.00000 -0.00043
|
|
77 13D-2 0.00000 0.00410 -0.00091 0.00000 0.00026
|
|
78 14D 0 0.00000 -0.00021 0.00070 0.00000 0.00001
|
|
79 14D+1 -0.00051 0.00000 0.00000 -0.00036 0.00000
|
|
80 14D-1 -0.00124 0.00000 0.00000 -0.00087 0.00000
|
|
81 14D+2 0.00000 -0.00039 0.00079 0.00000 -0.00009
|
|
82 14D-2 0.00000 -0.00208 -0.00136 0.00000 -0.00010
|
|
83 15F 0 -0.00110 0.00000 0.00000 -0.00082 0.00000
|
|
84 15F+1 0.00000 -0.00003 -0.00038 0.00000 0.00006
|
|
85 15F-1 0.00000 0.00019 0.00167 0.00000 -0.00003
|
|
86 15F+2 -0.00159 0.00000 0.00000 -0.00115 0.00000
|
|
87 15F-2 0.00025 0.00000 0.00000 0.00018 0.00000
|
|
88 15F+3 0.00000 -0.00193 0.00025 0.00000 -0.00015
|
|
89 15F-3 0.00000 0.00022 0.00125 0.00000 0.00000
|
|
90 16F 0 0.00005 0.00000 0.00000 0.00003 0.00000
|
|
91 16F+1 0.00000 -0.00003 -0.00008 0.00000 0.00001
|
|
92 16F-1 0.00000 -0.00004 0.00009 0.00000 0.00000
|
|
93 16F+2 -0.00003 0.00000 0.00000 -0.00002 0.00000
|
|
94 16F-2 0.00016 0.00000 0.00000 0.00012 0.00000
|
|
95 16F+3 0.00000 -0.00003 0.00034 0.00000 -0.00002
|
|
96 16F-3 0.00000 0.00006 -0.00020 0.00000 0.00000
|
|
97 3 H 1S 0.00000 -0.00541 0.00548 0.00000 -0.00123
|
|
98 2S 0.00000 -0.00974 0.00657 0.00000 -0.00193
|
|
99 3S 0.00000 -0.00525 0.00858 0.00000 -0.00084
|
|
100 4S 0.00000 -0.00035 0.00187 0.00000 -0.00009
|
|
101 5PX 0.00000 0.00024 -0.00045 0.00000 0.00009
|
|
102 5PY 0.00000 0.00006 -0.00060 0.00000 0.00000
|
|
103 5PZ -0.00011 0.00000 0.00000 -0.00006 0.00000
|
|
104 6PX 0.00000 -0.00013 0.00033 0.00000 0.00003
|
|
105 6PY 0.00000 0.00011 -0.00180 0.00000 0.00003
|
|
106 6PZ -0.00047 0.00000 0.00000 -0.00027 0.00000
|
|
107 7PX 0.00000 -0.00051 -0.00118 0.00000 -0.00007
|
|
108 7PY 0.00000 0.00209 0.00175 0.00000 0.00008
|
|
109 7PZ -0.00078 0.00000 0.00000 -0.00052 0.00000
|
|
110 8D 0 0.00000 -0.00003 0.00009 0.00000 0.00000
|
|
111 8D+1 0.00002 0.00000 0.00000 0.00001 0.00000
|
|
112 8D-1 0.00006 0.00000 0.00000 0.00004 0.00000
|
|
113 8D+2 0.00000 0.00001 0.00006 0.00000 -0.00001
|
|
114 8D-2 0.00000 -0.00002 0.00041 0.00000 -0.00001
|
|
115 9D 0 0.00000 -0.00010 -0.00006 0.00000 -0.00001
|
|
116 9D+1 0.00013 0.00000 0.00000 0.00008 0.00000
|
|
117 9D-1 -0.00002 0.00000 0.00000 -0.00001 0.00000
|
|
118 9D+2 0.00000 0.00000 -0.00032 0.00000 0.00003
|
|
119 9D-2 0.00000 -0.00031 0.00022 0.00000 -0.00003
|
|
120 4 H 1S 0.00000 -0.04074 0.01080 0.00000 -0.00216
|
|
121 2S 0.00000 -0.05206 0.01049 0.00000 -0.00271
|
|
122 3S 0.00000 0.01415 0.00653 0.00000 0.00039
|
|
123 4S 0.00000 0.00218 -0.00135 0.00000 0.00016
|
|
124 5PX 0.00000 -0.00311 0.00112 0.00000 -0.00017
|
|
125 5PY 0.00000 0.00137 0.00054 0.00000 0.00005
|
|
126 5PZ 0.00154 0.00000 0.00000 0.00112 0.00000
|
|
127 6PX 0.00000 0.00011 0.00023 0.00000 0.00001
|
|
128 6PY 0.00000 0.00044 0.00326 0.00000 -0.00004
|
|
129 6PZ 0.00388 0.00000 0.00000 0.00281 0.00000
|
|
130 7PX 0.00000 0.00748 -0.00005 0.00000 0.00032
|
|
131 7PY 0.00000 -0.00185 0.00033 0.00000 -0.00009
|
|
132 7PZ 0.00009 0.00000 0.00000 0.00010 0.00000
|
|
133 8D 0 0.00000 0.00034 -0.00004 0.00000 0.00002
|
|
134 8D+1 0.00065 0.00000 0.00000 0.00047 0.00000
|
|
135 8D-1 -0.00015 0.00000 0.00000 -0.00011 0.00000
|
|
136 8D+2 0.00000 -0.00046 0.00045 0.00000 -0.00003
|
|
137 8D-2 0.00000 0.00046 0.00036 0.00000 0.00001
|
|
138 9D 0 0.00000 -0.00035 0.00032 0.00000 -0.00002
|
|
139 9D+1 0.00048 0.00000 0.00000 0.00035 0.00000
|
|
140 9D-1 -0.00012 0.00000 0.00000 -0.00009 0.00000
|
|
141 9D+2 0.00000 0.00037 0.00038 0.00000 0.00000
|
|
142 9D-2 0.00000 -0.00045 0.00058 0.00000 -0.00002
|
|
143 5 H 1S 0.04600 0.02082 0.01286 0.03327 0.00091
|
|
144 2S 0.06079 0.02829 0.01155 0.04392 0.00136
|
|
145 3S -0.00589 -0.00552 -0.00598 -0.00473 -0.00002
|
|
146 4S -0.00197 -0.00080 -0.00047 -0.00145 -0.00003
|
|
147 5PX -0.00222 0.00017 -0.00063 -0.00160 0.00001
|
|
148 5PY -0.00188 -0.00078 0.00031 -0.00136 -0.00005
|
|
149 5PZ -0.00266 -0.00189 -0.00115 -0.00193 -0.00008
|
|
150 6PX -0.00203 0.00266 -0.00011 -0.00146 0.00013
|
|
151 6PY -0.00061 -0.00010 0.00373 -0.00045 -0.00008
|
|
152 6PZ 0.00117 -0.00169 -0.00009 0.00085 -0.00009
|
|
153 7PX 0.00308 0.00268 0.00247 0.00226 0.00007
|
|
154 7PY 0.00267 0.00202 0.00100 0.00196 0.00008
|
|
155 7PZ 0.00551 0.00228 0.00226 0.00406 0.00006
|
|
156 8D 0 0.00009 0.00051 0.00035 0.00006 0.00002
|
|
157 8D+1 0.00061 -0.00003 0.00024 0.00044 0.00000
|
|
158 8D-1 0.00052 0.00031 -0.00022 0.00037 0.00002
|
|
159 8D+2 0.00012 -0.00017 0.00030 0.00009 -0.00001
|
|
160 8D-2 0.00042 -0.00004 -0.00011 0.00031 0.00000
|
|
161 9D 0 -0.00059 0.00023 0.00017 -0.00042 0.00001
|
|
162 9D+1 -0.00036 -0.00045 -0.00019 -0.00026 -0.00002
|
|
163 9D-1 -0.00054 -0.00017 -0.00059 -0.00039 0.00000
|
|
164 9D+2 0.00028 -0.00012 0.00053 0.00021 -0.00001
|
|
165 9D-2 -0.00018 -0.00039 -0.00043 -0.00013 -0.00001
|
|
166 6 H 1S -0.04600 0.02082 0.01286 -0.03327 0.00091
|
|
167 2S -0.06079 0.02829 0.01155 -0.04392 0.00136
|
|
168 3S 0.00589 -0.00552 -0.00598 0.00473 -0.00002
|
|
169 4S 0.00197 -0.00080 -0.00047 0.00145 -0.00003
|
|
170 5PX 0.00222 0.00017 -0.00063 0.00160 0.00001
|
|
171 5PY 0.00188 -0.00078 0.00031 0.00136 -0.00005
|
|
172 5PZ -0.00266 0.00189 0.00115 -0.00193 0.00008
|
|
173 6PX 0.00203 0.00266 -0.00011 0.00146 0.00013
|
|
174 6PY 0.00061 -0.00010 0.00373 0.00045 -0.00008
|
|
175 6PZ 0.00117 0.00169 0.00009 0.00085 0.00009
|
|
176 7PX -0.00308 0.00268 0.00247 -0.00226 0.00007
|
|
177 7PY -0.00267 0.00202 0.00100 -0.00196 0.00008
|
|
178 7PZ 0.00551 -0.00228 -0.00226 0.00406 -0.00006
|
|
179 8D 0 -0.00009 0.00051 0.00035 -0.00006 0.00002
|
|
180 8D+1 0.00061 0.00003 -0.00024 0.00044 0.00000
|
|
181 8D-1 0.00052 -0.00031 0.00022 0.00037 -0.00002
|
|
182 8D+2 -0.00012 -0.00017 0.00030 -0.00009 -0.00001
|
|
183 8D-2 -0.00042 -0.00004 -0.00011 -0.00031 0.00000
|
|
184 9D 0 0.00059 0.00023 0.00017 0.00042 0.00001
|
|
185 9D+1 -0.00036 0.00045 0.00019 -0.00026 0.00002
|
|
186 9D-1 -0.00054 0.00017 0.00059 -0.00039 0.00000
|
|
187 9D+2 -0.00028 -0.00012 0.00053 -0.00021 -0.00001
|
|
188 9D-2 0.00018 -0.00039 -0.00043 0.00013 -0.00001
|
|
16 17 18 19 20
|
|
16 9PY 0.00035
|
|
17 9PZ 0.00000 0.00029
|
|
18 10D 0 0.00017 0.00000 0.00026
|
|
19 10D+1 0.00000 0.00023 0.00000 0.00022
|
|
20 10D-1 0.00000 0.00025 0.00000 0.00019 0.00021
|
|
21 10D+2 0.00026 0.00000 0.00000 0.00000 0.00000
|
|
22 10D-2 0.00000 0.00000 0.00013 0.00000 0.00000
|
|
23 11D 0 0.00057 0.00000 0.00069 0.00000 0.00000
|
|
24 11D+1 0.00000 0.00051 0.00000 0.00049 0.00043
|
|
25 11D-1 0.00000 0.00047 0.00000 0.00031 0.00041
|
|
26 11D+2 0.00083 0.00000 0.00009 0.00000 0.00000
|
|
27 11D-2 0.00001 0.00000 0.00018 0.00000 0.00000
|
|
28 12D 0 0.00038 0.00000 0.00053 0.00000 0.00000
|
|
29 12D+1 0.00000 0.00026 0.00000 0.00029 0.00022
|
|
30 12D-1 0.00000 0.00022 0.00000 0.00026 0.00018
|
|
31 12D+2 0.00016 0.00000 -0.00015 0.00000 0.00000
|
|
32 12D-2 0.00020 0.00000 0.00024 0.00000 0.00000
|
|
33 13F 0 0.00000 0.00001 0.00000 0.00000 0.00001
|
|
34 13F+1 0.00004 0.00000 0.00002 0.00000 0.00000
|
|
35 13F-1 -0.00003 0.00000 0.00000 0.00000 0.00000
|
|
36 13F+2 0.00000 0.00001 0.00000 0.00000 0.00001
|
|
37 13F-2 0.00000 0.00002 0.00000 0.00002 0.00002
|
|
38 13F+3 -0.00003 0.00000 -0.00001 0.00000 0.00000
|
|
39 13F-3 -0.00006 0.00000 -0.00003 0.00000 0.00000
|
|
40 14F 0 0.00000 0.00000 0.00000 -0.00002 0.00000
|
|
41 14F+1 0.00024 0.00000 0.00007 0.00000 0.00000
|
|
42 14F-1 -0.00001 0.00000 0.00002 0.00000 0.00000
|
|
43 14F+2 0.00000 0.00005 0.00000 0.00002 0.00004
|
|
44 14F-2 0.00000 0.00006 0.00000 0.00005 0.00005
|
|
45 14F+3 -0.00005 0.00000 0.00000 0.00000 0.00000
|
|
46 14F-3 -0.00003 0.00000 -0.00004 0.00000 0.00000
|
|
47 2 S 1S -0.00035 0.00000 -0.00019 0.00000 0.00000
|
|
48 2S 0.00146 0.00000 0.00069 0.00000 0.00000
|
|
49 3S -0.00382 0.00000 -0.00141 0.00000 0.00000
|
|
50 4S -0.00051 0.00000 -0.00014 0.00000 0.00000
|
|
51 5S -0.00125 0.00000 0.00009 0.00000 0.00000
|
|
52 6S 0.00059 0.00000 0.00049 0.00000 0.00000
|
|
53 7PX -0.00060 0.00000 0.00016 0.00000 0.00000
|
|
54 7PY 0.00169 0.00000 0.00121 0.00000 0.00000
|
|
55 7PZ 0.00000 0.00274 0.00000 0.00050 0.00210
|
|
56 8PX 0.00212 0.00000 -0.00029 0.00000 0.00000
|
|
57 8PY -0.00491 0.00000 -0.00270 0.00000 0.00000
|
|
58 8PZ 0.00000 -0.00510 0.00000 -0.00122 -0.00462
|
|
59 9PX 0.00082 0.00000 -0.00016 0.00000 0.00000
|
|
60 9PY -0.00209 0.00000 -0.00113 0.00000 0.00000
|
|
61 9PZ 0.00000 -0.00209 0.00000 -0.00052 -0.00192
|
|
62 10PX 0.00076 0.00000 -0.00068 0.00000 0.00000
|
|
63 10PY -0.00193 0.00000 -0.00120 0.00000 0.00000
|
|
64 10PZ 0.00000 -0.00430 0.00000 -0.00143 -0.00386
|
|
65 11PX -0.00012 0.00000 -0.00010 0.00000 0.00000
|
|
66 11PY 0.00009 0.00000 0.00000 0.00000 0.00000
|
|
67 11PZ 0.00000 -0.00051 0.00000 -0.00023 -0.00045
|
|
68 12D 0 0.00006 0.00000 0.00017 0.00000 0.00000
|
|
69 12D+1 0.00000 -0.00003 0.00000 0.00000 -0.00003
|
|
70 12D-1 0.00000 0.00021 0.00000 0.00023 0.00017
|
|
71 12D+2 0.00075 0.00000 0.00020 0.00000 0.00000
|
|
72 12D-2 -0.00010 0.00000 0.00021 0.00000 0.00000
|
|
73 13D 0 0.00013 0.00000 0.00019 0.00000 0.00000
|
|
74 13D+1 0.00000 -0.00004 0.00000 0.00000 -0.00004
|
|
75 13D-1 0.00000 0.00018 0.00000 0.00021 0.00015
|
|
76 13D+2 0.00073 0.00000 0.00019 0.00000 0.00000
|
|
77 13D-2 -0.00009 0.00000 0.00019 0.00000 0.00000
|
|
78 14D 0 -0.00004 0.00000 0.00000 0.00000 0.00000
|
|
79 14D+1 0.00000 -0.00005 0.00000 -0.00003 -0.00005
|
|
80 14D-1 0.00000 -0.00012 0.00000 -0.00007 -0.00011
|
|
81 14D+2 0.00009 0.00000 0.00000 0.00000 0.00000
|
|
82 14D-2 -0.00009 0.00000 -0.00016 0.00000 0.00000
|
|
83 15F 0 0.00000 0.00001 0.00000 -0.00004 0.00001
|
|
84 15F+1 -0.00007 0.00000 -0.00001 0.00000 0.00000
|
|
85 15F-1 0.00014 0.00000 0.00008 0.00000 0.00000
|
|
86 15F+2 0.00000 -0.00007 0.00000 -0.00007 -0.00006
|
|
87 15F-2 0.00000 0.00003 0.00000 0.00002 0.00003
|
|
88 15F+3 0.00004 0.00000 -0.00010 0.00000 0.00000
|
|
89 15F-3 0.00010 0.00000 0.00007 0.00000 0.00000
|
|
90 16F 0 0.00000 0.00004 0.00000 0.00001 0.00004
|
|
91 16F+1 -0.00002 0.00000 -0.00001 0.00000 0.00000
|
|
92 16F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
93 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
94 16F-2 0.00000 0.00002 0.00000 0.00001 0.00002
|
|
95 16F+3 0.00003 0.00000 0.00001 0.00000 0.00000
|
|
96 16F-3 -0.00003 0.00000 -0.00001 0.00000 0.00000
|
|
97 3 H 1S 0.00087 0.00000 -0.00023 0.00000 0.00000
|
|
98 2S 0.00132 0.00000 -0.00047 0.00000 0.00000
|
|
99 3S 0.00114 0.00000 0.00006 0.00000 0.00000
|
|
100 4S 0.00022 0.00000 0.00006 0.00000 0.00000
|
|
101 5PX -0.00005 0.00000 0.00001 0.00000 0.00000
|
|
102 5PY -0.00004 0.00000 -0.00002 0.00000 0.00000
|
|
103 5PZ 0.00000 -0.00006 0.00000 -0.00002 -0.00005
|
|
104 6PX 0.00006 0.00000 0.00003 0.00000 0.00000
|
|
105 6PY -0.00013 0.00000 -0.00006 0.00000 0.00000
|
|
106 6PZ 0.00000 -0.00020 0.00000 -0.00006 -0.00018
|
|
107 7PX -0.00007 0.00000 -0.00009 0.00000 0.00000
|
|
108 7PY 0.00017 0.00000 0.00019 0.00000 0.00000
|
|
109 7PZ 0.00000 -0.00013 0.00000 -0.00005 -0.00012
|
|
110 8D 0 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
111 8D+1 0.00000 0.00002 0.00000 0.00001 0.00002
|
|
112 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
113 8D+2 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
114 8D-2 0.00003 0.00000 0.00002 0.00000 0.00000
|
|
115 9D 0 0.00000 0.00000 -0.00001 0.00000 0.00000
|
|
116 9D+1 0.00000 0.00003 0.00000 0.00001 0.00003
|
|
117 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
118 9D+2 -0.00005 0.00000 -0.00001 0.00000 0.00000
|
|
119 9D-2 0.00002 0.00000 -0.00001 0.00000 0.00000
|
|
120 4 H 1S 0.00110 0.00000 -0.00167 0.00000 0.00000
|
|
121 2S 0.00107 0.00000 -0.00229 0.00000 0.00000
|
|
122 3S 0.00088 0.00000 0.00104 0.00000 0.00000
|
|
123 4S -0.00013 0.00000 0.00007 0.00000 0.00000
|
|
124 5PX 0.00011 0.00000 -0.00011 0.00000 0.00000
|
|
125 5PY 0.00005 0.00000 0.00009 0.00000 0.00000
|
|
126 5PZ 0.00000 0.00007 0.00000 0.00007 0.00006
|
|
127 6PX 0.00002 0.00000 0.00002 0.00000 0.00000
|
|
128 6PY 0.00031 0.00000 0.00017 0.00000 0.00000
|
|
129 6PZ 0.00000 0.00017 0.00000 0.00018 0.00014
|
|
130 7PX 0.00006 0.00000 0.00040 0.00000 0.00000
|
|
131 7PY 0.00005 0.00000 -0.00007 0.00000 0.00000
|
|
132 7PZ 0.00000 -0.00003 0.00000 0.00000 -0.00003
|
|
133 8D 0 0.00000 0.00000 0.00002 0.00000 0.00000
|
|
134 8D+1 0.00000 0.00003 0.00000 0.00003 0.00002
|
|
135 8D-1 0.00000 0.00000 0.00000 -0.00001 0.00000
|
|
136 8D+2 0.00004 0.00000 0.00000 0.00000 0.00000
|
|
137 8D-2 0.00003 0.00000 0.00004 0.00000 0.00000
|
|
138 9D 0 0.00003 0.00000 -0.00001 0.00000 0.00000
|
|
139 9D+1 0.00000 0.00002 0.00000 0.00002 0.00001
|
|
140 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
141 9D+2 0.00003 0.00000 0.00003 0.00000 0.00000
|
|
142 9D-2 0.00006 0.00000 0.00000 0.00000 0.00000
|
|
143 5 H 1S 0.00135 0.00220 0.00169 0.00213 0.00185
|
|
144 2S 0.00122 0.00298 0.00203 0.00283 0.00252
|
|
145 3S -0.00078 0.00060 -0.00057 -0.00010 0.00057
|
|
146 4S -0.00007 -0.00004 -0.00007 -0.00008 -0.00003
|
|
147 5PX -0.00006 -0.00010 -0.00002 -0.00010 -0.00008
|
|
148 5PY 0.00002 -0.00008 -0.00003 -0.00008 -0.00006
|
|
149 5PZ -0.00012 -0.00012 -0.00015 -0.00012 -0.00010
|
|
150 6PX -0.00001 -0.00010 0.00014 -0.00009 -0.00008
|
|
151 6PY 0.00033 -0.00001 0.00015 -0.00002 -0.00001
|
|
152 6PZ -0.00001 0.00005 -0.00009 0.00005 0.00004
|
|
153 7PX 0.00025 0.00007 0.00024 0.00013 0.00006
|
|
154 7PY 0.00012 0.00009 0.00015 0.00012 0.00008
|
|
155 7PZ 0.00026 0.00012 0.00023 0.00023 0.00009
|
|
156 8D 0 0.00003 0.00001 0.00004 0.00000 0.00001
|
|
157 8D+1 0.00002 0.00003 0.00001 0.00003 0.00002
|
|
158 8D-1 -0.00002 0.00002 0.00001 0.00002 0.00002
|
|
159 8D+2 0.00003 0.00001 0.00000 0.00001 0.00001
|
|
160 8D-2 -0.00001 0.00002 -0.00001 0.00002 0.00001
|
|
161 9D 0 0.00001 -0.00003 0.00002 -0.00003 -0.00002
|
|
162 9D+1 -0.00002 -0.00001 -0.00003 -0.00002 -0.00001
|
|
163 9D-1 -0.00006 -0.00003 -0.00004 -0.00002 -0.00002
|
|
164 9D+2 0.00005 0.00001 0.00002 0.00001 0.00001
|
|
165 9D-2 -0.00004 -0.00001 -0.00004 -0.00001 -0.00001
|
|
166 6 H 1S 0.00135 -0.00220 0.00169 -0.00213 -0.00185
|
|
167 2S 0.00122 -0.00298 0.00203 -0.00283 -0.00252
|
|
168 3S -0.00078 -0.00060 -0.00057 0.00010 -0.00057
|
|
169 4S -0.00007 0.00004 -0.00007 0.00008 0.00003
|
|
170 5PX -0.00006 0.00010 -0.00002 0.00010 0.00008
|
|
171 5PY 0.00002 0.00008 -0.00003 0.00008 0.00006
|
|
172 5PZ 0.00012 -0.00012 0.00015 -0.00012 -0.00010
|
|
173 6PX -0.00001 0.00010 0.00014 0.00009 0.00008
|
|
174 6PY 0.00033 0.00001 0.00015 0.00002 0.00001
|
|
175 6PZ 0.00001 0.00005 0.00009 0.00005 0.00004
|
|
176 7PX 0.00025 -0.00007 0.00024 -0.00013 -0.00006
|
|
177 7PY 0.00012 -0.00009 0.00015 -0.00012 -0.00008
|
|
178 7PZ -0.00026 0.00012 -0.00023 0.00023 0.00009
|
|
179 8D 0 0.00003 -0.00001 0.00004 0.00000 -0.00001
|
|
180 8D+1 -0.00002 0.00003 -0.00001 0.00003 0.00002
|
|
181 8D-1 0.00002 0.00002 -0.00001 0.00002 0.00002
|
|
182 8D+2 0.00003 -0.00001 0.00000 -0.00001 -0.00001
|
|
183 8D-2 -0.00001 -0.00002 -0.00001 -0.00002 -0.00001
|
|
184 9D 0 0.00001 0.00003 0.00002 0.00003 0.00002
|
|
185 9D+1 0.00002 -0.00001 0.00003 -0.00002 -0.00001
|
|
186 9D-1 0.00006 -0.00003 0.00004 -0.00002 -0.00002
|
|
187 9D+2 0.00005 -0.00001 0.00002 -0.00001 -0.00001
|
|
188 9D-2 -0.00004 0.00001 -0.00004 0.00001 0.00001
|
|
21 22 23 24 25
|
|
21 10D+2 0.00030
|
|
22 10D-2 -0.00008 0.00011
|
|
23 11D 0 0.00014 0.00032 0.00196
|
|
24 11D+1 0.00000 0.00000 0.00000 0.00112
|
|
25 11D-1 0.00000 0.00000 0.00000 0.00069 0.00085
|
|
26 11D+2 0.00090 -0.00020 0.00071 0.00000 0.00000
|
|
27 11D-2 -0.00006 0.00016 0.00046 0.00000 0.00000
|
|
28 12D 0 0.00002 0.00026 0.00145 0.00000 0.00000
|
|
29 12D+1 0.00000 0.00000 0.00000 0.00068 0.00030
|
|
30 12D-1 0.00000 0.00000 0.00000 0.00060 0.00022
|
|
31 12D+2 0.00030 -0.00016 -0.00028 0.00000 0.00000
|
|
32 12D-2 0.00002 0.00009 0.00064 0.00000 0.00000
|
|
33 13F 0 0.00000 0.00000 0.00000 -0.00001 0.00004
|
|
34 13F+1 0.00004 0.00000 0.00004 0.00000 0.00000
|
|
35 13F-1 -0.00004 0.00001 -0.00006 0.00000 0.00000
|
|
36 13F+2 0.00000 0.00000 0.00000 -0.00001 0.00005
|
|
37 13F-2 0.00000 0.00000 0.00000 0.00005 0.00003
|
|
38 13F+3 -0.00001 0.00001 -0.00002 0.00000 0.00000
|
|
39 13F-3 -0.00004 0.00000 -0.00014 0.00000 0.00000
|
|
40 14F 0 0.00000 0.00000 0.00000 -0.00004 0.00002
|
|
41 14F+1 0.00023 -0.00002 0.00032 0.00000 0.00000
|
|
42 14F-1 -0.00003 0.00002 0.00003 0.00000 0.00000
|
|
43 14F+2 0.00000 0.00000 0.00000 0.00005 0.00010
|
|
44 14F-2 0.00000 0.00000 0.00000 0.00012 0.00008
|
|
45 14F+3 -0.00006 0.00002 -0.00003 0.00000 0.00000
|
|
46 14F-3 -0.00001 -0.00003 -0.00011 0.00000 0.00000
|
|
47 2 S 1S -0.00040 0.00010 -0.00067 0.00000 0.00000
|
|
48 2S 0.00154 -0.00038 0.00263 0.00000 0.00000
|
|
49 3S -0.00318 0.00080 -0.00487 0.00000 0.00000
|
|
50 4S -0.00039 0.00015 -0.00045 0.00000 0.00000
|
|
51 5S -0.00108 0.00107 0.00026 0.00000 0.00000
|
|
52 6S 0.00036 0.00021 0.00145 0.00000 0.00000
|
|
53 7PX -0.00031 0.00102 0.00052 0.00000 0.00000
|
|
54 7PY 0.00180 0.00031 0.00526 0.00000 0.00000
|
|
55 7PZ 0.00000 0.00000 0.00000 0.00175 0.00515
|
|
56 8PX 0.00089 -0.00208 -0.00085 0.00000 0.00000
|
|
57 8PY -0.00407 -0.00060 -0.01044 0.00000 0.00000
|
|
58 8PZ 0.00000 0.00000 0.00000 -0.00220 -0.01218
|
|
59 9PX 0.00032 -0.00085 -0.00049 0.00000 0.00000
|
|
60 9PY -0.00170 -0.00025 -0.00432 0.00000 0.00000
|
|
61 9PZ 0.00000 0.00000 0.00000 -0.00089 -0.00508
|
|
62 10PX 0.00045 -0.00137 -0.00195 0.00000 0.00000
|
|
63 10PY -0.00161 -0.00043 -0.00460 0.00000 0.00000
|
|
64 10PZ 0.00000 0.00000 0.00000 -0.00283 -0.00970
|
|
65 11PX -0.00007 -0.00004 -0.00031 0.00000 0.00000
|
|
66 11PY 0.00006 -0.00005 0.00001 0.00000 0.00000
|
|
67 11PZ 0.00000 0.00000 0.00000 -0.00047 -0.00107
|
|
68 12D 0 0.00007 0.00018 0.00060 0.00000 0.00000
|
|
69 12D+1 0.00000 0.00000 0.00000 0.00001 -0.00010
|
|
70 12D-1 0.00000 0.00000 0.00000 0.00053 0.00025
|
|
71 12D+2 0.00058 -0.00021 0.00095 0.00000 0.00000
|
|
72 12D-2 -0.00025 0.00020 0.00043 0.00000 0.00000
|
|
73 13D 0 0.00013 0.00017 0.00067 0.00000 0.00000
|
|
74 13D+1 0.00000 0.00000 0.00000 0.00000 -0.00011
|
|
75 13D-1 0.00000 0.00000 0.00000 0.00047 0.00021
|
|
76 13D+2 0.00055 -0.00020 0.00089 0.00000 0.00000
|
|
77 13D-2 -0.00022 0.00018 0.00040 0.00000 0.00000
|
|
78 14D 0 0.00000 0.00004 0.00003 0.00000 0.00000
|
|
79 14D+1 0.00000 0.00000 0.00000 -0.00006 -0.00010
|
|
80 14D-1 0.00000 0.00000 0.00000 -0.00015 -0.00024
|
|
81 14D+2 0.00007 -0.00006 0.00006 0.00000 0.00000
|
|
82 14D-2 0.00000 -0.00011 -0.00046 0.00000 0.00000
|
|
83 15F 0 0.00000 0.00000 0.00000 -0.00010 0.00007
|
|
84 15F+1 -0.00002 0.00004 -0.00003 0.00000 0.00000
|
|
85 15F-1 0.00011 0.00001 0.00029 0.00000 0.00000
|
|
86 15F+2 0.00000 0.00000 0.00000 -0.00017 -0.00009
|
|
87 15F-2 0.00000 0.00000 0.00000 0.00003 0.00006
|
|
88 15F+3 0.00009 -0.00011 -0.00024 0.00000 0.00000
|
|
89 15F-3 0.00009 0.00003 0.00026 0.00000 0.00000
|
|
90 16F 0 0.00000 0.00000 0.00000 0.00002 0.00010
|
|
91 16F+1 -0.00001 0.00001 -0.00002 0.00000 0.00000
|
|
92 16F-1 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
93 16F+2 0.00000 0.00000 0.00000 0.00000 -0.00001
|
|
94 16F-2 0.00000 0.00000 0.00000 0.00002 0.00004
|
|
95 16F+3 0.00002 -0.00001 0.00005 0.00000 0.00000
|
|
96 16F-3 -0.00003 0.00000 -0.00004 0.00000 0.00000
|
|
97 3 H 1S 0.00047 -0.00088 -0.00046 0.00000 0.00000
|
|
98 2S 0.00074 -0.00145 -0.00105 0.00000 0.00000
|
|
99 3S 0.00092 -0.00055 0.00058 0.00000 0.00000
|
|
100 4S 0.00017 -0.00004 0.00025 0.00000 0.00000
|
|
101 5PX -0.00002 0.00006 0.00003 0.00000 0.00000
|
|
102 5PY -0.00004 -0.00001 -0.00009 0.00000 0.00000
|
|
103 5PZ 0.00000 0.00000 0.00000 -0.00003 -0.00013
|
|
104 6PX 0.00008 0.00002 0.00013 0.00000 0.00000
|
|
105 6PY -0.00012 -0.00002 -0.00026 0.00000 0.00000
|
|
106 6PZ 0.00000 0.00000 0.00000 -0.00010 -0.00046
|
|
107 7PX -0.00007 -0.00008 -0.00029 0.00000 0.00000
|
|
108 7PY 0.00006 0.00009 0.00055 0.00000 0.00000
|
|
109 7PZ 0.00000 0.00000 0.00000 -0.00011 -0.00029
|
|
110 8D 0 0.00001 0.00001 0.00002 0.00000 0.00000
|
|
111 8D+1 0.00000 0.00000 0.00000 0.00001 0.00006
|
|
112 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
113 8D+2 0.00000 -0.00001 -0.00001 0.00000 0.00000
|
|
114 8D-2 0.00003 0.00000 0.00006 0.00000 0.00000
|
|
115 9D 0 0.00000 -0.00001 -0.00003 0.00000 0.00000
|
|
116 9D+1 0.00000 0.00000 0.00000 0.00002 0.00008
|
|
117 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
118 9D+2 -0.00003 0.00002 -0.00004 0.00000 0.00000
|
|
119 9D-2 0.00002 -0.00002 -0.00001 0.00000 0.00000
|
|
120 4 H 1S 0.00251 -0.00150 -0.00364 0.00000 0.00000
|
|
121 2S 0.00292 -0.00192 -0.00521 0.00000 0.00000
|
|
122 3S 0.00003 0.00035 0.00278 0.00000 0.00000
|
|
123 4S -0.00018 0.00010 0.00008 0.00000 0.00000
|
|
124 5PX 0.00021 -0.00011 -0.00024 0.00000 0.00000
|
|
125 5PY -0.00002 0.00005 0.00026 0.00000 0.00000
|
|
126 5PZ 0.00000 0.00000 0.00000 0.00016 0.00009
|
|
127 6PX 0.00001 0.00001 0.00003 0.00000 0.00000
|
|
128 6PY 0.00024 0.00003 0.00059 0.00000 0.00000
|
|
129 6PZ 0.00000 0.00000 0.00000 0.00040 0.00022
|
|
130 7PX -0.00028 0.00023 0.00095 0.00000 0.00000
|
|
131 7PY 0.00012 -0.00007 -0.00016 0.00000 0.00000
|
|
132 7PZ 0.00000 0.00000 0.00000 0.00000 -0.00009
|
|
133 8D 0 -0.00002 0.00001 0.00004 0.00000 0.00000
|
|
134 8D+1 0.00000 0.00000 0.00000 0.00007 0.00004
|
|
135 8D-1 0.00000 0.00000 0.00000 -0.00001 0.00000
|
|
136 8D+2 0.00005 -0.00002 0.00001 0.00000 0.00000
|
|
137 8D-2 0.00001 0.00002 0.00012 0.00000 0.00000
|
|
138 9D 0 0.00004 -0.00001 -0.00001 0.00000 0.00000
|
|
139 9D+1 0.00000 0.00000 0.00000 0.00005 0.00002
|
|
140 9D-1 0.00000 0.00000 0.00000 -0.00001 0.00001
|
|
141 9D+2 0.00001 0.00001 0.00011 0.00000 0.00000
|
|
142 9D-2 0.00007 -0.00001 0.00004 0.00000 0.00000
|
|
143 5 H 1S 0.00021 0.00085 0.00425 0.00484 0.00300
|
|
144 2S -0.00021 0.00116 0.00484 0.00642 0.00416
|
|
145 3S -0.00034 -0.00007 -0.00170 -0.00035 0.00181
|
|
146 4S -0.00002 -0.00002 -0.00019 -0.00019 0.00002
|
|
147 5PX -0.00006 0.00000 -0.00006 -0.00023 -0.00013
|
|
148 5PY 0.00005 -0.00003 -0.00004 -0.00019 -0.00009
|
|
149 5PZ -0.00002 -0.00008 -0.00038 -0.00028 -0.00016
|
|
150 6PX -0.00011 0.00010 0.00032 -0.00021 -0.00013
|
|
151 6PY 0.00028 0.00001 0.00058 -0.00006 0.00001
|
|
152 6PZ 0.00006 -0.00007 -0.00020 0.00012 0.00006
|
|
153 7PX 0.00008 0.00009 0.00069 0.00030 0.00002
|
|
154 7PY 0.00001 0.00007 0.00040 0.00027 0.00009
|
|
155 7PZ 0.00011 0.00007 0.00063 0.00054 0.00001
|
|
156 8D 0 0.00001 0.00002 0.00011 0.00001 0.00001
|
|
157 8D+1 0.00002 0.00000 0.00003 0.00006 0.00004
|
|
158 8D-1 -0.00003 0.00001 0.00000 0.00005 0.00003
|
|
159 8D+2 0.00003 -0.00001 0.00003 0.00001 0.00001
|
|
160 8D-2 -0.00001 0.00000 -0.00002 0.00004 0.00002
|
|
161 9D 0 0.00000 0.00001 0.00007 -0.00006 -0.00003
|
|
162 9D+1 0.00000 -0.00002 -0.00007 -0.00004 -0.00001
|
|
163 9D-1 -0.00004 -0.00001 -0.00011 -0.00006 -0.00003
|
|
164 9D+2 0.00005 0.00000 0.00007 0.00003 0.00002
|
|
165 9D-2 -0.00002 -0.00002 -0.00011 -0.00002 -0.00002
|
|
166 6 H 1S 0.00021 0.00085 0.00425 -0.00484 -0.00300
|
|
167 2S -0.00021 0.00116 0.00484 -0.00642 -0.00416
|
|
168 3S -0.00034 -0.00007 -0.00170 0.00035 -0.00181
|
|
169 4S -0.00002 -0.00002 -0.00019 0.00019 -0.00002
|
|
170 5PX -0.00006 0.00000 -0.00006 0.00023 0.00013
|
|
171 5PY 0.00005 -0.00003 -0.00004 0.00019 0.00009
|
|
172 5PZ 0.00002 0.00008 0.00038 -0.00028 -0.00016
|
|
173 6PX -0.00011 0.00010 0.00032 0.00021 0.00013
|
|
174 6PY 0.00028 0.00001 0.00058 0.00006 -0.00001
|
|
175 6PZ -0.00006 0.00007 0.00020 0.00012 0.00006
|
|
176 7PX 0.00008 0.00009 0.00069 -0.00030 -0.00002
|
|
177 7PY 0.00001 0.00007 0.00040 -0.00027 -0.00009
|
|
178 7PZ -0.00011 -0.00007 -0.00063 0.00054 0.00001
|
|
179 8D 0 0.00001 0.00002 0.00011 -0.00001 -0.00001
|
|
180 8D+1 -0.00002 0.00000 -0.00003 0.00006 0.00004
|
|
181 8D-1 0.00003 -0.00001 0.00000 0.00005 0.00003
|
|
182 8D+2 0.00003 -0.00001 0.00003 -0.00001 -0.00001
|
|
183 8D-2 -0.00001 0.00000 -0.00002 -0.00004 -0.00002
|
|
184 9D 0 0.00000 0.00001 0.00007 0.00006 0.00003
|
|
185 9D+1 0.00000 0.00002 0.00007 -0.00004 -0.00001
|
|
186 9D-1 0.00004 0.00001 0.00011 -0.00006 -0.00003
|
|
187 9D+2 0.00005 0.00000 0.00007 -0.00003 -0.00002
|
|
188 9D-2 -0.00002 -0.00002 -0.00011 0.00002 0.00002
|
|
26 27 28 29 30
|
|
26 11D+2 0.00279
|
|
27 11D-2 -0.00011 0.00031
|
|
28 12D 0 0.00027 0.00031 0.00114
|
|
29 12D+1 0.00000 0.00000 0.00000 0.00045
|
|
30 12D-1 0.00000 0.00000 0.00000 0.00040 0.00037
|
|
31 12D+2 0.00082 -0.00015 -0.00030 0.00000 0.00000
|
|
32 12D-2 0.00016 0.00006 0.00050 0.00000 0.00000
|
|
33 13F 0 0.00000 0.00000 0.00000 -0.00002 -0.00002
|
|
34 13F+1 0.00010 0.00002 0.00002 0.00000 0.00000
|
|
35 13F-1 -0.00015 0.00000 -0.00003 0.00000 0.00000
|
|
36 13F+2 0.00000 0.00000 0.00000 -0.00002 -0.00003
|
|
37 13F-2 0.00000 0.00000 0.00000 0.00003 0.00003
|
|
38 13F+3 -0.00003 0.00003 -0.00003 0.00000 0.00000
|
|
39 13F-3 -0.00017 -0.00001 -0.00009 0.00000 0.00000
|
|
40 14F 0 0.00000 0.00000 0.00000 -0.00004 -0.00004
|
|
41 14F+1 0.00072 0.00001 0.00018 0.00000 0.00000
|
|
42 14F-1 -0.00007 0.00003 0.00002 0.00000 0.00000
|
|
43 14F+2 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
44 14F-2 0.00000 0.00000 0.00000 0.00007 0.00006
|
|
45 14F+3 -0.00018 0.00002 0.00000 0.00000 0.00000
|
|
46 14F-3 -0.00003 -0.00005 -0.00007 0.00000 0.00000
|
|
47 2 S 1S -0.00152 0.00017 0.00004 0.00000 0.00000
|
|
48 2S 0.00586 -0.00065 0.00003 0.00000 0.00000
|
|
49 3S -0.01046 0.00133 -0.00094 0.00000 0.00000
|
|
50 4S -0.00117 0.00031 -0.00008 0.00000 0.00000
|
|
51 5S -0.00325 0.00231 0.00150 0.00000 0.00000
|
|
52 6S 0.00122 0.00044 0.00093 0.00000 0.00000
|
|
53 7PX -0.00009 0.00174 0.00125 0.00000 0.00000
|
|
54 7PY 0.00768 0.00035 0.00258 0.00000 0.00000
|
|
55 7PZ 0.00000 0.00000 0.00000 0.00237 -0.00031
|
|
56 8PX 0.00197 -0.00574 0.00088 0.00000 0.00000
|
|
57 8PY -0.01422 -0.00202 -0.00716 0.00000 0.00000
|
|
58 8PZ 0.00000 0.00000 0.00000 0.00148 0.00254
|
|
59 9PX 0.00068 -0.00244 0.00038 0.00000 0.00000
|
|
60 9PY -0.00581 -0.00089 -0.00304 0.00000 0.00000
|
|
61 9PZ 0.00000 0.00000 0.00000 0.00079 0.00109
|
|
62 10PX 0.00078 -0.00340 -0.00082 0.00000 0.00000
|
|
63 10PY -0.00575 -0.00127 -0.00317 0.00000 0.00000
|
|
64 10PZ 0.00000 0.00000 0.00000 0.00037 0.00122
|
|
65 11PX -0.00024 -0.00008 -0.00023 0.00000 0.00000
|
|
66 11PY 0.00016 -0.00013 -0.00001 0.00000 0.00000
|
|
67 11PZ 0.00000 0.00000 0.00000 -0.00008 0.00002
|
|
68 12D 0 0.00039 0.00045 0.00032 0.00000 0.00000
|
|
69 12D+1 0.00000 0.00000 0.00000 0.00003 0.00004
|
|
70 12D-1 0.00000 0.00000 0.00000 0.00034 0.00031
|
|
71 12D+2 0.00193 -0.00047 0.00081 0.00000 0.00000
|
|
72 12D-2 -0.00069 0.00025 0.00037 0.00000 0.00000
|
|
73 13D 0 0.00055 0.00044 0.00035 0.00000 0.00000
|
|
74 13D+1 0.00000 0.00000 0.00000 0.00003 0.00004
|
|
75 13D-1 0.00000 0.00000 0.00000 0.00031 0.00028
|
|
76 13D+2 0.00181 -0.00046 0.00077 0.00000 0.00000
|
|
77 13D-2 -0.00059 0.00025 0.00032 0.00000 0.00000
|
|
78 14D 0 0.00003 0.00014 0.00001 0.00000 0.00000
|
|
79 14D+1 0.00000 0.00000 0.00000 -0.00002 -0.00001
|
|
80 14D-1 0.00000 0.00000 0.00000 -0.00005 -0.00003
|
|
81 14D+2 0.00023 -0.00014 0.00009 0.00000 0.00000
|
|
82 14D-2 -0.00009 -0.00018 -0.00034 0.00000 0.00000
|
|
83 15F 0 0.00000 0.00000 0.00000 -0.00009 -0.00010
|
|
84 15F+1 -0.00006 0.00014 -0.00008 0.00000 0.00000
|
|
85 15F-1 0.00039 0.00003 0.00020 0.00000 0.00000
|
|
86 15F+2 0.00000 0.00000 0.00000 -0.00010 -0.00009
|
|
87 15F-2 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
88 15F+3 0.00021 -0.00020 -0.00015 0.00000 0.00000
|
|
89 15F-3 0.00033 0.00009 0.00014 0.00000 0.00000
|
|
90 16F 0 0.00000 0.00000 0.00000 -0.00001 -0.00002
|
|
91 16F+1 -0.00003 0.00002 -0.00002 0.00000 0.00000
|
|
92 16F-1 0.00002 0.00002 0.00000 0.00000 0.00000
|
|
93 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
94 16F-2 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
95 16F+3 0.00008 -0.00001 0.00004 0.00000 0.00000
|
|
96 16F-3 -0.00009 -0.00002 -0.00001 0.00000 0.00000
|
|
97 3 H 1S 0.00110 -0.00231 0.00056 0.00000 0.00000
|
|
98 2S 0.00169 -0.00375 0.00056 0.00000 0.00000
|
|
99 3S 0.00271 -0.00121 0.00061 0.00000 0.00000
|
|
100 4S 0.00054 -0.00009 0.00018 0.00000 0.00000
|
|
101 5PX -0.00002 0.00016 -0.00006 0.00000 0.00000
|
|
102 5PY -0.00015 -0.00004 -0.00005 0.00000 0.00000
|
|
103 5PZ 0.00000 0.00000 0.00000 0.00001 0.00003
|
|
104 6PX 0.00027 0.00009 0.00000 0.00000 0.00000
|
|
105 6PY -0.00040 -0.00007 -0.00016 0.00000 0.00000
|
|
106 6PZ 0.00000 0.00000 0.00000 0.00004 0.00008
|
|
107 7PX -0.00029 -0.00022 -0.00012 0.00000 0.00000
|
|
108 7PY 0.00026 0.00014 0.00039 0.00000 0.00000
|
|
109 7PZ 0.00000 0.00000 0.00000 -0.00001 0.00002
|
|
110 8D 0 0.00004 0.00002 0.00000 0.00000 0.00000
|
|
111 8D+1 0.00000 0.00000 0.00000 -0.00001 -0.00001
|
|
112 8D-1 0.00000 0.00000 0.00000 0.00001 0.00001
|
|
113 8D+2 -0.00001 -0.00003 0.00001 0.00000 0.00000
|
|
114 8D-2 0.00010 0.00002 0.00004 0.00000 0.00000
|
|
115 9D 0 -0.00001 -0.00002 -0.00001 0.00000 0.00000
|
|
116 9D+1 0.00000 0.00000 0.00000 0.00000 -0.00001
|
|
117 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
118 9D+2 -0.00008 0.00007 -0.00005 0.00000 0.00000
|
|
119 9D-2 0.00007 -0.00003 0.00000 0.00000 0.00000
|
|
120 4 H 1S 0.00655 -0.00149 -0.00345 0.00000 0.00000
|
|
121 2S 0.00745 -0.00197 -0.00472 0.00000 0.00000
|
|
122 3S 0.00041 0.00010 0.00233 0.00000 0.00000
|
|
123 4S -0.00052 0.00014 0.00008 0.00000 0.00000
|
|
124 5PX 0.00056 -0.00010 -0.00024 0.00000 0.00000
|
|
125 5PY 0.00000 0.00005 0.00021 0.00000 0.00000
|
|
126 5PZ 0.00000 0.00000 0.00000 0.00010 0.00009
|
|
127 6PX 0.00002 0.00001 0.00002 0.00000 0.00000
|
|
128 6PY 0.00081 0.00008 0.00037 0.00000 0.00000
|
|
129 6PZ 0.00000 0.00000 0.00000 0.00025 0.00023
|
|
130 7PX -0.00068 0.00017 0.00085 0.00000 0.00000
|
|
131 7PY 0.00032 -0.00006 -0.00018 0.00000 0.00000
|
|
132 7PZ 0.00000 0.00000 0.00000 0.00003 0.00003
|
|
133 8D 0 -0.00004 0.00001 0.00003 0.00000 0.00000
|
|
134 8D+1 0.00000 0.00000 0.00000 0.00004 0.00004
|
|
135 8D-1 0.00000 0.00000 0.00000 -0.00001 -0.00001
|
|
136 8D+2 0.00016 -0.00001 -0.00001 0.00000 0.00000
|
|
137 8D-2 0.00005 0.00002 0.00009 0.00000 0.00000
|
|
138 9D 0 0.00009 0.00000 -0.00001 0.00000 0.00000
|
|
139 9D+1 0.00000 0.00000 0.00000 0.00003 0.00003
|
|
140 9D-1 0.00000 0.00000 0.00000 -0.00001 -0.00001
|
|
141 9D+2 0.00006 0.00000 0.00009 0.00000 0.00000
|
|
142 9D-2 0.00019 0.00001 0.00000 0.00000 0.00000
|
|
143 5 H 1S 0.00082 0.00115 0.00329 0.00292 0.00259
|
|
144 2S -0.00045 0.00151 0.00389 0.00382 0.00337
|
|
145 3S -0.00124 0.00012 -0.00132 -0.00077 -0.00089
|
|
146 4S -0.00009 -0.00002 -0.00014 -0.00015 -0.00015
|
|
147 5PX -0.00016 -0.00001 -0.00004 -0.00014 -0.00013
|
|
148 5PY 0.00016 -0.00002 -0.00005 -0.00012 -0.00011
|
|
149 5PZ -0.00007 -0.00010 -0.00030 -0.00017 -0.00015
|
|
150 6PX -0.00029 0.00010 0.00028 -0.00013 -0.00011
|
|
151 6PY 0.00095 0.00007 0.00037 -0.00005 -0.00005
|
|
152 6PZ 0.00017 -0.00008 -0.00018 0.00008 0.00007
|
|
153 7PX 0.00032 0.00010 0.00054 0.00023 0.00022
|
|
154 7PY 0.00006 0.00008 0.00031 0.00019 0.00017
|
|
155 7PZ 0.00037 0.00008 0.00047 0.00041 0.00040
|
|
156 8D 0 0.00003 0.00003 0.00009 0.00000 0.00000
|
|
157 8D+1 0.00006 0.00001 0.00002 0.00004 0.00003
|
|
158 8D-1 -0.00009 0.00001 0.00001 0.00003 0.00003
|
|
159 8D+2 0.00009 0.00000 0.00001 0.00001 0.00001
|
|
160 8D-2 -0.00003 0.00000 -0.00002 0.00003 0.00003
|
|
161 9D 0 0.00003 0.00001 0.00005 -0.00004 -0.00003
|
|
162 9D+1 0.00001 -0.00002 -0.00006 -0.00002 -0.00002
|
|
163 9D-1 -0.00012 -0.00003 -0.00007 -0.00003 -0.00003
|
|
164 9D+2 0.00015 0.00001 0.00004 0.00002 0.00002
|
|
165 9D-2 -0.00006 -0.00002 -0.00008 -0.00001 -0.00001
|
|
166 6 H 1S 0.00082 0.00115 0.00329 -0.00292 -0.00259
|
|
167 2S -0.00045 0.00151 0.00389 -0.00382 -0.00337
|
|
168 3S -0.00124 0.00012 -0.00132 0.00077 0.00089
|
|
169 4S -0.00009 -0.00002 -0.00014 0.00015 0.00015
|
|
170 5PX -0.00016 -0.00001 -0.00004 0.00014 0.00013
|
|
171 5PY 0.00016 -0.00002 -0.00005 0.00012 0.00011
|
|
172 5PZ 0.00007 0.00010 0.00030 -0.00017 -0.00015
|
|
173 6PX -0.00029 0.00010 0.00028 0.00013 0.00011
|
|
174 6PY 0.00095 0.00007 0.00037 0.00005 0.00005
|
|
175 6PZ -0.00017 0.00008 0.00018 0.00008 0.00007
|
|
176 7PX 0.00032 0.00010 0.00054 -0.00023 -0.00022
|
|
177 7PY 0.00006 0.00008 0.00031 -0.00019 -0.00017
|
|
178 7PZ -0.00037 -0.00008 -0.00047 0.00041 0.00040
|
|
179 8D 0 0.00003 0.00003 0.00009 0.00000 0.00000
|
|
180 8D+1 -0.00006 -0.00001 -0.00002 0.00004 0.00003
|
|
181 8D-1 0.00009 -0.00001 -0.00001 0.00003 0.00003
|
|
182 8D+2 0.00009 0.00000 0.00001 -0.00001 -0.00001
|
|
183 8D-2 -0.00003 0.00000 -0.00002 -0.00003 -0.00003
|
|
184 9D 0 0.00003 0.00001 0.00005 0.00004 0.00003
|
|
185 9D+1 -0.00001 0.00002 0.00006 -0.00002 -0.00002
|
|
186 9D-1 0.00012 0.00003 0.00007 -0.00003 -0.00003
|
|
187 9D+2 0.00015 0.00001 0.00004 -0.00002 -0.00002
|
|
188 9D-2 -0.00006 -0.00002 -0.00008 0.00001 0.00001
|
|
31 32 33 34 35
|
|
31 12D+2 0.00041
|
|
32 12D-2 -0.00013 0.00029
|
|
33 13F 0 0.00000 0.00000 0.00000
|
|
34 13F+1 0.00005 0.00000 0.00000 0.00002
|
|
35 13F-1 -0.00002 -0.00002 0.00000 0.00001 0.00003
|
|
36 13F+2 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
37 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
38 13F+3 -0.00001 -0.00002 0.00000 -0.00001 -0.00001
|
|
39 13F-3 0.00000 -0.00005 0.00000 0.00001 0.00003
|
|
40 14F 0 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
41 14F+1 0.00017 0.00008 0.00000 0.00002 -0.00004
|
|
42 14F-1 -0.00003 0.00001 0.00000 0.00000 0.00001
|
|
43 14F+2 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
44 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
45 14F+3 -0.00005 -0.00002 0.00000 -0.00001 0.00001
|
|
46 14F-3 0.00001 -0.00004 0.00000 -0.00001 -0.00001
|
|
47 2 S 1S -0.00029 -0.00071 0.00000 -0.00002 0.00012
|
|
48 2S 0.00107 0.00264 0.00000 0.00007 -0.00046
|
|
49 3S -0.00174 -0.00460 0.00000 -0.00007 0.00081
|
|
50 4S -0.00023 -0.00056 0.00000 -0.00001 0.00007
|
|
51 5S -0.00076 -0.00254 0.00000 0.00012 0.00025
|
|
52 6S 0.00012 0.00040 0.00000 0.00013 -0.00002
|
|
53 7PX -0.00109 -0.00088 0.00000 0.00018 -0.00002
|
|
54 7PY 0.00043 0.00045 0.00000 0.00012 -0.00073
|
|
55 7PZ 0.00000 0.00000 0.00058 0.00000 0.00000
|
|
56 8PX 0.00080 0.00259 0.00000 -0.00028 -0.00001
|
|
57 8PY -0.00185 -0.00182 0.00000 -0.00007 0.00138
|
|
58 8PZ 0.00000 0.00000 -0.00112 0.00000 0.00000
|
|
59 9PX 0.00025 0.00105 0.00000 -0.00011 0.00001
|
|
60 9PY -0.00081 -0.00078 0.00000 -0.00004 0.00055
|
|
61 9PZ 0.00000 0.00000 -0.00046 0.00000 0.00000
|
|
62 10PX 0.00072 0.00103 0.00000 -0.00015 0.00004
|
|
63 10PY -0.00064 -0.00055 0.00000 -0.00003 0.00059
|
|
64 10PZ 0.00000 0.00000 -0.00081 0.00000 0.00000
|
|
65 11PX -0.00001 -0.00006 0.00000 -0.00001 0.00002
|
|
66 11PY 0.00006 0.00010 0.00000 0.00001 0.00000
|
|
67 11PZ 0.00000 0.00000 -0.00008 0.00000 0.00000
|
|
68 12D 0 -0.00007 -0.00001 0.00000 -0.00001 -0.00008
|
|
69 12D+1 0.00000 0.00000 -0.00001 0.00000 0.00000
|
|
70 12D-1 0.00000 0.00000 -0.00001 0.00000 0.00000
|
|
71 12D+2 0.00032 0.00043 0.00000 -0.00007 -0.00021
|
|
72 12D-2 -0.00036 0.00015 0.00000 -0.00001 0.00004
|
|
73 13D 0 -0.00002 0.00003 0.00000 0.00000 -0.00008
|
|
74 13D+1 0.00000 0.00000 -0.00001 0.00000 0.00000
|
|
75 13D-1 0.00000 0.00000 -0.00001 0.00000 0.00000
|
|
76 13D+2 0.00032 0.00041 0.00000 -0.00005 -0.00018
|
|
77 13D-2 -0.00032 0.00014 0.00000 0.00000 0.00003
|
|
78 14D 0 0.00000 -0.00011 0.00000 0.00000 -0.00001
|
|
79 14D+1 0.00000 0.00000 -0.00001 0.00000 0.00000
|
|
80 14D-1 0.00000 0.00000 -0.00001 0.00000 0.00000
|
|
81 14D+2 0.00003 0.00007 0.00000 -0.00002 -0.00003
|
|
82 14D-2 0.00009 -0.00010 0.00000 -0.00001 0.00001
|
|
83 15F 0 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
84 15F+1 -0.00001 -0.00007 0.00000 0.00001 0.00000
|
|
85 15F-1 0.00004 0.00008 0.00000 -0.00001 -0.00004
|
|
86 15F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
87 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
88 15F+3 0.00014 -0.00005 0.00000 0.00000 -0.00001
|
|
89 15F-3 0.00003 0.00005 0.00000 0.00000 -0.00004
|
|
90 16F 0 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
91 16F+1 0.00000 -0.00002 0.00000 0.00000 0.00000
|
|
92 16F-1 0.00000 -0.00001 0.00000 0.00000 -0.00001
|
|
93 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
94 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
95 16F+3 0.00001 0.00002 0.00000 0.00000 -0.00001
|
|
96 16F-3 -0.00003 -0.00001 0.00000 -0.00001 0.00000
|
|
97 3 H 1S 0.00051 0.00058 0.00000 -0.00012 -0.00004
|
|
98 2S 0.00087 0.00093 0.00000 -0.00018 -0.00004
|
|
99 3S 0.00079 0.00062 0.00000 0.00001 -0.00015
|
|
100 4S 0.00013 0.00012 0.00000 0.00002 -0.00003
|
|
101 5PX -0.00002 -0.00003 0.00000 0.00001 0.00000
|
|
102 5PY -0.00003 0.00000 0.00000 0.00000 0.00001
|
|
103 5PZ 0.00000 0.00000 -0.00001 0.00000 0.00000
|
|
104 6PX 0.00005 0.00004 0.00000 0.00001 -0.00002
|
|
105 6PY -0.00007 -0.00003 0.00000 0.00000 0.00004
|
|
106 6PZ 0.00000 0.00000 -0.00004 0.00000 0.00000
|
|
107 7PX -0.00002 -0.00001 0.00000 -0.00002 0.00003
|
|
108 7PY -0.00006 0.00018 0.00000 0.00001 -0.00002
|
|
109 7PZ 0.00000 0.00000 -0.00002 0.00000 0.00000
|
|
110 8D 0 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
111 8D+1 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
112 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
113 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
114 8D-2 0.00002 0.00001 0.00000 0.00000 -0.00001
|
|
115 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
116 9D+1 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
117 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
118 9D+2 -0.00002 -0.00005 0.00000 0.00000 0.00000
|
|
119 9D-2 0.00003 0.00000 0.00000 0.00000 -0.00001
|
|
120 4 H 1S 0.00380 -0.00158 0.00000 0.00053 0.00003
|
|
121 2S 0.00466 -0.00218 0.00000 0.00063 0.00008
|
|
122 3S -0.00064 0.00129 0.00000 0.00000 -0.00004
|
|
123 4S -0.00021 0.00003 0.00000 -0.00001 0.00003
|
|
124 5PX 0.00031 -0.00012 0.00000 0.00005 0.00001
|
|
125 5PY -0.00008 0.00009 0.00000 -0.00001 -0.00001
|
|
126 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
127 6PX 0.00002 0.00000 0.00000 0.00002 0.00002
|
|
128 6PY 0.00012 0.00017 0.00000 0.00003 -0.00006
|
|
129 6PZ 0.00000 0.00000 -0.00001 0.00000 0.00000
|
|
130 7PX -0.00055 0.00045 0.00000 -0.00006 0.00000
|
|
131 7PY 0.00018 -0.00006 0.00000 0.00003 0.00000
|
|
132 7PZ 0.00000 0.00000 -0.00001 0.00000 0.00000
|
|
133 8D 0 -0.00003 0.00002 0.00000 -0.00001 0.00000
|
|
134 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
135 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
136 8D+2 0.00006 0.00000 0.00000 0.00001 0.00000
|
|
137 8D-2 -0.00002 0.00004 0.00000 0.00000 -0.00001
|
|
138 9D 0 0.00005 -0.00001 0.00000 0.00002 0.00001
|
|
139 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
140 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
141 9D+2 -0.00003 0.00004 0.00000 -0.00001 -0.00002
|
|
142 9D-2 0.00007 0.00000 0.00000 0.00002 0.00000
|
|
143 5 H 1S -0.00043 0.00138 -0.00004 0.00044 0.00028
|
|
144 2S -0.00093 0.00157 -0.00003 0.00051 0.00043
|
|
145 3S 0.00006 -0.00082 0.00021 -0.00002 0.00009
|
|
146 4S 0.00002 -0.00009 0.00002 -0.00001 0.00000
|
|
147 5PX -0.00006 -0.00001 0.00000 -0.00002 -0.00001
|
|
148 5PY 0.00005 -0.00003 0.00000 -0.00001 -0.00002
|
|
149 5PZ 0.00004 -0.00013 0.00000 -0.00004 -0.00002
|
|
150 6PX -0.00020 0.00013 0.00000 -0.00001 0.00001
|
|
151 6PY 0.00017 0.00014 0.00001 0.00002 -0.00007
|
|
152 6PZ 0.00009 -0.00007 0.00000 -0.00002 -0.00003
|
|
153 7PX -0.00006 0.00024 -0.00002 0.00002 -0.00001
|
|
154 7PY -0.00007 0.00015 -0.00001 0.00003 0.00001
|
|
155 7PZ 0.00000 0.00024 -0.00004 0.00005 0.00001
|
|
156 8D 0 -0.00001 0.00004 0.00000 0.00001 0.00000
|
|
157 8D+1 0.00002 0.00001 0.00000 0.00001 0.00000
|
|
158 8D-1 -0.00003 0.00001 0.00000 0.00000 0.00001
|
|
159 8D+2 0.00003 0.00000 0.00000 0.00000 -0.00001
|
|
160 8D-2 0.00000 -0.00001 0.00000 0.00000 0.00000
|
|
161 9D 0 -0.00002 0.00002 0.00000 -0.00001 -0.00001
|
|
162 9D+1 0.00001 -0.00002 0.00000 -0.00001 -0.00001
|
|
163 9D-1 -0.00003 -0.00003 0.00000 -0.00001 0.00000
|
|
164 9D+2 0.00003 0.00001 0.00000 0.00000 -0.00001
|
|
165 9D-2 0.00000 -0.00003 0.00000 -0.00001 0.00000
|
|
166 6 H 1S -0.00043 0.00138 0.00004 0.00044 0.00028
|
|
167 2S -0.00093 0.00157 0.00003 0.00051 0.00043
|
|
168 3S 0.00006 -0.00082 -0.00021 -0.00002 0.00009
|
|
169 4S 0.00002 -0.00009 -0.00002 -0.00001 0.00000
|
|
170 5PX -0.00006 -0.00001 0.00000 -0.00002 -0.00001
|
|
171 5PY 0.00005 -0.00003 0.00000 -0.00001 -0.00002
|
|
172 5PZ -0.00004 0.00013 0.00000 0.00004 0.00002
|
|
173 6PX -0.00020 0.00013 0.00000 -0.00001 0.00001
|
|
174 6PY 0.00017 0.00014 -0.00001 0.00002 -0.00007
|
|
175 6PZ -0.00009 0.00007 0.00000 0.00002 0.00003
|
|
176 7PX -0.00006 0.00024 0.00002 0.00002 -0.00001
|
|
177 7PY -0.00007 0.00015 0.00001 0.00003 0.00001
|
|
178 7PZ 0.00000 -0.00024 -0.00004 -0.00005 -0.00001
|
|
179 8D 0 -0.00001 0.00004 0.00000 0.00001 0.00000
|
|
180 8D+1 -0.00002 -0.00001 0.00000 -0.00001 0.00000
|
|
181 8D-1 0.00003 -0.00001 0.00000 0.00000 -0.00001
|
|
182 8D+2 0.00003 0.00000 0.00000 0.00000 -0.00001
|
|
183 8D-2 0.00000 -0.00001 0.00000 0.00000 0.00000
|
|
184 9D 0 -0.00002 0.00002 0.00000 -0.00001 -0.00001
|
|
185 9D+1 -0.00001 0.00002 0.00000 0.00001 0.00001
|
|
186 9D-1 0.00003 0.00003 0.00000 0.00001 0.00000
|
|
187 9D+2 0.00003 0.00001 0.00000 0.00000 -0.00001
|
|
188 9D-2 0.00000 -0.00003 0.00000 -0.00001 0.00000
|
|
36 37 38 39 40
|
|
36 13F+2 0.00001
|
|
37 13F-2 0.00000 0.00000
|
|
38 13F+3 0.00000 0.00000 0.00001
|
|
39 13F-3 0.00000 0.00000 0.00000 0.00004
|
|
40 14F 0 0.00001 0.00000 0.00000 0.00000 0.00001
|
|
41 14F+1 0.00000 0.00000 -0.00001 -0.00006 0.00000
|
|
42 14F-1 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
43 14F+2 0.00001 0.00000 0.00000 0.00000 0.00001
|
|
44 14F-2 0.00000 0.00001 0.00000 0.00000 0.00000
|
|
45 14F+3 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
46 14F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
47 2 S 1S 0.00000 0.00000 0.00004 0.00013 0.00000
|
|
48 2S 0.00000 0.00000 -0.00016 -0.00050 0.00000
|
|
49 3S 0.00000 0.00000 0.00030 0.00094 0.00000
|
|
50 4S 0.00000 0.00000 0.00007 0.00009 0.00000
|
|
51 5S 0.00000 0.00000 0.00033 0.00024 0.00000
|
|
52 6S 0.00000 0.00000 -0.00001 -0.00006 0.00000
|
|
53 7PX 0.00000 0.00000 0.00051 0.00015 0.00000
|
|
54 7PY 0.00000 0.00000 0.00004 -0.00094 0.00000
|
|
55 7PZ 0.00071 0.00011 0.00000 0.00000 0.00001
|
|
56 8PX 0.00000 0.00000 -0.00107 -0.00026 0.00000
|
|
57 8PY 0.00000 0.00000 -0.00018 0.00183 0.00000
|
|
58 8PZ -0.00139 -0.00014 0.00000 0.00000 -0.00111
|
|
59 9PX 0.00000 0.00000 -0.00044 -0.00008 0.00000
|
|
60 9PY 0.00000 0.00000 -0.00007 0.00074 0.00000
|
|
61 9PZ -0.00057 -0.00006 0.00000 0.00000 -0.00049
|
|
62 10PX 0.00000 0.00000 -0.00055 -0.00002 0.00000
|
|
63 10PY 0.00000 0.00000 -0.00015 0.00078 0.00000
|
|
64 10PZ -0.00101 -0.00016 0.00000 0.00000 -0.00078
|
|
65 11PX 0.00000 0.00000 0.00000 0.00003 0.00000
|
|
66 11PY 0.00000 0.00000 -0.00003 0.00000 0.00000
|
|
67 11PZ -0.00010 -0.00002 0.00000 0.00000 -0.00007
|
|
68 12D 0 0.00000 0.00000 0.00008 -0.00009 0.00000
|
|
69 12D+1 -0.00001 0.00000 0.00000 0.00000 -0.00001
|
|
70 12D-1 -0.00002 0.00002 0.00000 0.00000 -0.00003
|
|
71 12D+2 0.00000 0.00000 -0.00008 -0.00028 0.00000
|
|
72 12D-2 0.00000 0.00000 0.00001 0.00002 0.00000
|
|
73 13D 0 0.00000 0.00000 0.00007 -0.00009 0.00000
|
|
74 13D+1 -0.00001 0.00000 0.00000 0.00000 -0.00001
|
|
75 13D-1 -0.00002 0.00002 0.00000 0.00000 -0.00002
|
|
76 13D+2 0.00000 0.00000 -0.00009 -0.00025 0.00000
|
|
77 13D-2 0.00000 0.00000 0.00001 0.00002 0.00000
|
|
78 14D 0 0.00000 0.00000 0.00003 -0.00001 0.00000
|
|
79 14D+1 -0.00001 0.00000 0.00000 0.00000 -0.00001
|
|
80 14D-1 -0.00002 -0.00001 0.00000 0.00000 -0.00001
|
|
81 14D+2 0.00000 0.00000 -0.00002 -0.00005 0.00000
|
|
82 14D-2 0.00000 0.00000 -0.00001 0.00003 0.00000
|
|
83 15F 0 0.00002 0.00000 0.00000 0.00000 0.00002
|
|
84 15F+1 0.00000 0.00000 0.00003 0.00001 0.00000
|
|
85 15F-1 0.00000 0.00000 0.00000 -0.00006 0.00000
|
|
86 15F+2 0.00000 -0.00001 0.00000 0.00000 0.00001
|
|
87 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
88 15F+3 0.00000 0.00000 -0.00002 -0.00001 0.00000
|
|
89 15F-3 0.00000 0.00000 0.00002 -0.00005 0.00000
|
|
90 16F 0 0.00001 0.00000 0.00000 0.00000 0.00001
|
|
91 16F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
92 16F-1 0.00000 0.00000 0.00000 -0.00001 0.00000
|
|
93 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
94 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
95 16F+3 0.00000 0.00000 0.00000 -0.00001 0.00000
|
|
96 16F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
97 3 H 1S 0.00000 0.00000 -0.00042 -0.00015 0.00000
|
|
98 2S 0.00000 0.00000 -0.00066 -0.00019 0.00000
|
|
99 3S 0.00000 0.00000 -0.00023 -0.00023 0.00000
|
|
100 4S 0.00000 0.00000 -0.00003 -0.00004 0.00000
|
|
101 5PX 0.00000 0.00000 0.00003 0.00001 0.00000
|
|
102 5PY 0.00000 0.00000 -0.00001 0.00001 0.00000
|
|
103 5PZ -0.00001 0.00000 0.00000 0.00000 -0.00001
|
|
104 6PX 0.00000 0.00000 0.00002 -0.00002 0.00000
|
|
105 6PY 0.00000 0.00000 -0.00001 0.00005 0.00000
|
|
106 6PZ -0.00005 -0.00001 0.00000 0.00000 -0.00004
|
|
107 7PX 0.00000 0.00000 -0.00003 0.00003 0.00000
|
|
108 7PY 0.00000 0.00000 0.00000 -0.00005 0.00000
|
|
109 7PZ -0.00003 -0.00001 0.00000 0.00000 -0.00002
|
|
110 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
111 8D+1 0.00001 0.00000 0.00000 0.00000 0.00001
|
|
112 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
113 8D+2 0.00000 0.00000 -0.00001 0.00000 0.00000
|
|
114 8D-2 0.00000 0.00000 0.00000 -0.00001 0.00000
|
|
115 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
116 9D+1 0.00001 0.00000 0.00000 0.00000 0.00001
|
|
117 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
118 9D+2 0.00000 0.00000 0.00002 0.00001 0.00000
|
|
119 9D-2 0.00000 0.00000 0.00000 -0.00001 0.00000
|
|
120 4 H 1S 0.00000 0.00000 -0.00013 0.00025 0.00000
|
|
121 2S 0.00000 0.00000 -0.00016 0.00038 0.00000
|
|
122 3S 0.00000 0.00000 -0.00014 -0.00020 0.00000
|
|
123 4S 0.00000 0.00000 0.00001 0.00003 0.00000
|
|
124 5PX 0.00000 0.00000 -0.00001 0.00002 0.00000
|
|
125 5PY 0.00000 0.00000 0.00000 -0.00003 0.00000
|
|
126 5PZ 0.00000 0.00001 0.00000 0.00000 -0.00001
|
|
127 6PX 0.00000 0.00000 -0.00001 0.00002 0.00000
|
|
128 6PY 0.00000 0.00000 0.00000 -0.00008 0.00000
|
|
129 6PZ -0.00001 0.00002 0.00000 0.00000 -0.00002
|
|
130 7PX 0.00000 0.00000 -0.00002 -0.00006 0.00000
|
|
131 7PY 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
132 7PZ -0.00001 0.00000 0.00000 0.00000 -0.00001
|
|
133 8D 0 0.00000 0.00000 0.00000 -0.00001 0.00000
|
|
134 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
135 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
136 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
137 8D-2 0.00000 0.00000 0.00000 -0.00001 0.00000
|
|
138 9D 0 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
139 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
140 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
141 9D+2 0.00000 0.00000 0.00000 -0.00003 0.00000
|
|
142 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
143 5 H 1S -0.00006 0.00022 -0.00019 0.00012 -0.00016
|
|
144 2S -0.00005 0.00030 -0.00021 0.00025 -0.00019
|
|
145 3S 0.00027 -0.00001 0.00011 0.00018 0.00024
|
|
146 4S 0.00002 -0.00001 0.00001 0.00001 0.00002
|
|
147 5PX 0.00000 -0.00001 0.00001 -0.00001 0.00001
|
|
148 5PY 0.00001 -0.00001 0.00001 -0.00002 0.00001
|
|
149 5PZ 0.00000 -0.00001 0.00002 -0.00001 0.00001
|
|
150 6PX 0.00000 -0.00001 0.00000 -0.00001 0.00001
|
|
151 6PY 0.00001 0.00000 0.00000 -0.00010 0.00001
|
|
152 6PZ 0.00000 0.00001 0.00001 -0.00002 -0.00001
|
|
153 7PX -0.00003 0.00001 -0.00002 -0.00004 -0.00003
|
|
154 7PY -0.00001 0.00001 -0.00002 0.00000 -0.00002
|
|
155 7PZ -0.00005 0.00002 -0.00003 -0.00002 -0.00005
|
|
156 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
157 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
158 8D-1 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
159 8D+2 0.00000 0.00000 0.00000 -0.00001 0.00000
|
|
160 8D-2 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
161 9D 0 0.00000 0.00000 0.00000 -0.00002 0.00000
|
|
162 9D+1 0.00000 0.00000 0.00001 -0.00001 0.00000
|
|
163 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
164 9D+2 0.00000 0.00000 0.00000 -0.00001 0.00000
|
|
165 9D-2 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
166 6 H 1S 0.00006 -0.00022 -0.00019 0.00012 0.00016
|
|
167 2S 0.00005 -0.00030 -0.00021 0.00025 0.00019
|
|
168 3S -0.00027 0.00001 0.00011 0.00018 -0.00024
|
|
169 4S -0.00002 0.00001 0.00001 0.00001 -0.00002
|
|
170 5PX 0.00000 0.00001 0.00001 -0.00001 -0.00001
|
|
171 5PY -0.00001 0.00001 0.00001 -0.00002 -0.00001
|
|
172 5PZ 0.00000 -0.00001 -0.00002 0.00001 0.00001
|
|
173 6PX 0.00000 0.00001 0.00000 -0.00001 -0.00001
|
|
174 6PY -0.00001 0.00000 0.00000 -0.00010 -0.00001
|
|
175 6PZ 0.00000 0.00001 -0.00001 0.00002 -0.00001
|
|
176 7PX 0.00003 -0.00001 -0.00002 -0.00004 0.00003
|
|
177 7PY 0.00001 -0.00001 -0.00002 0.00000 0.00002
|
|
178 7PZ -0.00005 0.00002 0.00003 0.00002 -0.00005
|
|
179 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
180 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
181 8D-1 0.00000 0.00000 0.00000 -0.00001 0.00000
|
|
182 8D+2 0.00000 0.00000 0.00000 -0.00001 0.00000
|
|
183 8D-2 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
184 9D 0 0.00000 0.00000 0.00000 -0.00002 0.00000
|
|
185 9D+1 0.00000 0.00000 -0.00001 0.00001 0.00000
|
|
186 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
187 9D+2 0.00000 0.00000 0.00000 -0.00001 0.00000
|
|
188 9D-2 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
41 42 43 44 45
|
|
41 14F+1 0.00021
|
|
42 14F-1 -0.00002 0.00001
|
|
43 14F+2 0.00000 0.00000 0.00001
|
|
44 14F-2 0.00000 0.00000 0.00001 0.00001
|
|
45 14F+3 -0.00005 0.00000 0.00000 0.00000 0.00002
|
|
46 14F-3 -0.00001 -0.00001 0.00000 0.00000 0.00000
|
|
47 2 S 1S -0.00051 -0.00010 0.00000 0.00000 0.00028
|
|
48 2S 0.00179 0.00026 0.00000 0.00000 -0.00098
|
|
49 3S -0.00228 -0.00044 0.00000 0.00000 0.00148
|
|
50 4S -0.00019 -0.00004 0.00000 0.00000 0.00016
|
|
51 5S -0.00034 -0.00028 0.00000 0.00000 0.00084
|
|
52 6S 0.00038 0.00004 0.00000 0.00000 -0.00007
|
|
53 7PX -0.00031 0.00039 0.00000 0.00000 -0.00102
|
|
54 7PY 0.00462 0.00016 0.00000 0.00000 -0.00113
|
|
55 7PZ 0.00000 0.00000 0.00002 0.00008 0.00000
|
|
56 8PX 0.00032 -0.00059 0.00000 0.00000 -0.00034
|
|
57 8PY -0.00462 0.00048 0.00000 0.00000 0.00056
|
|
58 8PZ 0.00000 0.00000 -0.00174 -0.00040 0.00000
|
|
59 9PX 0.00006 -0.00023 0.00000 0.00000 -0.00021
|
|
60 9PY -0.00173 0.00022 0.00000 0.00000 0.00017
|
|
61 9PZ 0.00000 0.00000 -0.00077 -0.00018 0.00000
|
|
62 10PX -0.00006 -0.00028 0.00000 0.00000 -0.00023
|
|
63 10PY -0.00194 0.00019 0.00000 0.00000 0.00018
|
|
64 10PZ 0.00000 0.00000 -0.00134 -0.00043 0.00000
|
|
65 11PX -0.00009 0.00000 0.00000 0.00000 0.00001
|
|
66 11PY 0.00002 0.00000 0.00000 0.00000 -0.00003
|
|
67 11PZ 0.00000 0.00000 -0.00014 -0.00006 0.00000
|
|
68 12D 0 0.00016 0.00002 0.00000 0.00000 -0.00001
|
|
69 12D+1 0.00000 0.00000 -0.00001 0.00000 0.00000
|
|
70 12D-1 0.00000 0.00000 0.00001 0.00006 0.00000
|
|
71 12D+2 0.00059 -0.00014 0.00000 0.00000 -0.00010
|
|
72 12D-2 -0.00014 0.00005 0.00000 0.00000 0.00005
|
|
73 13D 0 0.00020 0.00002 0.00000 0.00000 -0.00002
|
|
74 13D+1 0.00000 0.00000 -0.00002 0.00000 0.00000
|
|
75 13D-1 0.00000 0.00000 0.00001 0.00005 0.00000
|
|
76 13D+2 0.00054 -0.00013 0.00000 0.00000 -0.00010
|
|
77 13D-2 -0.00012 0.00005 0.00000 0.00000 0.00004
|
|
78 14D 0 0.00003 0.00000 0.00000 0.00000 0.00002
|
|
79 14D+1 0.00000 0.00000 -0.00001 -0.00001 0.00000
|
|
80 14D-1 0.00000 0.00000 -0.00003 -0.00002 0.00000
|
|
81 14D+2 0.00007 -0.00003 0.00000 0.00000 -0.00001
|
|
82 14D-2 -0.00006 -0.00001 0.00000 0.00000 -0.00001
|
|
83 15F 0 0.00000 0.00000 0.00002 -0.00001 0.00000
|
|
84 15F+1 -0.00002 0.00002 0.00000 0.00000 0.00000
|
|
85 15F-1 0.00012 -0.00001 0.00000 0.00000 -0.00002
|
|
86 15F+2 0.00000 0.00000 -0.00001 -0.00002 0.00000
|
|
87 15F-2 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
88 15F+3 0.00004 -0.00003 0.00000 0.00000 -0.00001
|
|
89 15F-3 0.00011 0.00000 0.00000 0.00000 -0.00002
|
|
90 16F 0 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
91 16F+1 -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
92 16F-1 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
93 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
94 16F-2 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
95 16F+3 0.00003 -0.00001 0.00000 0.00000 0.00000
|
|
96 16F-3 -0.00002 0.00000 0.00000 0.00000 0.00001
|
|
97 3 H 1S 0.00029 -0.00037 0.00000 0.00000 -0.00004
|
|
98 2S 0.00039 -0.00056 0.00000 0.00000 -0.00011
|
|
99 3S 0.00071 -0.00021 0.00000 0.00000 -0.00019
|
|
100 4S 0.00015 -0.00002 0.00000 0.00000 -0.00004
|
|
101 5PX -0.00001 0.00003 0.00000 0.00000 -0.00001
|
|
102 5PY -0.00005 0.00000 0.00000 0.00000 0.00001
|
|
103 5PZ 0.00000 0.00000 -0.00002 0.00000 0.00000
|
|
104 6PX 0.00007 0.00002 0.00000 0.00000 -0.00003
|
|
105 6PY -0.00013 0.00001 0.00000 0.00000 0.00001
|
|
106 6PZ 0.00000 0.00000 -0.00007 -0.00002 0.00000
|
|
107 7PX -0.00009 -0.00002 0.00000 0.00000 0.00002
|
|
108 7PY 0.00011 0.00001 0.00000 0.00000 -0.00001
|
|
109 7PZ 0.00000 0.00000 -0.00004 -0.00002 0.00000
|
|
110 8D 0 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
111 8D+1 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
112 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
113 8D+2 0.00000 -0.00001 0.00000 0.00000 0.00000
|
|
114 8D-2 0.00003 0.00000 0.00000 0.00000 -0.00001
|
|
115 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
116 9D+1 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
117 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
118 9D+2 -0.00002 0.00001 0.00000 0.00000 0.00001
|
|
119 9D-2 0.00002 -0.00001 0.00000 0.00000 0.00000
|
|
120 4 H 1S 0.00122 -0.00026 0.00000 0.00000 -0.00045
|
|
121 2S 0.00128 -0.00034 0.00000 0.00000 -0.00050
|
|
122 3S 0.00029 0.00002 0.00000 0.00000 -0.00004
|
|
123 4S -0.00012 0.00003 0.00000 0.00000 0.00003
|
|
124 5PX 0.00011 -0.00002 0.00000 0.00000 -0.00004
|
|
125 5PY 0.00002 0.00000 0.00000 0.00000 0.00000
|
|
126 5PZ 0.00000 0.00000 0.00001 0.00002 0.00000
|
|
127 6PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
128 6PY 0.00025 -0.00001 0.00000 0.00000 -0.00005
|
|
129 6PZ 0.00000 0.00000 0.00001 0.00004 0.00000
|
|
130 7PX -0.00009 0.00004 0.00000 0.00000 0.00004
|
|
131 7PY 0.00006 -0.00001 0.00000 0.00000 -0.00003
|
|
132 7PZ 0.00000 0.00000 -0.00001 0.00000 0.00000
|
|
133 8D 0 -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
134 8D+1 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
135 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
136 8D+2 0.00004 0.00000 0.00000 0.00000 -0.00001
|
|
137 8D-2 0.00002 0.00000 0.00000 0.00000 0.00000
|
|
138 9D 0 0.00002 0.00000 0.00000 0.00000 0.00000
|
|
139 9D+1 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
140 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
141 9D+2 0.00003 0.00000 0.00000 0.00000 0.00000
|
|
142 9D-2 0.00005 0.00000 0.00000 0.00000 -0.00001
|
|
143 5 H 1S 0.00045 0.00016 0.00022 0.00052 -0.00001
|
|
144 2S 0.00017 0.00024 0.00032 0.00070 0.00009
|
|
145 3S -0.00042 0.00002 0.00030 0.00000 0.00011
|
|
146 4S -0.00003 -0.00001 0.00001 -0.00002 0.00001
|
|
147 5PX -0.00004 0.00000 -0.00001 -0.00002 0.00001
|
|
148 5PY 0.00004 -0.00001 0.00000 -0.00002 -0.00001
|
|
149 5PZ -0.00004 -0.00001 -0.00001 -0.00003 0.00000
|
|
150 6PX -0.00004 0.00002 -0.00001 -0.00002 0.00002
|
|
151 6PY 0.00028 -0.00002 0.00000 -0.00001 -0.00005
|
|
152 6PZ 0.00003 -0.00002 0.00000 0.00001 -0.00001
|
|
153 7PX 0.00013 0.00000 -0.00001 0.00003 -0.00001
|
|
154 7PY 0.00004 0.00001 0.00000 0.00003 0.00000
|
|
155 7PZ 0.00013 0.00001 -0.00003 0.00005 -0.00002
|
|
156 8D 0 0.00002 0.00000 0.00000 0.00000 0.00000
|
|
157 8D+1 0.00002 0.00000 0.00000 0.00001 0.00000
|
|
158 8D-1 -0.00002 0.00000 0.00000 0.00001 0.00001
|
|
159 8D+2 0.00003 0.00000 0.00000 0.00000 -0.00001
|
|
160 8D-2 -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
161 9D 0 0.00002 0.00000 0.00000 -0.00001 0.00000
|
|
162 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
163 9D-1 -0.00004 0.00000 0.00000 -0.00001 0.00001
|
|
164 9D+2 0.00004 0.00000 0.00000 0.00000 -0.00001
|
|
165 9D-2 -0.00002 0.00000 0.00000 0.00000 0.00000
|
|
166 6 H 1S 0.00045 0.00016 -0.00022 -0.00052 -0.00001
|
|
167 2S 0.00017 0.00024 -0.00032 -0.00070 0.00009
|
|
168 3S -0.00042 0.00002 -0.00030 0.00000 0.00011
|
|
169 4S -0.00003 -0.00001 -0.00001 0.00002 0.00001
|
|
170 5PX -0.00004 0.00000 0.00001 0.00002 0.00001
|
|
171 5PY 0.00004 -0.00001 0.00000 0.00002 -0.00001
|
|
172 5PZ 0.00004 0.00001 -0.00001 -0.00003 0.00000
|
|
173 6PX -0.00004 0.00002 0.00001 0.00002 0.00002
|
|
174 6PY 0.00028 -0.00002 0.00000 0.00001 -0.00005
|
|
175 6PZ -0.00003 0.00002 0.00000 0.00001 0.00001
|
|
176 7PX 0.00013 0.00000 0.00001 -0.00003 -0.00001
|
|
177 7PY 0.00004 0.00001 0.00000 -0.00003 0.00000
|
|
178 7PZ -0.00013 -0.00001 -0.00003 0.00005 0.00002
|
|
179 8D 0 0.00002 0.00000 0.00000 0.00000 0.00000
|
|
180 8D+1 -0.00002 0.00000 0.00000 0.00001 0.00000
|
|
181 8D-1 0.00002 0.00000 0.00000 0.00001 -0.00001
|
|
182 8D+2 0.00003 0.00000 0.00000 0.00000 -0.00001
|
|
183 8D-2 -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
184 9D 0 0.00002 0.00000 0.00000 0.00001 0.00000
|
|
185 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
186 9D-1 0.00004 0.00000 0.00000 -0.00001 -0.00001
|
|
187 9D+2 0.00004 0.00000 0.00000 0.00000 -0.00001
|
|
188 9D-2 -0.00002 0.00000 0.00000 0.00000 0.00000
|
|
46 47 48 49 50
|
|
46 14F-3 0.00002
|
|
47 2 S 1S 0.00013 1.08102
|
|
48 2S -0.00056 -0.29203 1.05698
|
|
49 3S 0.00108 0.04704 -0.17652 0.33121
|
|
50 4S 0.00012 -0.01469 0.04827 0.04075 0.01022
|
|
51 5S 0.00049 0.02801 -0.10694 0.21892 0.02856
|
|
52 6S -0.00014 -0.00092 0.00353 -0.00840 -0.00093
|
|
53 7PX -0.00057 0.00260 -0.01111 0.01978 0.00617
|
|
54 7PY 0.00061 0.00224 -0.00882 0.01836 0.00492
|
|
55 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
56 8PX 0.00057 -0.00561 0.02306 -0.04993 -0.01008
|
|
57 8PY 0.00000 -0.00443 0.01770 -0.04132 -0.00746
|
|
58 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
59 9PX 0.00022 -0.00279 0.01063 -0.02029 -0.00389
|
|
60 9PY 0.00005 -0.00243 0.00901 -0.01755 -0.00291
|
|
61 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
62 10PX 0.00031 -0.00602 0.02287 -0.04212 -0.00718
|
|
63 10PY -0.00001 -0.00332 0.01314 -0.03174 -0.00530
|
|
64 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
65 11PX 0.00001 -0.00029 0.00103 -0.00149 -0.00021
|
|
66 11PY -0.00001 -0.00072 0.00280 -0.00635 -0.00091
|
|
67 11PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
68 12D 0 -0.00004 -0.00007 -0.00009 0.00231 0.00070
|
|
69 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
70 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
71 12D+2 0.00010 0.00003 0.00001 0.00092 0.00001
|
|
72 12D-2 -0.00005 -0.00006 0.00020 0.00018 0.00008
|
|
73 13D 0 -0.00005 0.00004 -0.00023 -0.00046 0.00023
|
|
74 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
75 13D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
76 13D+2 0.00009 0.00011 -0.00035 0.00089 -0.00004
|
|
77 13D-2 -0.00005 -0.00005 0.00017 -0.00088 -0.00006
|
|
78 14D 0 0.00001 0.00087 -0.00322 0.00613 0.00086
|
|
79 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
80 14D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
81 14D+2 0.00003 -0.00022 0.00069 0.00023 0.00004
|
|
82 14D-2 0.00003 -0.00016 0.00057 -0.00104 -0.00021
|
|
83 15F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
84 15F+1 -0.00002 -0.00012 0.00040 -0.00089 -0.00002
|
|
85 15F-1 0.00000 -0.00007 0.00025 -0.00040 0.00000
|
|
86 15F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
87 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
88 15F+3 0.00004 0.00015 -0.00053 0.00124 0.00008
|
|
89 15F-3 -0.00001 -0.00025 0.00090 -0.00180 -0.00014
|
|
90 16F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
91 16F+1 0.00000 0.00008 -0.00030 0.00068 0.00010
|
|
92 16F-1 0.00000 -0.00001 0.00003 0.00025 0.00006
|
|
93 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
94 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
95 16F+3 0.00000 0.00009 -0.00027 0.00016 0.00000
|
|
96 16F-3 0.00001 0.00013 -0.00046 0.00125 0.00016
|
|
97 3 H 1S 0.00041 0.00312 -0.01144 0.02227 0.00132
|
|
98 2S 0.00060 0.00313 -0.01181 0.02315 0.00058
|
|
99 3S 0.00013 0.00017 0.00033 -0.00872 -0.00202
|
|
100 4S 0.00000 -0.00025 0.00103 -0.00285 -0.00043
|
|
101 5PX -0.00004 -0.00049 0.00185 -0.00358 -0.00034
|
|
102 5PY 0.00001 0.00001 -0.00002 0.00001 -0.00004
|
|
103 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
104 6PX -0.00003 -0.00072 0.00304 -0.00617 -0.00070
|
|
105 6PY 0.00000 -0.00015 0.00052 -0.00117 -0.00022
|
|
106 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
107 7PX 0.00004 -0.00005 0.00012 0.00184 0.00015
|
|
108 7PY -0.00003 -0.00023 0.00089 -0.00203 -0.00020
|
|
109 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
110 8D 0 0.00000 -0.00009 0.00035 -0.00052 -0.00004
|
|
111 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
112 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
113 8D+2 0.00001 0.00016 -0.00060 0.00090 0.00008
|
|
114 8D-2 0.00000 -0.00002 0.00007 -0.00010 0.00001
|
|
115 9D 0 0.00000 0.00004 -0.00009 0.00018 0.00001
|
|
116 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
117 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
118 9D+2 -0.00001 0.00000 -0.00012 0.00025 0.00008
|
|
119 9D-2 0.00001 0.00007 -0.00022 0.00046 0.00005
|
|
120 4 H 1S 0.00011 -0.00104 0.00406 -0.00823 -0.00145
|
|
121 2S 0.00018 0.00005 0.00060 -0.00506 -0.00137
|
|
122 3S -0.00012 -0.00036 0.00247 -0.01175 -0.00192
|
|
123 4S -0.00002 0.00002 -0.00006 -0.00031 -0.00002
|
|
124 5PX 0.00000 -0.00007 0.00029 -0.00067 -0.00012
|
|
125 5PY -0.00001 -0.00004 0.00015 -0.00020 0.00000
|
|
126 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
127 6PX -0.00001 0.00011 -0.00032 0.00035 0.00002
|
|
128 6PY -0.00003 -0.00057 0.00208 -0.00321 -0.00029
|
|
129 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
130 7PX -0.00004 -0.00013 0.00066 -0.00231 -0.00034
|
|
131 7PY 0.00000 -0.00049 0.00174 -0.00244 -0.00028
|
|
132 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
133 8D 0 0.00000 -0.00001 0.00005 -0.00006 0.00000
|
|
134 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
135 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
136 8D+2 0.00000 -0.00006 0.00022 -0.00035 -0.00004
|
|
137 8D-2 0.00000 -0.00005 0.00019 -0.00026 -0.00002
|
|
138 9D 0 0.00000 0.00006 -0.00020 0.00032 0.00003
|
|
139 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
140 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
141 9D+2 0.00000 -0.00006 0.00020 -0.00007 0.00002
|
|
142 9D-2 -0.00001 -0.00006 0.00026 -0.00066 -0.00008
|
|
143 5 H 1S -0.00040 -0.00048 0.00179 -0.00370 -0.00056
|
|
144 2S -0.00048 0.00075 -0.00250 0.00216 0.00001
|
|
145 3S 0.00006 0.00200 -0.00743 0.01402 0.00185
|
|
146 4S 0.00002 0.00026 -0.00100 0.00226 0.00030
|
|
147 5PX 0.00001 0.00004 -0.00014 0.00027 0.00004
|
|
148 5PY 0.00001 -0.00001 0.00002 -0.00002 0.00002
|
|
149 5PZ 0.00004 0.00005 -0.00020 0.00044 0.00007
|
|
150 6PX -0.00002 -0.00002 0.00002 0.00003 0.00002
|
|
151 6PY -0.00002 -0.00041 0.00150 -0.00192 -0.00011
|
|
152 6PZ 0.00002 -0.00009 0.00030 -0.00040 -0.00003
|
|
153 7PX -0.00003 -0.00003 0.00019 -0.00064 -0.00009
|
|
154 7PY -0.00003 -0.00019 0.00069 -0.00129 -0.00016
|
|
155 7PZ -0.00005 -0.00047 0.00175 -0.00323 -0.00042
|
|
156 8D 0 -0.00001 -0.00003 0.00010 -0.00014 -0.00001
|
|
157 8D+1 0.00000 -0.00001 0.00005 -0.00009 -0.00001
|
|
158 8D-1 0.00000 0.00003 -0.00011 0.00012 0.00000
|
|
159 8D+2 0.00000 -0.00004 0.00015 -0.00019 -0.00001
|
|
160 8D-2 0.00000 0.00001 -0.00004 0.00005 0.00000
|
|
161 9D 0 0.00000 -0.00007 0.00025 -0.00024 0.00000
|
|
162 9D+1 0.00001 -0.00005 0.00016 -0.00021 -0.00001
|
|
163 9D-1 0.00001 0.00003 -0.00012 0.00025 0.00003
|
|
164 9D+2 0.00000 -0.00011 0.00038 -0.00036 -0.00002
|
|
165 9D-2 0.00001 0.00000 -0.00003 0.00005 0.00000
|
|
166 6 H 1S -0.00040 -0.00048 0.00179 -0.00370 -0.00056
|
|
167 2S -0.00048 0.00075 -0.00250 0.00216 0.00001
|
|
168 3S 0.00006 0.00200 -0.00743 0.01402 0.00185
|
|
169 4S 0.00002 0.00026 -0.00100 0.00226 0.00030
|
|
170 5PX 0.00001 0.00004 -0.00014 0.00027 0.00004
|
|
171 5PY 0.00001 -0.00001 0.00002 -0.00002 0.00002
|
|
172 5PZ -0.00004 -0.00005 0.00020 -0.00044 -0.00007
|
|
173 6PX -0.00002 -0.00002 0.00002 0.00003 0.00002
|
|
174 6PY -0.00002 -0.00041 0.00150 -0.00192 -0.00011
|
|
175 6PZ -0.00002 0.00009 -0.00030 0.00040 0.00003
|
|
176 7PX -0.00003 -0.00003 0.00019 -0.00064 -0.00009
|
|
177 7PY -0.00003 -0.00019 0.00069 -0.00129 -0.00016
|
|
178 7PZ 0.00005 0.00047 -0.00175 0.00323 0.00042
|
|
179 8D 0 -0.00001 -0.00003 0.00010 -0.00014 -0.00001
|
|
180 8D+1 0.00000 0.00001 -0.00005 0.00009 0.00001
|
|
181 8D-1 0.00000 -0.00003 0.00011 -0.00012 0.00000
|
|
182 8D+2 0.00000 -0.00004 0.00015 -0.00019 -0.00001
|
|
183 8D-2 0.00000 0.00001 -0.00004 0.00005 0.00000
|
|
184 9D 0 0.00000 -0.00007 0.00025 -0.00024 0.00000
|
|
185 9D+1 -0.00001 0.00005 -0.00016 0.00021 0.00001
|
|
186 9D-1 -0.00001 -0.00003 0.00012 -0.00025 -0.00003
|
|
187 9D+2 0.00000 -0.00011 0.00038 -0.00036 -0.00002
|
|
188 9D-2 0.00001 0.00000 -0.00003 0.00005 0.00000
|
|
51 52 53 54 55
|
|
51 5S 0.15858
|
|
52 6S -0.00174 0.00171
|
|
53 7PX 0.02258 0.00423 0.98025
|
|
54 7PY 0.01672 0.00266 0.00504 0.97794
|
|
55 7PZ 0.00000 0.00000 0.00000 0.00000 1.00166
|
|
56 8PX -0.06006 -0.00524 -0.09110 -0.00863 0.00000
|
|
57 8PY -0.06511 -0.00801 -0.00945 -0.08613 0.00000
|
|
58 8PZ 0.00000 0.00000 0.00000 0.00000 -0.13317
|
|
59 9PX -0.02512 -0.00215 0.02902 -0.00521 0.00000
|
|
60 9PY -0.02818 -0.00346 -0.00514 0.03146 0.00000
|
|
61 9PZ 0.00000 0.00000 0.00000 0.00000 0.00643
|
|
62 10PX -0.04513 -0.00341 -0.04067 -0.01244 0.00000
|
|
63 10PY -0.03921 -0.00355 -0.01093 -0.03854 0.00000
|
|
64 10PZ 0.00000 0.00000 0.00000 0.00000 -0.09240
|
|
65 11PX -0.00189 -0.00025 -0.00025 -0.00126 0.00000
|
|
66 11PY -0.00486 0.00005 -0.00155 -0.00108 0.00000
|
|
67 11PZ 0.00000 0.00000 0.00000 0.00000 -0.00972
|
|
68 12D 0 0.00470 0.00064 0.00648 0.00488 0.00000
|
|
69 12D+1 0.00000 0.00000 0.00000 0.00000 -0.00236
|
|
70 12D-1 0.00000 0.00000 0.00000 0.00000 -0.00201
|
|
71 12D+2 0.00194 0.00007 -0.01094 0.01139 0.00000
|
|
72 12D-2 0.00029 0.00021 -0.00056 -0.00282 0.00000
|
|
73 13D 0 0.00301 0.00078 0.00456 0.00322 0.00000
|
|
74 13D+1 0.00000 0.00000 0.00000 0.00000 -0.00060
|
|
75 13D-1 0.00000 0.00000 0.00000 0.00000 0.00027
|
|
76 13D+2 0.00176 0.00011 -0.00684 0.00683 0.00000
|
|
77 13D-2 -0.00033 0.00024 0.00227 -0.00014 0.00000
|
|
78 14D 0 0.00502 0.00004 0.00193 0.00175 0.00000
|
|
79 14D+1 0.00000 0.00000 0.00000 0.00000 -0.00088
|
|
80 14D-1 0.00000 0.00000 0.00000 0.00000 -0.00127
|
|
81 14D+2 -0.00005 -0.00014 -0.00144 0.00155 0.00000
|
|
82 14D-2 -0.00185 -0.00035 -0.00046 -0.00165 0.00000
|
|
83 15F 0 0.00000 0.00000 0.00000 0.00000 0.00132
|
|
84 15F+1 -0.00003 0.00015 0.00208 -0.00029 0.00000
|
|
85 15F-1 0.00061 0.00020 -0.00017 0.00182 0.00000
|
|
86 15F+2 0.00000 0.00000 0.00000 0.00000 0.00003
|
|
87 15F-2 0.00000 0.00000 0.00000 0.00000 0.00037
|
|
88 15F+3 0.00021 -0.00025 -0.00166 0.00034 0.00000
|
|
89 15F-3 -0.00017 0.00026 0.00066 0.00155 0.00000
|
|
90 16F 0 0.00000 0.00000 0.00000 0.00000 0.00159
|
|
91 16F+1 0.00051 -0.00001 0.00107 -0.00017 0.00000
|
|
92 16F-1 0.00030 0.00001 0.00034 0.00083 0.00000
|
|
93 16F+2 0.00000 0.00000 0.00000 0.00000 0.00001
|
|
94 16F-2 0.00000 0.00000 0.00000 0.00000 0.00038
|
|
95 16F+3 0.00019 0.00001 -0.00088 0.00073 0.00000
|
|
96 16F-3 0.00065 -0.00010 -0.00062 -0.00006 0.00000
|
|
97 3 H 1S 0.00590 -0.00280 -0.03192 0.00445 0.00000
|
|
98 2S 0.00031 -0.00439 -0.04530 0.00301 0.00000
|
|
99 3S -0.00756 -0.00017 -0.01836 0.00777 0.00000
|
|
100 4S -0.00151 0.00022 -0.00150 0.00108 0.00000
|
|
101 5PX -0.00174 0.00025 0.00250 -0.00051 0.00000
|
|
102 5PY -0.00048 -0.00012 -0.00060 -0.00075 0.00000
|
|
103 5PZ 0.00000 0.00000 0.00000 0.00000 -0.00146
|
|
104 6PX -0.00337 0.00031 -0.00087 0.00041 0.00000
|
|
105 6PY -0.00192 -0.00023 0.00047 -0.00110 0.00000
|
|
106 6PZ 0.00000 0.00000 0.00000 0.00000 -0.00388
|
|
107 7PX -0.00032 -0.00046 -0.00244 -0.00214 0.00000
|
|
108 7PY -0.00024 0.00044 0.00056 0.00230 0.00000
|
|
109 7PZ 0.00000 0.00000 0.00000 0.00000 -0.00229
|
|
110 8D 0 -0.00018 0.00005 0.00043 0.00000 0.00000
|
|
111 8D+1 0.00000 0.00000 0.00000 0.00000 0.00071
|
|
112 8D-1 0.00000 0.00000 0.00000 0.00000 -0.00007
|
|
113 8D+2 0.00047 -0.00005 -0.00062 0.00014 0.00000
|
|
114 8D-2 0.00021 0.00007 0.00021 0.00044 0.00000
|
|
115 9D 0 0.00003 -0.00003 -0.00018 -0.00017 0.00000
|
|
116 9D+1 0.00000 0.00000 0.00000 0.00000 0.00007
|
|
117 9D-1 0.00000 0.00000 0.00000 0.00000 0.00007
|
|
118 9D+2 0.00040 0.00004 0.00120 -0.00024 0.00000
|
|
119 9D-2 0.00031 -0.00003 -0.00072 -0.00056 0.00000
|
|
120 4 H 1S -0.00439 0.00056 -0.00189 0.00282 0.00000
|
|
121 2S -0.00356 0.00002 -0.00374 -0.00556 0.00000
|
|
122 3S -0.00660 0.00136 0.00144 -0.00310 0.00000
|
|
123 4S -0.00039 0.00003 0.00113 -0.00128 0.00000
|
|
124 5PX -0.00023 0.00012 -0.00007 0.00023 0.00000
|
|
125 5PY 0.00019 0.00011 -0.00021 0.00068 0.00000
|
|
126 5PZ 0.00000 0.00000 0.00000 0.00000 0.00003
|
|
127 6PX 0.00028 0.00008 -0.00040 -0.00102 0.00000
|
|
128 6PY -0.00041 0.00058 0.00066 0.00392 0.00000
|
|
129 6PZ 0.00000 0.00000 0.00000 0.00000 0.00008
|
|
130 7PX -0.00159 0.00021 0.00055 -0.00150 0.00000
|
|
131 7PY -0.00156 0.00008 -0.00080 0.00051 0.00000
|
|
132 7PZ 0.00000 0.00000 0.00000 0.00000 0.00059
|
|
133 8D 0 -0.00002 0.00000 0.00000 0.00010 0.00000
|
|
134 8D+1 0.00000 0.00000 0.00000 0.00000 0.00002
|
|
135 8D-1 0.00000 0.00000 0.00000 0.00000 0.00008
|
|
136 8D+2 -0.00007 0.00006 -0.00014 0.00038 0.00000
|
|
137 8D-2 0.00003 0.00007 -0.00005 0.00048 0.00000
|
|
138 9D 0 0.00031 0.00006 -0.00014 0.00021 0.00000
|
|
139 9D+1 0.00000 0.00000 0.00000 0.00000 0.00003
|
|
140 9D-1 0.00000 0.00000 0.00000 0.00000 -0.00008
|
|
141 9D+2 0.00015 0.00001 -0.00051 0.00101 0.00000
|
|
142 9D-2 -0.00012 0.00013 0.00055 0.00013 0.00000
|
|
143 5 H 1S 0.00343 0.00410 0.00092 0.00453 0.00426
|
|
144 2S 0.00699 0.00446 0.00164 -0.00363 0.00637
|
|
145 3S 0.00814 -0.00102 0.00168 -0.00934 0.00907
|
|
146 4S 0.00135 -0.00016 0.00018 -0.00044 0.00109
|
|
147 5PX -0.00005 -0.00014 0.00000 -0.00021 -0.00009
|
|
148 5PY 0.00018 -0.00003 0.00007 0.00054 0.00024
|
|
149 5PZ -0.00022 -0.00036 -0.00001 -0.00036 -0.00011
|
|
150 6PX 0.00014 0.00010 0.00009 0.00009 0.00003
|
|
151 6PY 0.00066 0.00056 0.00009 0.00505 0.00048
|
|
152 6PZ -0.00033 -0.00014 -0.00007 0.00074 0.00020
|
|
153 7PX 0.00060 0.00049 0.00036 0.00205 -0.00095
|
|
154 7PY -0.00045 0.00032 0.00033 0.00172 0.00075
|
|
155 7PZ -0.00133 0.00056 -0.00058 0.00218 -0.00055
|
|
156 8D 0 0.00010 0.00009 0.00005 0.00031 0.00009
|
|
157 8D+1 0.00004 0.00005 0.00000 0.00012 0.00006
|
|
158 8D-1 -0.00005 -0.00001 -0.00007 -0.00040 -0.00007
|
|
159 8D+2 0.00003 0.00004 0.00005 0.00043 0.00012
|
|
160 8D-2 -0.00003 -0.00001 0.00004 -0.00020 -0.00008
|
|
161 9D 0 0.00000 0.00002 0.00014 0.00070 0.00009
|
|
162 9D+1 -0.00019 -0.00008 0.00000 0.00023 0.00005
|
|
163 9D-1 -0.00012 -0.00013 0.00008 -0.00024 0.00017
|
|
164 9D+2 0.00005 0.00009 0.00019 0.00094 0.00018
|
|
165 9D-2 -0.00016 -0.00009 0.00000 -0.00016 0.00019
|
|
166 6 H 1S 0.00343 0.00410 0.00092 0.00453 -0.00426
|
|
167 2S 0.00699 0.00446 0.00164 -0.00363 -0.00637
|
|
168 3S 0.00814 -0.00102 0.00168 -0.00934 -0.00907
|
|
169 4S 0.00135 -0.00016 0.00018 -0.00044 -0.00109
|
|
170 5PX -0.00005 -0.00014 0.00000 -0.00021 0.00009
|
|
171 5PY 0.00018 -0.00003 0.00007 0.00054 -0.00024
|
|
172 5PZ 0.00022 0.00036 0.00001 0.00036 -0.00011
|
|
173 6PX 0.00014 0.00010 0.00009 0.00009 -0.00003
|
|
174 6PY 0.00066 0.00056 0.00009 0.00505 -0.00048
|
|
175 6PZ 0.00033 0.00014 0.00007 -0.00074 0.00020
|
|
176 7PX 0.00060 0.00049 0.00036 0.00205 0.00095
|
|
177 7PY -0.00045 0.00032 0.00033 0.00172 -0.00075
|
|
178 7PZ 0.00133 -0.00056 0.00058 -0.00218 -0.00055
|
|
179 8D 0 0.00010 0.00009 0.00005 0.00031 -0.00009
|
|
180 8D+1 -0.00004 -0.00005 0.00000 -0.00012 0.00006
|
|
181 8D-1 0.00005 0.00001 0.00007 0.00040 -0.00007
|
|
182 8D+2 0.00003 0.00004 0.00005 0.00043 -0.00012
|
|
183 8D-2 -0.00003 -0.00001 0.00004 -0.00020 0.00008
|
|
184 9D 0 0.00000 0.00002 0.00014 0.00070 -0.00009
|
|
185 9D+1 0.00019 0.00008 0.00000 -0.00023 0.00005
|
|
186 9D-1 0.00012 0.00013 -0.00008 0.00024 0.00017
|
|
187 9D+2 0.00005 0.00009 0.00019 0.00094 -0.00018
|
|
188 9D-2 -0.00016 -0.00009 0.00000 -0.00016 -0.00019
|
|
56 57 58 59 60
|
|
56 8PX 0.16973
|
|
57 8PY 0.02143 0.15690
|
|
58 8PZ 0.00000 0.00000 0.28051
|
|
59 9PX 0.06871 0.01049 0.00000 0.03250
|
|
60 9PY 0.00903 0.06378 0.00000 0.00426 0.03070
|
|
61 9PZ 0.00000 0.00000 0.11560 0.00000 0.00000
|
|
62 10PX 0.08975 0.02555 0.00000 0.03700 0.01059
|
|
63 10PY 0.02033 0.07211 0.00000 0.00896 0.02940
|
|
64 10PZ 0.00000 0.00000 0.20835 0.00000 0.00000
|
|
65 11PX 0.00074 0.00329 0.00000 0.00034 0.00139
|
|
66 11PY 0.00384 0.00207 0.00000 0.00159 0.00084
|
|
67 11PZ 0.00000 0.00000 0.02089 0.00000 0.00000
|
|
68 12D 0 -0.01088 -0.00768 0.00000 -0.00443 -0.00306
|
|
69 12D+1 0.00000 0.00000 0.00266 0.00000 0.00000
|
|
70 12D-1 0.00000 0.00000 0.00101 0.00000 0.00000
|
|
71 12D+2 0.01681 -0.01755 0.00000 0.00647 -0.00696
|
|
72 12D-2 -0.00265 0.00205 0.00000 -0.00119 0.00071
|
|
73 13D 0 -0.01042 -0.00764 0.00000 -0.00437 -0.00317
|
|
74 13D+1 0.00000 0.00000 0.00280 0.00000 0.00000
|
|
75 13D-1 0.00000 0.00000 0.00100 0.00000 0.00000
|
|
76 13D+2 0.01617 -0.01583 0.00000 0.00649 -0.00654
|
|
77 13D-2 -0.00323 0.00189 0.00000 -0.00125 0.00082
|
|
78 14D 0 -0.00417 -0.00310 0.00000 -0.00173 -0.00126
|
|
79 14D+1 0.00000 0.00000 0.00181 0.00000 0.00000
|
|
80 14D-1 0.00000 0.00000 0.00405 0.00000 0.00000
|
|
81 14D+2 0.00408 -0.00214 0.00000 0.00168 -0.00083
|
|
82 14D-2 0.00241 0.00312 0.00000 0.00107 0.00128
|
|
83 15F 0 0.00000 0.00000 -0.00316 0.00000 0.00000
|
|
84 15F+1 -0.00447 0.00055 0.00000 -0.00183 0.00023
|
|
85 15F-1 0.00028 -0.00389 0.00000 0.00007 -0.00160
|
|
86 15F+2 0.00000 0.00000 0.00013 0.00000 0.00000
|
|
87 15F-2 0.00000 0.00000 -0.00103 0.00000 0.00000
|
|
88 15F+3 0.00386 -0.00047 0.00000 0.00159 -0.00018
|
|
89 15F-3 -0.00170 -0.00306 0.00000 -0.00074 -0.00125
|
|
90 16F 0 0.00000 0.00000 -0.00228 0.00000 0.00000
|
|
91 16F+1 -0.00068 0.00000 0.00000 -0.00023 -0.00001
|
|
92 16F-1 -0.00051 -0.00042 0.00000 -0.00021 -0.00013
|
|
93 16F+2 0.00000 0.00000 0.00016 0.00000 0.00000
|
|
94 16F-2 0.00000 0.00000 -0.00074 0.00000 0.00000
|
|
95 16F+3 0.00058 -0.00078 0.00000 0.00018 -0.00029
|
|
96 16F-3 0.00060 0.00001 0.00000 0.00022 0.00000
|
|
97 3 H 1S 0.06670 -0.00903 0.00000 0.02719 -0.00372
|
|
98 2S 0.10577 -0.00762 0.00000 0.04354 -0.00320
|
|
99 3S 0.03568 -0.01256 0.00000 0.01430 -0.00506
|
|
100 4S 0.00334 -0.00269 0.00000 0.00133 -0.00113
|
|
101 5PX -0.00475 0.00108 0.00000 -0.00192 0.00045
|
|
102 5PY 0.00110 0.00140 0.00000 0.00046 0.00057
|
|
103 5PZ 0.00000 0.00000 0.00304 0.00000 0.00000
|
|
104 6PX -0.00252 -0.00015 0.00000 -0.00119 -0.00002
|
|
105 6PY 0.00130 0.00428 0.00000 0.00065 0.00183
|
|
106 6PZ 0.00000 0.00000 0.01030 0.00000 0.00000
|
|
107 7PX 0.00552 0.00263 0.00000 0.00231 0.00102
|
|
108 7PY -0.00066 -0.00321 0.00000 -0.00030 -0.00127
|
|
109 7PZ 0.00000 0.00000 0.00583 0.00000 0.00000
|
|
110 8D 0 -0.00062 -0.00020 0.00000 -0.00025 -0.00009
|
|
111 8D+1 0.00000 0.00000 -0.00134 0.00000 0.00000
|
|
112 8D-1 0.00000 0.00000 0.00019 0.00000 0.00000
|
|
113 8D+2 0.00083 -0.00017 0.00000 0.00033 -0.00007
|
|
114 8D-2 -0.00039 -0.00093 0.00000 -0.00017 -0.00038
|
|
115 9D 0 0.00033 0.00012 0.00000 0.00013 0.00004
|
|
116 9D+1 0.00000 0.00000 -0.00160 0.00000 0.00000
|
|
117 9D-1 0.00000 0.00000 -0.00002 0.00000 0.00000
|
|
118 9D+2 -0.00236 0.00034 0.00000 -0.00095 0.00014
|
|
119 9D-2 0.00063 -0.00052 0.00000 0.00023 -0.00027
|
|
120 4 H 1S 0.00488 -0.00584 0.00000 0.00194 -0.00260
|
|
121 2S 0.00630 -0.00247 0.00000 0.00250 -0.00173
|
|
122 3S 0.01715 -0.00864 0.00000 0.00753 -0.00413
|
|
123 4S -0.00235 0.00266 0.00000 -0.00093 0.00109
|
|
124 5PX 0.00015 -0.00065 0.00000 0.00005 -0.00029
|
|
125 5PY 0.00031 -0.00134 0.00000 0.00010 -0.00055
|
|
126 5PZ 0.00000 0.00000 -0.00002 0.00000 0.00000
|
|
127 6PX -0.00010 0.00022 0.00000 -0.00007 0.00001
|
|
128 6PY -0.00017 -0.00604 0.00000 -0.00011 -0.00242
|
|
129 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
130 7PX 0.00342 -0.00033 0.00000 0.00154 -0.00025
|
|
131 7PY -0.00003 0.00033 0.00000 -0.00007 0.00018
|
|
132 7PZ 0.00000 0.00000 0.00219 0.00000 0.00000
|
|
133 8D 0 -0.00002 -0.00009 0.00000 -0.00001 -0.00003
|
|
134 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
135 8D-1 0.00000 0.00000 -0.00016 0.00000 0.00000
|
|
136 8D+2 0.00014 -0.00064 0.00000 0.00004 -0.00026
|
|
137 8D-2 0.00011 -0.00079 0.00000 0.00003 -0.00032
|
|
138 9D 0 -0.00011 -0.00023 0.00000 -0.00006 -0.00010
|
|
139 9D+1 0.00000 0.00000 0.00021 0.00000 0.00000
|
|
140 9D-1 0.00000 0.00000 -0.00048 0.00000 0.00000
|
|
141 9D+2 0.00047 -0.00131 0.00000 0.00016 -0.00051
|
|
142 9D-2 -0.00048 -0.00069 0.00000 -0.00019 -0.00031
|
|
143 5 H 1S -0.00193 -0.00915 -0.00990 -0.00097 -0.00409
|
|
144 2S -0.00463 -0.00389 -0.01786 -0.00205 -0.00241
|
|
145 3S -0.01359 0.00845 -0.05046 -0.00574 0.00313
|
|
146 4S -0.00080 0.00030 -0.00301 -0.00033 0.00011
|
|
147 5PX 0.00002 0.00050 0.00020 0.00002 0.00022
|
|
148 5PY -0.00010 -0.00116 -0.00038 -0.00005 -0.00047
|
|
149 5PZ 0.00004 0.00082 0.00035 0.00004 0.00037
|
|
150 6PX -0.00008 -0.00003 0.00039 -0.00003 -0.00001
|
|
151 6PY -0.00010 -0.00752 -0.00100 -0.00013 -0.00300
|
|
152 6PZ 0.00024 -0.00056 0.00009 0.00010 -0.00018
|
|
153 7PX 0.00154 -0.00402 0.00360 0.00065 -0.00167
|
|
154 7PY 0.00053 -0.00084 0.00138 0.00024 -0.00027
|
|
155 7PZ 0.00178 -0.00236 0.00705 0.00070 -0.00093
|
|
156 8D 0 -0.00007 -0.00050 -0.00018 -0.00004 -0.00021
|
|
157 8D+1 -0.00004 -0.00026 -0.00014 -0.00002 -0.00011
|
|
158 8D-1 0.00008 0.00061 0.00006 0.00004 0.00024
|
|
159 8D+2 -0.00006 -0.00059 -0.00015 -0.00003 -0.00023
|
|
160 8D-2 -0.00004 0.00031 0.00012 -0.00001 0.00012
|
|
161 9D 0 -0.00009 -0.00071 0.00004 -0.00004 -0.00026
|
|
162 9D+1 0.00001 -0.00015 -0.00015 0.00000 -0.00004
|
|
163 9D-1 0.00018 0.00075 0.00011 0.00009 0.00033
|
|
164 9D+2 -0.00016 -0.00104 -0.00009 -0.00007 -0.00040
|
|
165 9D-2 -0.00009 0.00065 0.00012 -0.00003 0.00028
|
|
166 6 H 1S -0.00193 -0.00915 0.00990 -0.00097 -0.00409
|
|
167 2S -0.00463 -0.00389 0.01786 -0.00205 -0.00241
|
|
168 3S -0.01359 0.00845 0.05046 -0.00574 0.00313
|
|
169 4S -0.00080 0.00030 0.00301 -0.00033 0.00011
|
|
170 5PX 0.00002 0.00050 -0.00020 0.00002 0.00022
|
|
171 5PY -0.00010 -0.00116 0.00038 -0.00005 -0.00047
|
|
172 5PZ -0.00004 -0.00082 0.00035 -0.00004 -0.00037
|
|
173 6PX -0.00008 -0.00003 -0.00039 -0.00003 -0.00001
|
|
174 6PY -0.00010 -0.00752 0.00100 -0.00013 -0.00300
|
|
175 6PZ -0.00024 0.00056 0.00009 -0.00010 0.00018
|
|
176 7PX 0.00154 -0.00402 -0.00360 0.00065 -0.00167
|
|
177 7PY 0.00053 -0.00084 -0.00138 0.00024 -0.00027
|
|
178 7PZ -0.00178 0.00236 0.00705 -0.00070 0.00093
|
|
179 8D 0 -0.00007 -0.00050 0.00018 -0.00004 -0.00021
|
|
180 8D+1 0.00004 0.00026 -0.00014 0.00002 0.00011
|
|
181 8D-1 -0.00008 -0.00061 0.00006 -0.00004 -0.00024
|
|
182 8D+2 -0.00006 -0.00059 0.00015 -0.00003 -0.00023
|
|
183 8D-2 -0.00004 0.00031 -0.00012 -0.00001 0.00012
|
|
184 9D 0 -0.00009 -0.00071 -0.00004 -0.00004 -0.00026
|
|
185 9D+1 -0.00001 0.00015 -0.00015 0.00000 0.00004
|
|
186 9D-1 -0.00018 -0.00075 0.00011 -0.00009 -0.00033
|
|
187 9D+2 -0.00016 -0.00104 0.00009 -0.00007 -0.00040
|
|
188 9D-2 -0.00009 0.00065 -0.00012 -0.00003 0.00028
|
|
61 62 63 64 65
|
|
61 9PZ 0.05165
|
|
62 10PX 0.00000 0.05001
|
|
63 10PY 0.00000 0.01763 0.03416
|
|
64 10PZ 0.08632 0.00000 0.00000 0.15609
|
|
65 11PX 0.00000 0.00079 0.00155 0.00000 0.00008
|
|
66 11PY 0.00000 0.00237 0.00134 0.00000 0.00005
|
|
67 11PZ 0.00863 0.00000 0.00000 0.01585 0.00000
|
|
68 12D 0 0.00000 -0.00630 -0.00410 0.00000 -0.00017
|
|
69 12D+1 0.00102 0.00000 0.00000 0.00193 0.00000
|
|
70 12D-1 0.00030 0.00000 0.00000 0.00015 0.00000
|
|
71 12D+2 0.00000 0.00717 -0.00691 0.00000 -0.00030
|
|
72 12D-2 0.00000 -0.00166 0.00070 0.00000 -0.00001
|
|
73 13D 0 0.00000 -0.00598 -0.00396 0.00000 -0.00017
|
|
74 13D+1 0.00120 0.00000 0.00000 0.00206 0.00000
|
|
75 13D-1 0.00045 0.00000 0.00000 0.00022 0.00000
|
|
76 13D+2 0.00000 0.00699 -0.00617 0.00000 -0.00028
|
|
77 13D-2 0.00000 -0.00185 0.00064 0.00000 -0.00001
|
|
78 14D 0 0.00000 -0.00257 -0.00180 0.00000 -0.00007
|
|
79 14D+1 0.00075 0.00000 0.00000 0.00140 0.00000
|
|
80 14D-1 0.00172 0.00000 0.00000 0.00314 0.00000
|
|
81 14D+2 0.00000 0.00193 -0.00075 0.00000 -0.00003
|
|
82 14D-2 0.00000 0.00173 0.00157 0.00000 0.00009
|
|
83 15F 0 -0.00131 0.00000 0.00000 -0.00222 0.00000
|
|
84 15F+1 0.00000 -0.00217 0.00003 0.00000 0.00001
|
|
85 15F-1 0.00000 -0.00017 -0.00170 0.00000 -0.00008
|
|
86 15F+2 0.00006 0.00000 0.00000 0.00028 0.00000
|
|
87 15F-2 -0.00043 0.00000 0.00000 -0.00079 0.00000
|
|
88 15F+3 0.00000 0.00205 -0.00002 0.00000 0.00001
|
|
89 15F-3 0.00000 -0.00104 -0.00140 0.00000 -0.00006
|
|
90 16F 0 -0.00091 0.00000 0.00000 -0.00169 0.00000
|
|
91 16F+1 0.00000 -0.00036 -0.00006 0.00000 0.00000
|
|
92 16F-1 0.00000 -0.00030 -0.00023 0.00000 -0.00001
|
|
93 16F+2 0.00007 0.00000 0.00000 0.00012 0.00000
|
|
94 16F-2 -0.00030 0.00000 0.00000 -0.00056 0.00000
|
|
95 16F+3 0.00000 0.00022 -0.00032 0.00000 -0.00001
|
|
96 16F-3 0.00000 0.00025 -0.00001 0.00000 0.00000
|
|
97 3 H 1S 0.00000 0.03248 -0.00107 0.00000 -0.00011
|
|
98 2S 0.00000 0.05270 0.00167 0.00000 0.00000
|
|
99 3S 0.00000 0.01778 -0.00327 0.00000 -0.00017
|
|
100 4S 0.00000 0.00160 -0.00091 0.00000 -0.00005
|
|
101 5PX 0.00000 -0.00218 0.00034 0.00000 0.00002
|
|
102 5PY 0.00000 0.00066 0.00068 0.00000 0.00003
|
|
103 5PZ 0.00125 0.00000 0.00000 0.00226 0.00000
|
|
104 6PX 0.00000 -0.00103 0.00000 0.00000 0.00001
|
|
105 6PY 0.00000 0.00104 0.00200 0.00000 0.00009
|
|
106 6PZ 0.00431 0.00000 0.00000 0.00768 0.00000
|
|
107 7PX 0.00000 0.00298 0.00140 0.00000 0.00006
|
|
108 7PY 0.00000 -0.00073 -0.00142 0.00000 -0.00009
|
|
109 7PZ 0.00244 0.00000 0.00000 0.00441 0.00000
|
|
110 8D 0 0.00000 -0.00030 -0.00010 0.00000 0.00000
|
|
111 8D+1 -0.00055 0.00000 0.00000 -0.00100 0.00000
|
|
112 8D-1 0.00008 0.00000 0.00000 0.00013 0.00000
|
|
113 8D+2 0.00000 0.00037 -0.00006 0.00000 0.00000
|
|
114 8D-2 0.00000 -0.00026 -0.00043 0.00000 -0.00002
|
|
115 9D 0 0.00000 0.00018 0.00007 0.00000 0.00000
|
|
116 9D+1 -0.00071 0.00000 0.00000 -0.00121 0.00000
|
|
117 9D-1 0.00000 0.00000 0.00000 -0.00001 0.00000
|
|
118 9D+2 0.00000 -0.00117 0.00002 0.00000 0.00001
|
|
119 9D-2 0.00000 0.00029 -0.00021 0.00000 -0.00001
|
|
120 4 H 1S 0.00000 0.00616 -0.00136 0.00000 0.00013
|
|
121 2S 0.00000 0.00811 0.00029 0.00000 0.00028
|
|
122 3S 0.00000 0.00699 -0.00272 0.00000 -0.00032
|
|
123 4S 0.00000 -0.00118 0.00103 0.00000 0.00003
|
|
124 5PX 0.00000 0.00033 -0.00020 0.00000 0.00000
|
|
125 5PY 0.00000 -0.00008 -0.00059 0.00000 -0.00004
|
|
126 5PZ -0.00001 0.00000 0.00000 -0.00019 0.00000
|
|
127 6PX 0.00000 -0.00008 0.00008 0.00000 -0.00001
|
|
128 6PY 0.00000 -0.00050 -0.00258 0.00000 -0.00013
|
|
129 6PZ -0.00001 0.00000 0.00000 -0.00044 0.00000
|
|
130 7PX 0.00000 0.00106 -0.00001 0.00000 -0.00007
|
|
131 7PY 0.00000 0.00028 0.00026 0.00000 0.00002
|
|
132 7PZ 0.00101 0.00000 0.00000 0.00162 0.00000
|
|
133 8D 0 0.00000 -0.00004 -0.00004 0.00000 0.00000
|
|
134 8D+1 0.00000 0.00000 0.00000 -0.00007 0.00000
|
|
135 8D-1 -0.00006 0.00000 0.00000 -0.00010 0.00000
|
|
136 8D+2 0.00000 0.00008 -0.00025 0.00000 -0.00001
|
|
137 8D-2 0.00000 -0.00005 -0.00034 0.00000 -0.00002
|
|
138 9D 0 0.00000 -0.00006 -0.00011 0.00000 -0.00001
|
|
139 9D+1 0.00009 0.00000 0.00000 0.00010 0.00000
|
|
140 9D-1 -0.00022 0.00000 0.00000 -0.00034 0.00000
|
|
141 9D+2 0.00000 0.00010 -0.00057 0.00000 -0.00002
|
|
142 9D-2 0.00000 -0.00024 -0.00030 0.00000 -0.00002
|
|
143 5 H 1S -0.00423 -0.00407 -0.00412 -0.01254 -0.00063
|
|
144 2S -0.00765 -0.00608 -0.00219 -0.02012 -0.00066
|
|
145 3S -0.02175 -0.00617 0.00260 -0.03678 0.00021
|
|
146 4S -0.00126 -0.00038 0.00002 -0.00200 0.00001
|
|
147 5PX 0.00009 0.00004 0.00021 0.00040 0.00002
|
|
148 5PY -0.00015 -0.00005 -0.00051 -0.00007 -0.00001
|
|
149 5PZ 0.00015 0.00030 0.00036 0.00056 0.00006
|
|
150 6PX 0.00018 -0.00031 -0.00005 0.00052 -0.00003
|
|
151 6PY -0.00041 -0.00058 -0.00327 -0.00067 -0.00015
|
|
152 6PZ 0.00005 0.00028 -0.00021 -0.00006 0.00002
|
|
153 7PX 0.00152 0.00018 -0.00170 0.00232 -0.00012
|
|
154 7PY 0.00065 0.00003 -0.00031 0.00073 -0.00005
|
|
155 7PZ 0.00307 0.00056 -0.00085 0.00461 -0.00009
|
|
156 8D 0 -0.00007 -0.00013 -0.00023 -0.00014 -0.00002
|
|
157 8D+1 -0.00006 -0.00004 -0.00011 -0.00018 -0.00001
|
|
158 8D-1 0.00002 0.00005 0.00027 -0.00001 0.00001
|
|
159 8D+2 -0.00006 -0.00005 -0.00026 -0.00012 -0.00001
|
|
160 8D-2 0.00004 0.00000 0.00013 0.00004 0.00001
|
|
161 9D 0 0.00002 -0.00011 -0.00032 0.00010 -0.00001
|
|
162 9D+1 -0.00006 0.00006 -0.00006 -0.00007 0.00001
|
|
163 9D-1 0.00006 0.00017 0.00033 0.00014 0.00002
|
|
164 9D+2 -0.00003 -0.00014 -0.00045 -0.00009 -0.00002
|
|
165 9D-2 0.00007 0.00005 0.00028 0.00011 0.00002
|
|
166 6 H 1S 0.00423 -0.00407 -0.00412 0.01254 -0.00063
|
|
167 2S 0.00765 -0.00608 -0.00219 0.02012 -0.00066
|
|
168 3S 0.02175 -0.00617 0.00260 0.03678 0.00021
|
|
169 4S 0.00126 -0.00038 0.00002 0.00200 0.00001
|
|
170 5PX -0.00009 0.00004 0.00021 -0.00040 0.00002
|
|
171 5PY 0.00015 -0.00005 -0.00051 0.00007 -0.00001
|
|
172 5PZ 0.00015 -0.00030 -0.00036 0.00056 -0.00006
|
|
173 6PX -0.00018 -0.00031 -0.00005 -0.00052 -0.00003
|
|
174 6PY 0.00041 -0.00058 -0.00327 0.00067 -0.00015
|
|
175 6PZ 0.00005 -0.00028 0.00021 -0.00006 -0.00002
|
|
176 7PX -0.00152 0.00018 -0.00170 -0.00232 -0.00012
|
|
177 7PY -0.00065 0.00003 -0.00031 -0.00073 -0.00005
|
|
178 7PZ 0.00307 -0.00056 0.00085 0.00461 0.00009
|
|
179 8D 0 0.00007 -0.00013 -0.00023 0.00014 -0.00002
|
|
180 8D+1 -0.00006 0.00004 0.00011 -0.00018 0.00001
|
|
181 8D-1 0.00002 -0.00005 -0.00027 -0.00001 -0.00001
|
|
182 8D+2 0.00006 -0.00005 -0.00026 0.00012 -0.00001
|
|
183 8D-2 -0.00004 0.00000 0.00013 -0.00004 0.00001
|
|
184 9D 0 -0.00002 -0.00011 -0.00032 -0.00010 -0.00001
|
|
185 9D+1 -0.00006 -0.00006 0.00006 -0.00007 -0.00001
|
|
186 9D-1 0.00006 -0.00017 -0.00033 0.00014 -0.00002
|
|
187 9D+2 0.00003 -0.00014 -0.00045 0.00009 -0.00002
|
|
188 9D-2 -0.00007 0.00005 0.00028 -0.00011 0.00002
|
|
66 67 68 69 70
|
|
66 11PY 0.00019
|
|
67 11PZ 0.00000 0.00164
|
|
68 12D 0 -0.00029 0.00000 0.00102
|
|
69 12D+1 0.00000 0.00019 0.00000 0.00003
|
|
70 12D-1 0.00000 -0.00008 0.00000 0.00003 0.00027
|
|
71 12D+2 0.00013 0.00000 -0.00025 0.00000 0.00000
|
|
72 12D-2 -0.00004 0.00000 0.00014 0.00000 0.00000
|
|
73 13D 0 -0.00023 0.00000 0.00099 0.00000 0.00000
|
|
74 13D+1 0.00000 0.00020 0.00000 0.00003 0.00002
|
|
75 13D-1 0.00000 -0.00006 0.00000 0.00002 0.00024
|
|
76 13D+2 0.00015 0.00000 -0.00031 0.00000 0.00000
|
|
77 13D-2 -0.00004 0.00000 0.00019 0.00000 0.00000
|
|
78 14D 0 -0.00019 0.00000 0.00034 0.00000 0.00000
|
|
79 14D+1 0.00000 0.00015 0.00000 0.00002 -0.00002
|
|
80 14D-1 0.00000 0.00034 0.00000 0.00003 -0.00004
|
|
81 14D+2 0.00004 0.00000 -0.00014 0.00000 0.00000
|
|
82 14D-2 0.00008 0.00000 -0.00029 0.00000 0.00000
|
|
83 15F 0 0.00000 -0.00020 0.00000 -0.00003 -0.00007
|
|
84 15F+1 -0.00006 0.00000 0.00025 0.00000 0.00000
|
|
85 15F-1 -0.00002 0.00000 0.00016 0.00000 0.00000
|
|
86 15F+2 0.00000 0.00006 0.00000 0.00000 -0.00008
|
|
87 15F-2 0.00000 -0.00008 0.00000 -0.00001 0.00001
|
|
88 15F+3 0.00005 0.00000 -0.00025 0.00000 0.00000
|
|
89 15F-3 -0.00003 0.00000 0.00026 0.00000 0.00000
|
|
90 16F 0 0.00000 -0.00017 0.00000 -0.00002 -0.00001
|
|
91 16F+1 -0.00002 0.00000 0.00004 0.00000 0.00000
|
|
92 16F-1 -0.00002 0.00000 0.00005 0.00000 0.00000
|
|
93 16F+2 0.00000 0.00001 0.00000 0.00000 0.00000
|
|
94 16F-2 0.00000 -0.00006 0.00000 -0.00001 0.00000
|
|
95 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
96 16F-3 -0.00001 0.00000 -0.00004 0.00000 0.00000
|
|
97 3 H 1S 0.00074 0.00000 -0.00389 0.00000 0.00000
|
|
98 2S 0.00142 0.00000 -0.00638 0.00000 0.00000
|
|
99 3S 0.00070 0.00000 -0.00170 0.00000 0.00000
|
|
100 4S 0.00010 0.00000 -0.00009 0.00000 0.00000
|
|
101 5PX -0.00002 0.00000 0.00027 0.00000 0.00000
|
|
102 5PY 0.00003 0.00000 -0.00012 0.00000 0.00000
|
|
103 5PZ 0.00000 0.00023 0.00000 0.00003 0.00001
|
|
104 6PX 0.00005 0.00000 0.00020 0.00000 0.00000
|
|
105 6PY 0.00007 0.00000 -0.00025 0.00000 0.00000
|
|
106 6PZ 0.00000 0.00077 0.00000 0.00010 0.00002
|
|
107 7PX 0.00008 0.00000 -0.00046 0.00000 0.00000
|
|
108 7PY 0.00000 0.00000 0.00021 0.00000 0.00000
|
|
109 7PZ 0.00000 0.00045 0.00000 0.00005 -0.00001
|
|
110 8D 0 0.00000 0.00000 0.00005 0.00000 0.00000
|
|
111 8D+1 0.00000 -0.00010 0.00000 -0.00001 -0.00001
|
|
112 8D-1 0.00000 0.00001 0.00000 0.00000 0.00000
|
|
113 8D+2 0.00000 0.00000 -0.00005 0.00000 0.00000
|
|
114 8D-2 -0.00001 0.00000 0.00006 0.00000 0.00000
|
|
115 9D 0 0.00000 0.00000 -0.00003 0.00000 0.00000
|
|
116 9D+1 0.00000 -0.00012 0.00000 -0.00001 0.00000
|
|
117 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
118 9D+2 -0.00004 0.00000 0.00013 0.00000 0.00000
|
|
119 9D-2 0.00000 0.00000 -0.00002 0.00000 0.00000
|
|
120 4 H 1S 0.00049 0.00000 -0.00110 0.00000 0.00000
|
|
121 2S 0.00055 0.00000 -0.00162 0.00000 0.00000
|
|
122 3S 0.00043 0.00000 -0.00043 0.00000 0.00000
|
|
123 4S -0.00002 0.00000 0.00007 0.00000 0.00000
|
|
124 5PX 0.00004 0.00000 -0.00007 0.00000 0.00000
|
|
125 5PY -0.00001 0.00000 0.00007 0.00000 0.00000
|
|
126 5PZ 0.00000 -0.00005 0.00000 0.00000 0.00008
|
|
127 6PX 0.00000 0.00000 -0.00003 0.00000 0.00000
|
|
128 6PY 0.00002 0.00000 0.00027 0.00000 0.00000
|
|
129 6PZ 0.00000 -0.00011 0.00000 0.00001 0.00020
|
|
130 7PX 0.00006 0.00000 -0.00002 0.00000 0.00000
|
|
131 7PY 0.00005 0.00000 -0.00004 0.00000 0.00000
|
|
132 7PZ 0.00000 0.00016 0.00000 0.00002 0.00001
|
|
133 8D 0 0.00000 0.00000 0.00002 0.00000 0.00000
|
|
134 8D+1 0.00000 -0.00002 0.00000 0.00000 0.00003
|
|
135 8D-1 0.00000 -0.00001 0.00000 0.00000 -0.00001
|
|
136 8D+2 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
137 8D-2 0.00000 0.00000 0.00004 0.00000 0.00000
|
|
138 9D 0 0.00000 0.00000 -0.00001 0.00000 0.00000
|
|
139 9D+1 0.00000 0.00000 0.00000 0.00000 0.00003
|
|
140 9D-1 0.00000 -0.00003 0.00000 0.00000 -0.00001
|
|
141 9D+2 -0.00001 0.00000 0.00005 0.00000 0.00000
|
|
142 9D-2 0.00001 0.00000 0.00004 0.00000 0.00000
|
|
143 5 H 1S 0.00018 -0.00207 0.00033 0.00005 0.00230
|
|
144 2S 0.00010 -0.00309 0.00025 0.00003 0.00302
|
|
145 3S -0.00041 -0.00355 0.00031 -0.00048 -0.00052
|
|
146 4S -0.00005 -0.00016 0.00002 -0.00003 -0.00011
|
|
147 5PX -0.00001 0.00008 0.00000 -0.00001 -0.00011
|
|
148 5PY -0.00001 0.00003 0.00006 -0.00001 -0.00010
|
|
149 5PZ -0.00002 0.00010 -0.00002 -0.00001 -0.00013
|
|
150 6PX -0.00001 0.00009 0.00006 0.00000 -0.00010
|
|
151 6PY -0.00001 -0.00006 0.00032 -0.00001 -0.00004
|
|
152 6PZ 0.00000 -0.00003 0.00001 0.00000 0.00006
|
|
153 7PX 0.00002 0.00018 0.00009 0.00004 0.00017
|
|
154 7PY 0.00004 0.00002 0.00001 0.00002 0.00014
|
|
155 7PZ 0.00009 0.00036 0.00000 0.00008 0.00031
|
|
156 8D 0 0.00000 -0.00002 0.00003 0.00000 0.00000
|
|
157 8D+1 0.00000 -0.00003 0.00001 0.00000 0.00003
|
|
158 8D-1 0.00000 -0.00001 -0.00003 0.00000 0.00003
|
|
159 8D+2 0.00000 -0.00001 0.00003 0.00000 0.00001
|
|
160 8D-2 0.00000 0.00000 -0.00001 0.00000 0.00002
|
|
161 9D 0 -0.00001 0.00002 0.00005 0.00000 -0.00003
|
|
162 9D+1 0.00000 0.00000 0.00002 0.00000 -0.00002
|
|
163 9D-1 0.00000 0.00002 -0.00003 0.00000 -0.00003
|
|
164 9D+2 0.00000 -0.00001 0.00005 0.00000 0.00001
|
|
165 9D-2 0.00000 0.00001 -0.00002 0.00000 -0.00001
|
|
166 6 H 1S 0.00018 0.00207 0.00033 -0.00005 -0.00230
|
|
167 2S 0.00010 0.00309 0.00025 -0.00003 -0.00302
|
|
168 3S -0.00041 0.00355 0.00031 0.00048 0.00052
|
|
169 4S -0.00005 0.00016 0.00002 0.00003 0.00011
|
|
170 5PX -0.00001 -0.00008 0.00000 0.00001 0.00011
|
|
171 5PY -0.00001 -0.00003 0.00006 0.00001 0.00010
|
|
172 5PZ 0.00002 0.00010 0.00002 -0.00001 -0.00013
|
|
173 6PX -0.00001 -0.00009 0.00006 0.00000 0.00010
|
|
174 6PY -0.00001 0.00006 0.00032 0.00001 0.00004
|
|
175 6PZ 0.00000 -0.00003 -0.00001 0.00000 0.00006
|
|
176 7PX 0.00002 -0.00018 0.00009 -0.00004 -0.00017
|
|
177 7PY 0.00004 -0.00002 0.00001 -0.00002 -0.00014
|
|
178 7PZ -0.00009 0.00036 0.00000 0.00008 0.00031
|
|
179 8D 0 0.00000 0.00002 0.00003 0.00000 0.00000
|
|
180 8D+1 0.00000 -0.00003 -0.00001 0.00000 0.00003
|
|
181 8D-1 0.00000 -0.00001 0.00003 0.00000 0.00003
|
|
182 8D+2 0.00000 0.00001 0.00003 0.00000 -0.00001
|
|
183 8D-2 0.00000 0.00000 -0.00001 0.00000 -0.00002
|
|
184 9D 0 -0.00001 -0.00002 0.00005 0.00000 0.00003
|
|
185 9D+1 0.00000 0.00000 -0.00002 0.00000 -0.00002
|
|
186 9D-1 0.00000 0.00002 0.00003 0.00000 -0.00003
|
|
187 9D+2 0.00000 0.00001 0.00005 0.00000 -0.00001
|
|
188 9D-2 0.00000 -0.00001 -0.00002 0.00000 0.00001
|
|
71 72 73 74 75
|
|
71 12D+2 0.00430
|
|
72 12D-2 -0.00065 0.00042
|
|
73 13D 0 -0.00023 0.00013 0.00100
|
|
74 13D+1 0.00000 0.00000 0.00000 0.00003
|
|
75 13D-1 0.00000 0.00000 0.00000 0.00002 0.00021
|
|
76 13D+2 0.00395 -0.00061 -0.00028 0.00000 0.00000
|
|
77 13D-2 -0.00069 0.00038 0.00018 0.00000 0.00000
|
|
78 14D 0 -0.00005 -0.00001 0.00029 0.00000 0.00000
|
|
79 14D+1 0.00000 0.00000 0.00000 0.00002 -0.00001
|
|
80 14D-1 0.00000 0.00000 0.00000 0.00004 -0.00004
|
|
81 14D+2 0.00079 -0.00013 -0.00015 0.00000 0.00000
|
|
82 14D-2 -0.00007 -0.00014 -0.00029 0.00000 0.00000
|
|
83 15F 0 0.00000 0.00000 0.00000 -0.00003 -0.00006
|
|
84 15F+1 -0.00059 0.00007 0.00026 0.00000 0.00000
|
|
85 15F-1 0.00053 -0.00006 0.00017 0.00000 0.00000
|
|
86 15F+2 0.00000 0.00000 0.00000 0.00000 -0.00007
|
|
87 15F-2 0.00000 0.00000 0.00000 -0.00001 0.00001
|
|
88 15F+3 0.00055 -0.00021 -0.00026 0.00000 0.00000
|
|
89 15F-3 0.00020 -0.00001 0.00028 0.00000 0.00000
|
|
90 16F 0 0.00000 0.00000 0.00000 -0.00002 -0.00001
|
|
91 16F+1 -0.00008 0.00001 0.00003 0.00000 0.00000
|
|
92 16F-1 0.00000 0.00000 0.00005 0.00000 0.00000
|
|
93 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
94 16F-2 0.00000 0.00000 0.00000 -0.00001 0.00000
|
|
95 16F+3 0.00017 -0.00002 0.00000 0.00000 0.00000
|
|
96 16F-3 0.00009 0.00000 -0.00005 0.00000 0.00000
|
|
97 3 H 1S 0.00905 -0.00155 -0.00404 0.00000 0.00000
|
|
98 2S 0.01345 -0.00245 -0.00653 0.00000 0.00000
|
|
99 3S 0.00568 -0.00115 -0.00155 0.00000 0.00000
|
|
100 4S 0.00068 -0.00013 -0.00005 0.00000 0.00000
|
|
101 5PX -0.00071 0.00011 0.00030 0.00000 0.00000
|
|
102 5PY -0.00005 0.00001 -0.00013 0.00000 0.00000
|
|
103 5PZ 0.00000 0.00000 0.00000 0.00003 0.00001
|
|
104 6PX -0.00029 0.00003 0.00026 0.00000 0.00000
|
|
105 6PY -0.00040 0.00006 -0.00025 0.00000 0.00000
|
|
106 6PZ 0.00000 0.00000 0.00000 0.00010 0.00003
|
|
107 7PX 0.00033 -0.00007 -0.00048 0.00000 0.00000
|
|
108 7PY 0.00026 0.00010 0.00023 0.00000 0.00000
|
|
109 7PZ 0.00000 0.00000 0.00000 0.00006 -0.00001
|
|
110 8D 0 -0.00005 0.00000 0.00005 0.00000 0.00000
|
|
111 8D+1 0.00000 0.00000 0.00000 -0.00001 -0.00001
|
|
112 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
113 8D+2 0.00012 -0.00001 -0.00006 0.00000 0.00000
|
|
114 8D-2 0.00007 -0.00001 0.00007 0.00000 0.00000
|
|
115 9D 0 0.00002 -0.00001 -0.00003 0.00000 0.00000
|
|
116 9D+1 0.00000 0.00000 0.00000 -0.00002 0.00000
|
|
117 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
118 9D+2 -0.00031 0.00004 0.00012 0.00000 0.00000
|
|
119 9D-2 0.00015 -0.00004 -0.00003 0.00000 0.00000
|
|
120 4 H 1S 0.00115 -0.00326 -0.00079 0.00000 0.00000
|
|
121 2S 0.00095 -0.00406 -0.00128 0.00000 0.00000
|
|
122 3S 0.00263 0.00062 -0.00030 0.00000 0.00000
|
|
123 4S -0.00064 0.00024 0.00006 0.00000 0.00000
|
|
124 5PX 0.00006 -0.00025 -0.00005 0.00000 0.00000
|
|
125 5PY 0.00019 0.00007 0.00007 0.00000 0.00000
|
|
126 5PZ 0.00000 0.00000 0.00000 0.00000 0.00007
|
|
127 6PX -0.00008 0.00001 -0.00002 0.00000 0.00000
|
|
128 6PY 0.00068 -0.00008 0.00032 0.00000 0.00000
|
|
129 6PZ 0.00000 0.00000 0.00000 0.00001 0.00018
|
|
130 7PX 0.00035 0.00050 -0.00003 0.00000 0.00000
|
|
131 7PY -0.00006 -0.00013 -0.00001 0.00000 0.00000
|
|
132 7PZ 0.00000 0.00000 0.00000 0.00002 0.00002
|
|
133 8D 0 0.00001 0.00002 0.00001 0.00000 0.00000
|
|
134 8D+1 0.00000 0.00000 0.00000 0.00000 0.00003
|
|
135 8D-1 0.00000 0.00000 0.00000 0.00000 -0.00001
|
|
136 8D+2 0.00009 -0.00005 0.00001 0.00000 0.00000
|
|
137 8D-2 0.00010 0.00002 0.00004 0.00000 0.00000
|
|
138 9D 0 0.00000 -0.00003 0.00000 0.00000 0.00000
|
|
139 9D+1 0.00000 0.00000 0.00000 0.00000 0.00002
|
|
140 9D-1 0.00000 0.00000 0.00000 -0.00001 -0.00001
|
|
141 9D+2 0.00024 0.00000 0.00005 0.00000 0.00000
|
|
142 9D-2 0.00001 -0.00004 0.00005 0.00000 0.00000
|
|
143 5 H 1S -0.00040 0.00134 0.00054 -0.00002 0.00204
|
|
144 2S -0.00165 0.00203 0.00043 -0.00008 0.00267
|
|
145 3S -0.00240 -0.00003 0.00018 -0.00053 -0.00051
|
|
146 4S -0.00009 -0.00004 -0.00001 -0.00003 -0.00010
|
|
147 5PX -0.00002 0.00002 -0.00001 0.00000 -0.00010
|
|
148 5PY 0.00017 -0.00007 0.00005 -0.00001 -0.00009
|
|
149 5PZ 0.00002 -0.00012 -0.00004 0.00000 -0.00012
|
|
150 6PX -0.00004 0.00020 0.00005 0.00000 -0.00009
|
|
151 6PY 0.00091 -0.00014 0.00036 -0.00001 -0.00003
|
|
152 6PZ 0.00017 -0.00014 0.00001 0.00000 0.00005
|
|
153 7PX 0.00057 0.00010 0.00011 0.00004 0.00016
|
|
154 7PY 0.00007 0.00012 0.00003 0.00002 0.00013
|
|
155 7PZ 0.00035 0.00009 0.00004 0.00008 0.00028
|
|
156 8D 0 0.00003 0.00003 0.00003 0.00000 0.00000
|
|
157 8D+1 0.00001 -0.00001 0.00001 0.00000 0.00003
|
|
158 8D-1 -0.00008 0.00003 -0.00003 0.00000 0.00002
|
|
159 8D+2 0.00007 -0.00002 0.00003 0.00000 0.00000
|
|
160 8D-2 -0.00005 0.00000 -0.00001 0.00000 0.00002
|
|
161 9D 0 0.00009 0.00001 0.00005 0.00000 -0.00003
|
|
162 9D+1 0.00006 -0.00003 0.00001 0.00000 -0.00002
|
|
163 9D-1 -0.00004 0.00000 -0.00004 0.00000 -0.00002
|
|
164 9D+2 0.00011 -0.00003 0.00006 0.00000 0.00001
|
|
165 9D-2 -0.00007 -0.00002 -0.00003 0.00000 -0.00001
|
|
166 6 H 1S -0.00040 0.00134 0.00054 0.00002 -0.00204
|
|
167 2S -0.00165 0.00203 0.00043 0.00008 -0.00267
|
|
168 3S -0.00240 -0.00003 0.00018 0.00053 0.00051
|
|
169 4S -0.00009 -0.00004 -0.00001 0.00003 0.00010
|
|
170 5PX -0.00002 0.00002 -0.00001 0.00000 0.00010
|
|
171 5PY 0.00017 -0.00007 0.00005 0.00001 0.00009
|
|
172 5PZ -0.00002 0.00012 0.00004 0.00000 -0.00012
|
|
173 6PX -0.00004 0.00020 0.00005 0.00000 0.00009
|
|
174 6PY 0.00091 -0.00014 0.00036 0.00001 0.00003
|
|
175 6PZ -0.00017 0.00014 -0.00001 0.00000 0.00005
|
|
176 7PX 0.00057 0.00010 0.00011 -0.00004 -0.00016
|
|
177 7PY 0.00007 0.00012 0.00003 -0.00002 -0.00013
|
|
178 7PZ -0.00035 -0.00009 -0.00004 0.00008 0.00028
|
|
179 8D 0 0.00003 0.00003 0.00003 0.00000 0.00000
|
|
180 8D+1 -0.00001 0.00001 -0.00001 0.00000 0.00003
|
|
181 8D-1 0.00008 -0.00003 0.00003 0.00000 0.00002
|
|
182 8D+2 0.00007 -0.00002 0.00003 0.00000 0.00000
|
|
183 8D-2 -0.00005 0.00000 -0.00001 0.00000 -0.00002
|
|
184 9D 0 0.00009 0.00001 0.00005 0.00000 0.00003
|
|
185 9D+1 -0.00006 0.00003 -0.00001 0.00000 -0.00002
|
|
186 9D-1 0.00004 0.00000 0.00004 0.00000 -0.00002
|
|
187 9D+2 0.00011 -0.00003 0.00006 0.00000 -0.00001
|
|
188 9D-2 -0.00007 -0.00002 -0.00003 0.00000 0.00001
|
|
76 77 78 79 80
|
|
76 13D+2 0.00368
|
|
77 13D-2 -0.00065 0.00037
|
|
78 14D 0 -0.00006 0.00000 0.00021
|
|
79 14D+1 0.00000 0.00000 0.00000 0.00001
|
|
80 14D-1 0.00000 0.00000 0.00000 0.00003 0.00007
|
|
81 14D+2 0.00073 -0.00014 -0.00004 0.00000 0.00000
|
|
82 14D-2 -0.00005 -0.00013 -0.00009 0.00000 0.00000
|
|
83 15F 0 0.00000 0.00000 0.00000 -0.00002 -0.00003
|
|
84 15F+1 -0.00056 0.00010 0.00007 0.00000 0.00000
|
|
85 15F-1 0.00048 -0.00005 0.00004 0.00000 0.00000
|
|
86 15F+2 0.00000 0.00000 0.00000 0.00001 0.00002
|
|
87 15F-2 0.00000 0.00000 0.00000 -0.00001 -0.00002
|
|
88 15F+3 0.00052 -0.00021 -0.00004 0.00000 0.00000
|
|
89 15F-3 0.00016 0.00001 0.00005 0.00000 0.00000
|
|
90 16F 0 0.00000 0.00000 0.00000 -0.00001 -0.00003
|
|
91 16F+1 -0.00007 0.00001 0.00002 0.00000 0.00000
|
|
92 16F-1 0.00000 0.00000 0.00002 0.00000 0.00000
|
|
93 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
94 16F-2 0.00000 0.00000 0.00000 -0.00001 -0.00001
|
|
95 16F+3 0.00015 -0.00003 0.00000 0.00000 0.00000
|
|
96 16F-3 0.00008 -0.00001 0.00001 0.00000 0.00000
|
|
97 3 H 1S 0.00864 -0.00189 -0.00080 0.00000 0.00000
|
|
98 2S 0.01289 -0.00292 -0.00152 0.00000 0.00000
|
|
99 3S 0.00538 -0.00121 -0.00060 0.00000 0.00000
|
|
100 4S 0.00065 -0.00012 -0.00007 0.00000 0.00000
|
|
101 5PX -0.00067 0.00014 0.00002 0.00000 0.00000
|
|
102 5PY -0.00004 0.00000 -0.00004 0.00000 0.00000
|
|
103 5PZ 0.00000 0.00000 0.00000 0.00002 0.00004
|
|
104 6PX -0.00030 0.00006 -0.00003 0.00000 0.00000
|
|
105 6PY -0.00036 0.00005 -0.00010 0.00000 0.00000
|
|
106 6PZ 0.00000 0.00000 0.00000 0.00007 0.00015
|
|
107 7PX 0.00034 -0.00011 -0.00011 0.00000 0.00000
|
|
108 7PY 0.00024 0.00011 0.00001 0.00000 0.00000
|
|
109 7PZ 0.00000 0.00000 0.00000 0.00004 0.00009
|
|
110 8D 0 -0.00005 0.00001 0.00001 0.00000 0.00000
|
|
111 8D+1 0.00000 0.00000 0.00000 -0.00001 -0.00002
|
|
112 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
113 8D+2 0.00012 -0.00002 0.00000 0.00000 0.00000
|
|
114 8D-2 0.00006 -0.00001 0.00002 0.00000 0.00000
|
|
115 9D 0 0.00002 -0.00001 0.00000 0.00000 0.00000
|
|
116 9D+1 0.00000 0.00000 0.00000 -0.00001 -0.00002
|
|
117 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
118 9D+2 -0.00030 0.00005 0.00004 0.00000 0.00000
|
|
119 9D-2 0.00014 -0.00004 0.00000 0.00000 0.00000
|
|
120 4 H 1S 0.00135 -0.00290 0.00004 0.00000 0.00000
|
|
121 2S 0.00125 -0.00365 0.00006 0.00000 0.00000
|
|
122 3S 0.00257 0.00048 -0.00048 0.00000 0.00000
|
|
123 4S -0.00060 0.00023 -0.00001 0.00000 0.00000
|
|
124 5PX 0.00009 -0.00022 0.00001 0.00000 0.00000
|
|
125 5PY 0.00017 0.00006 0.00000 0.00000 0.00000
|
|
126 5PZ 0.00000 0.00000 0.00000 -0.00001 -0.00002
|
|
127 6PX -0.00006 0.00001 0.00000 0.00000 0.00000
|
|
128 6PY 0.00063 -0.00005 0.00003 0.00000 0.00000
|
|
129 6PZ 0.00000 0.00000 0.00000 -0.00002 -0.00004
|
|
130 7PX 0.00033 0.00043 -0.00013 0.00000 0.00000
|
|
131 7PY -0.00005 -0.00011 -0.00003 0.00000 0.00000
|
|
132 7PZ 0.00000 0.00000 0.00000 0.00001 0.00003
|
|
133 8D 0 0.00001 0.00002 0.00000 0.00000 0.00000
|
|
134 8D+1 0.00000 0.00000 0.00000 0.00000 -0.00001
|
|
135 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
136 8D+2 0.00009 -0.00004 0.00000 0.00000 0.00000
|
|
137 8D-2 0.00009 0.00002 0.00000 0.00000 0.00000
|
|
138 9D 0 0.00001 -0.00003 0.00001 0.00000 0.00000
|
|
139 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
140 9D-1 0.00000 0.00000 0.00000 0.00000 -0.00001
|
|
141 9D+2 0.00021 0.00000 0.00001 0.00000 0.00000
|
|
142 9D-2 0.00002 -0.00003 0.00001 0.00000 0.00000
|
|
143 5 H 1S -0.00008 0.00119 -0.00013 -0.00027 -0.00066
|
|
144 2S -0.00116 0.00177 -0.00014 -0.00039 -0.00094
|
|
145 3S -0.00227 -0.00002 0.00038 -0.00029 -0.00066
|
|
146 4S -0.00009 -0.00004 0.00005 -0.00001 -0.00002
|
|
147 5PX -0.00003 0.00002 0.00000 0.00001 0.00003
|
|
148 5PY 0.00015 -0.00007 0.00002 0.00001 0.00002
|
|
149 5PZ -0.00001 -0.00011 0.00002 0.00001 0.00003
|
|
150 6PX -0.00004 0.00018 -0.00001 0.00001 0.00003
|
|
151 6PY 0.00083 -0.00012 0.00007 0.00000 -0.00001
|
|
152 6PZ 0.00014 -0.00012 0.00001 0.00000 -0.00001
|
|
153 7PX 0.00055 0.00008 -0.00001 0.00001 0.00002
|
|
154 7PY 0.00008 0.00011 -0.00004 0.00000 -0.00001
|
|
155 7PZ 0.00035 0.00008 -0.00007 0.00002 0.00004
|
|
156 8D 0 0.00003 0.00003 0.00000 0.00000 0.00000
|
|
157 8D+1 0.00002 -0.00001 0.00000 0.00000 -0.00001
|
|
158 8D-1 -0.00007 0.00003 -0.00001 0.00000 0.00000
|
|
159 8D+2 0.00006 -0.00002 0.00001 0.00000 0.00000
|
|
160 8D-2 -0.00004 0.00000 0.00000 0.00000 0.00000
|
|
161 9D 0 0.00008 0.00001 0.00001 0.00000 0.00001
|
|
162 9D+1 0.00004 -0.00003 0.00001 0.00000 0.00000
|
|
163 9D-1 -0.00005 0.00000 -0.00001 0.00000 0.00001
|
|
164 9D+2 0.00010 -0.00002 0.00001 0.00000 0.00000
|
|
165 9D-2 -0.00007 -0.00001 0.00000 0.00000 0.00000
|
|
166 6 H 1S -0.00008 0.00119 -0.00013 0.00027 0.00066
|
|
167 2S -0.00116 0.00177 -0.00014 0.00039 0.00094
|
|
168 3S -0.00227 -0.00002 0.00038 0.00029 0.00066
|
|
169 4S -0.00009 -0.00004 0.00005 0.00001 0.00002
|
|
170 5PX -0.00003 0.00002 0.00000 -0.00001 -0.00003
|
|
171 5PY 0.00015 -0.00007 0.00002 -0.00001 -0.00002
|
|
172 5PZ 0.00001 0.00011 -0.00002 0.00001 0.00003
|
|
173 6PX -0.00004 0.00018 -0.00001 -0.00001 -0.00003
|
|
174 6PY 0.00083 -0.00012 0.00007 0.00000 0.00001
|
|
175 6PZ -0.00014 0.00012 -0.00001 0.00000 -0.00001
|
|
176 7PX 0.00055 0.00008 -0.00001 -0.00001 -0.00002
|
|
177 7PY 0.00008 0.00011 -0.00004 0.00000 0.00001
|
|
178 7PZ -0.00035 -0.00008 0.00007 0.00002 0.00004
|
|
179 8D 0 0.00003 0.00003 0.00000 0.00000 0.00000
|
|
180 8D+1 -0.00002 0.00001 0.00000 0.00000 -0.00001
|
|
181 8D-1 0.00007 -0.00003 0.00001 0.00000 0.00000
|
|
182 8D+2 0.00006 -0.00002 0.00001 0.00000 0.00000
|
|
183 8D-2 -0.00004 0.00000 0.00000 0.00000 0.00000
|
|
184 9D 0 0.00008 0.00001 0.00001 0.00000 -0.00001
|
|
185 9D+1 -0.00004 0.00003 -0.00001 0.00000 0.00000
|
|
186 9D-1 0.00005 0.00000 0.00001 0.00000 0.00001
|
|
187 9D+2 0.00010 -0.00002 0.00001 0.00000 0.00000
|
|
188 9D-2 -0.00007 -0.00001 0.00000 0.00000 0.00000
|
|
81 82 83 84 85
|
|
81 14D+2 0.00016
|
|
82 14D-2 0.00002 0.00015
|
|
83 15F 0 0.00000 0.00000 0.00005
|
|
84 15F+1 -0.00013 -0.00004 0.00000 0.00014
|
|
85 15F-1 0.00008 -0.00007 0.00000 -0.00003 0.00011
|
|
86 15F+2 0.00000 0.00000 0.00002 0.00000 0.00000
|
|
87 15F-2 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
88 15F+3 0.00012 0.00010 0.00000 -0.00012 0.00002
|
|
89 15F-3 0.00001 -0.00008 0.00000 0.00004 0.00008
|
|
90 16F 0 0.00000 0.00000 0.00003 0.00000 0.00000
|
|
91 16F+1 -0.00002 -0.00001 0.00000 0.00002 -0.00001
|
|
92 16F-1 0.00000 -0.00001 0.00000 0.00001 0.00001
|
|
93 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
94 16F-2 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
95 16F+3 0.00003 -0.00001 0.00000 -0.00002 0.00002
|
|
96 16F-3 0.00003 0.00001 0.00000 -0.00003 0.00000
|
|
97 3 H 1S 0.00203 0.00076 0.00000 -0.00212 0.00040
|
|
98 2S 0.00307 0.00136 0.00000 -0.00324 0.00051
|
|
99 3S 0.00112 0.00031 0.00000 -0.00104 0.00048
|
|
100 4S 0.00011 -0.00001 0.00000 -0.00009 0.00009
|
|
101 5PX -0.00016 -0.00004 0.00000 0.00017 -0.00003
|
|
102 5PY 0.00001 0.00004 0.00000 -0.00002 -0.00003
|
|
103 5PZ 0.00000 0.00000 -0.00003 0.00000 0.00000
|
|
104 6PX -0.00008 -0.00003 0.00000 0.00011 0.00002
|
|
105 6PY -0.00004 0.00009 0.00000 -0.00001 -0.00010
|
|
106 6PZ 0.00000 0.00000 -0.00011 0.00000 0.00000
|
|
107 7PX 0.00012 0.00013 0.00000 -0.00016 -0.00005
|
|
108 7PY 0.00001 -0.00013 0.00000 0.00001 0.00009
|
|
109 7PZ 0.00000 0.00000 -0.00006 0.00000 0.00000
|
|
110 8D 0 -0.00001 -0.00001 0.00000 0.00002 0.00000
|
|
111 8D+1 0.00000 0.00000 0.00002 0.00000 0.00000
|
|
112 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
113 8D+2 0.00003 0.00001 0.00000 -0.00003 0.00000
|
|
114 8D-2 0.00000 -0.00002 0.00000 0.00001 0.00002
|
|
115 9D 0 0.00001 0.00001 0.00000 -0.00001 0.00000
|
|
116 9D+1 0.00000 0.00000 0.00002 0.00000 0.00000
|
|
117 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
118 9D+2 -0.00007 -0.00002 0.00000 0.00007 -0.00002
|
|
119 9D-2 0.00003 0.00001 0.00000 -0.00002 0.00001
|
|
120 4 H 1S 0.00005 0.00109 0.00000 0.00000 0.00001
|
|
121 2S 0.00002 0.00150 0.00000 -0.00001 -0.00012
|
|
122 3S 0.00048 -0.00041 0.00000 -0.00052 0.00035
|
|
123 4S -0.00011 -0.00005 0.00000 0.00008 -0.00007
|
|
124 5PX -0.00001 0.00007 0.00000 0.00001 0.00000
|
|
125 5PY 0.00003 -0.00006 0.00000 -0.00002 0.00004
|
|
126 5PZ 0.00000 0.00000 -0.00002 0.00000 0.00000
|
|
127 6PX -0.00002 -0.00001 0.00000 0.00000 -0.00001
|
|
128 6PY 0.00007 -0.00013 0.00000 -0.00001 0.00017
|
|
129 6PZ 0.00000 0.00000 -0.00004 0.00000 0.00000
|
|
130 7PX 0.00009 -0.00019 0.00000 -0.00011 0.00005
|
|
131 7PY -0.00002 0.00006 0.00000 0.00002 -0.00001
|
|
132 7PZ 0.00000 0.00000 -0.00003 0.00000 0.00000
|
|
133 8D 0 0.00000 -0.00001 0.00000 0.00000 0.00000
|
|
134 8D+1 0.00000 0.00000 -0.00001 0.00000 0.00000
|
|
135 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
136 8D+2 0.00001 0.00000 0.00000 0.00000 0.00002
|
|
137 8D-2 0.00001 -0.00003 0.00000 -0.00001 0.00002
|
|
138 9D 0 -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
139 9D+1 0.00000 0.00000 -0.00001 0.00000 0.00000
|
|
140 9D-1 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
141 9D+2 0.00004 -0.00003 0.00000 -0.00002 0.00004
|
|
142 9D-2 -0.00001 -0.00001 0.00000 0.00002 0.00001
|
|
143 5 H 1S -0.00035 -0.00095 -0.00042 -0.00003 0.00016
|
|
144 2S -0.00059 -0.00113 -0.00050 0.00002 -0.00002
|
|
145 3S -0.00042 0.00018 0.00065 0.00037 -0.00033
|
|
146 4S -0.00001 0.00002 0.00006 0.00001 -0.00002
|
|
147 5PX 0.00001 0.00001 0.00002 0.00000 -0.00001
|
|
148 5PY 0.00003 0.00001 0.00003 0.00000 0.00003
|
|
149 5PZ 0.00003 0.00008 0.00003 0.00001 -0.00002
|
|
150 6PX -0.00001 -0.00008 0.00002 -0.00001 0.00001
|
|
151 6PY 0.00011 -0.00014 0.00002 -0.00003 0.00020
|
|
152 6PZ 0.00004 0.00005 -0.00001 0.00000 0.00002
|
|
153 7PX 0.00007 -0.00014 -0.00008 -0.00007 0.00011
|
|
154 7PY -0.00001 -0.00008 -0.00005 -0.00002 0.00002
|
|
155 7PZ 0.00003 -0.00011 -0.00015 -0.00005 0.00007
|
|
156 8D 0 0.00000 -0.00003 0.00000 0.00000 0.00001
|
|
157 8D+1 0.00000 -0.00001 -0.00001 0.00000 0.00001
|
|
158 8D-1 -0.00001 0.00000 -0.00001 0.00000 -0.00002
|
|
159 8D+2 0.00001 -0.00001 0.00000 0.00000 0.00002
|
|
160 8D-2 -0.00001 0.00001 -0.00001 0.00000 -0.00001
|
|
161 9D 0 0.00001 -0.00002 0.00001 0.00000 0.00002
|
|
162 9D+1 0.00002 0.00001 0.00001 0.00000 0.00001
|
|
163 9D-1 0.00000 0.00002 0.00000 0.00000 -0.00002
|
|
164 9D+2 0.00001 -0.00002 0.00000 0.00000 0.00003
|
|
165 9D-2 -0.00001 0.00002 0.00000 0.00001 -0.00002
|
|
166 6 H 1S -0.00035 -0.00095 0.00042 -0.00003 0.00016
|
|
167 2S -0.00059 -0.00113 0.00050 0.00002 -0.00002
|
|
168 3S -0.00042 0.00018 -0.00065 0.00037 -0.00033
|
|
169 4S -0.00001 0.00002 -0.00006 0.00001 -0.00002
|
|
170 5PX 0.00001 0.00001 -0.00002 0.00000 -0.00001
|
|
171 5PY 0.00003 0.00001 -0.00003 0.00000 0.00003
|
|
172 5PZ -0.00003 -0.00008 0.00003 -0.00001 0.00002
|
|
173 6PX -0.00001 -0.00008 -0.00002 -0.00001 0.00001
|
|
174 6PY 0.00011 -0.00014 -0.00002 -0.00003 0.00020
|
|
175 6PZ -0.00004 -0.00005 -0.00001 0.00000 -0.00002
|
|
176 7PX 0.00007 -0.00014 0.00008 -0.00007 0.00011
|
|
177 7PY -0.00001 -0.00008 0.00005 -0.00002 0.00002
|
|
178 7PZ -0.00003 0.00011 -0.00015 0.00005 -0.00007
|
|
179 8D 0 0.00000 -0.00003 0.00000 0.00000 0.00001
|
|
180 8D+1 0.00000 0.00001 -0.00001 0.00000 -0.00001
|
|
181 8D-1 0.00001 0.00000 -0.00001 0.00000 0.00002
|
|
182 8D+2 0.00001 -0.00001 0.00000 0.00000 0.00002
|
|
183 8D-2 -0.00001 0.00001 0.00001 0.00000 -0.00001
|
|
184 9D 0 0.00001 -0.00002 -0.00001 0.00000 0.00002
|
|
185 9D+1 -0.00002 -0.00001 0.00001 0.00000 -0.00001
|
|
186 9D-1 0.00000 -0.00002 0.00000 0.00000 0.00002
|
|
187 9D+2 0.00001 -0.00002 0.00000 0.00000 0.00003
|
|
188 9D-2 -0.00001 0.00002 0.00000 0.00001 -0.00002
|
|
86 87 88 89 90
|
|
86 15F+2 0.00002
|
|
87 15F-2 0.00000 0.00000
|
|
88 15F+3 0.00000 0.00000 0.00016
|
|
89 15F-3 0.00000 0.00000 -0.00004 0.00010
|
|
90 16F 0 0.00000 0.00001 0.00000 0.00000 0.00002
|
|
91 16F+1 0.00000 0.00000 -0.00001 0.00000 0.00000
|
|
92 16F-1 0.00000 0.00000 -0.00001 0.00001 0.00000
|
|
93 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
94 16F-2 0.00000 0.00000 0.00000 0.00000 0.00001
|
|
95 16F+3 0.00000 0.00000 0.00002 0.00001 0.00000
|
|
96 16F-3 0.00000 0.00000 0.00002 -0.00001 0.00000
|
|
97 3 H 1S 0.00000 0.00000 0.00198 -0.00071 0.00000
|
|
98 2S 0.00000 0.00000 0.00306 -0.00116 0.00000
|
|
99 3S 0.00000 0.00000 0.00103 -0.00005 0.00000
|
|
100 4S 0.00000 0.00000 0.00009 0.00004 0.00000
|
|
101 5PX 0.00000 0.00000 -0.00015 0.00006 0.00000
|
|
102 5PY 0.00000 0.00000 0.00002 -0.00004 0.00000
|
|
103 5PZ 0.00000 -0.00001 0.00000 0.00000 -0.00002
|
|
104 6PX 0.00000 0.00000 -0.00010 0.00009 0.00000
|
|
105 6PY 0.00000 0.00000 0.00000 -0.00009 0.00000
|
|
106 6PZ 0.00001 -0.00004 0.00000 0.00000 -0.00008
|
|
107 7PX 0.00000 0.00000 0.00015 -0.00013 0.00000
|
|
108 7PY 0.00000 0.00000 -0.00007 0.00009 0.00000
|
|
109 7PZ 0.00001 -0.00002 0.00000 0.00000 -0.00005
|
|
110 8D 0 0.00000 0.00000 -0.00002 0.00002 0.00000
|
|
111 8D+1 0.00000 0.00000 0.00000 0.00000 0.00001
|
|
112 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
113 8D+2 0.00000 0.00000 0.00003 -0.00001 0.00000
|
|
114 8D-2 0.00000 0.00000 0.00000 0.00002 0.00000
|
|
115 9D 0 0.00000 0.00000 0.00001 -0.00001 0.00000
|
|
116 9D+1 0.00000 0.00001 0.00000 0.00000 0.00001
|
|
117 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
118 9D+2 0.00000 0.00000 -0.00006 0.00002 0.00000
|
|
119 9D-2 0.00000 0.00000 0.00003 0.00000 0.00000
|
|
120 4 H 1S 0.00000 0.00000 0.00128 -0.00008 0.00000
|
|
121 2S 0.00000 0.00000 0.00165 -0.00024 0.00000
|
|
122 3S 0.00000 0.00000 -0.00002 0.00011 0.00000
|
|
123 4S 0.00000 0.00000 -0.00014 -0.00002 0.00000
|
|
124 5PX 0.00000 0.00000 0.00009 0.00000 0.00000
|
|
125 5PY 0.00000 0.00000 -0.00003 0.00003 0.00000
|
|
126 5PZ -0.00002 0.00000 0.00000 0.00000 0.00000
|
|
127 6PX 0.00000 0.00000 0.00000 -0.00001 0.00000
|
|
128 6PY 0.00000 0.00000 -0.00001 0.00015 0.00000
|
|
129 6PZ -0.00006 0.00001 0.00000 0.00000 0.00000
|
|
130 7PX 0.00000 0.00000 -0.00015 0.00002 0.00000
|
|
131 7PY 0.00000 0.00000 0.00003 0.00001 0.00000
|
|
132 7PZ 0.00000 -0.00001 0.00000 0.00000 -0.00002
|
|
133 8D 0 0.00000 0.00000 -0.00001 0.00000 0.00000
|
|
134 8D+1 -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
135 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
136 8D+2 0.00000 0.00000 0.00002 0.00001 0.00000
|
|
137 8D-2 0.00000 0.00000 -0.00001 0.00002 0.00000
|
|
138 9D 0 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
139 9D+1 -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
140 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
141 9D+2 0.00000 0.00000 0.00001 0.00003 0.00000
|
|
142 9D-2 0.00000 0.00000 0.00000 0.00002 0.00000
|
|
143 5 H 1S -0.00072 0.00014 -0.00063 0.00009 0.00008
|
|
144 2S -0.00095 0.00020 -0.00091 -0.00007 0.00014
|
|
145 3S 0.00009 0.00017 -0.00012 -0.00016 0.00040
|
|
146 4S 0.00003 0.00001 0.00002 -0.00002 0.00002
|
|
147 5PX 0.00003 -0.00001 -0.00001 0.00000 0.00000
|
|
148 5PY 0.00003 0.00000 0.00003 0.00003 0.00000
|
|
149 5PZ 0.00004 -0.00001 0.00005 -0.00001 0.00000
|
|
150 6PX 0.00003 -0.00001 -0.00008 0.00001 0.00000
|
|
151 6PY 0.00001 0.00000 0.00003 0.00017 0.00001
|
|
152 6PZ -0.00002 0.00000 0.00006 0.00002 0.00000
|
|
153 7PX -0.00005 -0.00001 -0.00002 0.00006 -0.00003
|
|
154 7PY -0.00004 0.00000 -0.00005 0.00002 -0.00001
|
|
155 7PZ -0.00008 -0.00001 -0.00003 0.00004 -0.00006
|
|
156 8D 0 0.00000 0.00000 -0.00001 0.00001 0.00000
|
|
157 8D+1 -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
158 8D-1 -0.00001 0.00000 -0.00001 -0.00002 0.00000
|
|
159 8D+2 0.00000 0.00000 0.00001 0.00001 0.00000
|
|
160 8D-2 -0.00001 0.00000 0.00000 -0.00001 0.00000
|
|
161 9D 0 0.00001 0.00000 -0.00001 0.00002 0.00000
|
|
162 9D+1 0.00001 0.00000 0.00001 0.00001 0.00000
|
|
163 9D-1 0.00001 0.00000 0.00001 -0.00001 0.00000
|
|
164 9D+2 0.00000 0.00000 0.00000 0.00002 0.00000
|
|
165 9D-2 0.00000 0.00000 0.00001 -0.00001 0.00000
|
|
166 6 H 1S 0.00072 -0.00014 -0.00063 0.00009 -0.00008
|
|
167 2S 0.00095 -0.00020 -0.00091 -0.00007 -0.00014
|
|
168 3S -0.00009 -0.00017 -0.00012 -0.00016 -0.00040
|
|
169 4S -0.00003 -0.00001 0.00002 -0.00002 -0.00002
|
|
170 5PX -0.00003 0.00001 -0.00001 0.00000 0.00000
|
|
171 5PY -0.00003 0.00000 0.00003 0.00003 0.00000
|
|
172 5PZ 0.00004 -0.00001 -0.00005 0.00001 0.00000
|
|
173 6PX -0.00003 0.00001 -0.00008 0.00001 0.00000
|
|
174 6PY -0.00001 0.00000 0.00003 0.00017 -0.00001
|
|
175 6PZ -0.00002 0.00000 -0.00006 -0.00002 0.00000
|
|
176 7PX 0.00005 0.00001 -0.00002 0.00006 0.00003
|
|
177 7PY 0.00004 0.00000 -0.00005 0.00002 0.00001
|
|
178 7PZ -0.00008 -0.00001 0.00003 -0.00004 -0.00006
|
|
179 8D 0 0.00000 0.00000 -0.00001 0.00001 0.00000
|
|
180 8D+1 -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
181 8D-1 -0.00001 0.00000 0.00001 0.00002 0.00000
|
|
182 8D+2 0.00000 0.00000 0.00001 0.00001 0.00000
|
|
183 8D-2 0.00001 0.00000 0.00000 -0.00001 0.00000
|
|
184 9D 0 -0.00001 0.00000 -0.00001 0.00002 0.00000
|
|
185 9D+1 0.00001 0.00000 -0.00001 -0.00001 0.00000
|
|
186 9D-1 0.00001 0.00000 -0.00001 0.00001 0.00000
|
|
187 9D+2 0.00000 0.00000 0.00000 0.00002 0.00000
|
|
188 9D-2 0.00000 0.00000 0.00001 -0.00001 0.00000
|
|
91 92 93 94 95
|
|
91 16F+1 0.00000
|
|
92 16F-1 0.00000 0.00000
|
|
93 16F+2 0.00000 0.00000 0.00000
|
|
94 16F-2 0.00000 0.00000 0.00000 0.00000
|
|
95 16F+3 0.00000 0.00000 0.00000 0.00000 0.00001
|
|
96 16F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
97 3 H 1S -0.00021 -0.00016 0.00000 0.00000 0.00034
|
|
98 2S -0.00034 -0.00026 0.00000 0.00000 0.00049
|
|
99 3S -0.00015 -0.00007 0.00000 0.00000 0.00021
|
|
100 4S -0.00002 -0.00001 0.00000 0.00000 0.00003
|
|
101 5PX 0.00001 0.00001 0.00000 0.00000 -0.00003
|
|
102 5PY 0.00000 -0.00001 0.00000 0.00000 0.00000
|
|
103 5PZ 0.00000 0.00000 0.00000 -0.00001 0.00000
|
|
104 6PX 0.00000 0.00001 0.00000 0.00000 -0.00001
|
|
105 6PY 0.00000 -0.00001 0.00000 0.00000 -0.00002
|
|
106 6PZ 0.00000 0.00000 0.00001 -0.00003 0.00000
|
|
107 7PX -0.00001 -0.00002 0.00000 0.00000 0.00001
|
|
108 7PY -0.00001 0.00001 0.00000 0.00000 0.00001
|
|
109 7PZ 0.00000 0.00000 0.00000 -0.00002 0.00000
|
|
110 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
111 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
112 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
113 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
114 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
115 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
116 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
117 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
118 9D+2 0.00001 0.00001 0.00000 0.00000 -0.00001
|
|
119 9D-2 0.00000 0.00000 0.00000 0.00000 0.00001
|
|
120 4 H 1S -0.00001 -0.00002 0.00000 0.00000 0.00005
|
|
121 2S 0.00000 -0.00003 0.00000 0.00000 0.00004
|
|
122 3S -0.00010 -0.00005 0.00000 0.00000 0.00010
|
|
123 4S 0.00001 0.00000 0.00000 0.00000 -0.00002
|
|
124 5PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
125 5PY 0.00000 0.00000 0.00000 0.00000 0.00001
|
|
126 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
127 6PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
128 6PY -0.00001 0.00001 0.00000 0.00000 0.00003
|
|
129 6PZ 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
130 7PX -0.00002 -0.00001 0.00000 0.00000 0.00001
|
|
131 7PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
132 7PZ 0.00000 0.00000 0.00000 -0.00001 0.00000
|
|
133 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
134 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
135 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
136 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
137 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
138 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
139 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
140 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
141 9D+2 0.00000 0.00000 0.00000 0.00000 0.00001
|
|
142 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
143 5 H 1S -0.00004 -0.00005 -0.00002 0.00009 0.00002
|
|
144 2S -0.00002 -0.00008 -0.00003 0.00013 -0.00003
|
|
145 3S 0.00008 0.00003 -0.00003 0.00012 -0.00009
|
|
146 4S 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
147 5PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
148 5PY 0.00000 0.00000 0.00000 0.00000 0.00001
|
|
149 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
150 6PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
151 6PY -0.00001 0.00002 0.00000 0.00000 0.00004
|
|
152 6PZ 0.00000 0.00000 0.00000 0.00000 0.00001
|
|
153 7PX -0.00001 0.00000 0.00000 0.00000 0.00002
|
|
154 7PY -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
155 7PZ -0.00002 -0.00001 0.00000 -0.00001 0.00002
|
|
156 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
157 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
158 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
159 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
160 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
161 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
162 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
163 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
164 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
165 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
166 6 H 1S -0.00004 -0.00005 0.00002 -0.00009 0.00002
|
|
167 2S -0.00002 -0.00008 0.00003 -0.00013 -0.00003
|
|
168 3S 0.00008 0.00003 0.00003 -0.00012 -0.00009
|
|
169 4S 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
170 5PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
171 5PY 0.00000 0.00000 0.00000 0.00000 0.00001
|
|
172 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
173 6PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
174 6PY -0.00001 0.00002 0.00000 0.00000 0.00004
|
|
175 6PZ 0.00000 0.00000 0.00000 0.00000 -0.00001
|
|
176 7PX -0.00001 0.00000 0.00000 0.00000 0.00002
|
|
177 7PY -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
178 7PZ 0.00002 0.00001 0.00000 -0.00001 -0.00002
|
|
179 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
180 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
181 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
182 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
183 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
184 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
185 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
186 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
187 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
188 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
96 97 98 99 100
|
|
96 16F-3 0.00001
|
|
97 3 H 1S 0.00041 0.03303
|
|
98 2S 0.00059 0.05039 0.07747
|
|
99 3S 0.00010 0.01591 0.02466 0.00985
|
|
100 4S -0.00001 0.00137 0.00213 0.00113 0.00017
|
|
101 5PX -0.00004 -0.00263 -0.00393 -0.00116 -0.00009
|
|
102 5PY 0.00001 0.00036 0.00060 0.00007 -0.00001
|
|
103 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
104 6PX -0.00004 -0.00185 -0.00271 -0.00049 0.00000
|
|
105 6PY 0.00000 0.00005 0.00026 -0.00020 -0.00006
|
|
106 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
107 7PX 0.00004 0.00245 0.00384 0.00091 0.00003
|
|
108 7PY -0.00001 -0.00036 -0.00064 0.00012 0.00007
|
|
109 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
110 8D 0 -0.00001 -0.00032 -0.00048 -0.00011 0.00000
|
|
111 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
112 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
113 8D+2 0.00001 0.00049 0.00072 0.00020 0.00001
|
|
114 8D-2 0.00000 -0.00010 -0.00018 0.00002 0.00001
|
|
115 9D 0 0.00000 0.00016 0.00025 0.00006 0.00000
|
|
116 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
117 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
118 9D+2 -0.00001 -0.00103 -0.00160 -0.00057 -0.00006
|
|
119 9D-2 0.00000 0.00039 0.00058 0.00021 0.00002
|
|
120 4 H 1S -0.00025 0.00370 0.00672 0.00578 0.00091
|
|
121 2S -0.00027 0.00500 0.00897 0.00669 0.00097
|
|
122 3S 0.00003 0.00619 0.00948 0.00398 0.00060
|
|
123 4S -0.00001 -0.00141 -0.00214 -0.00099 -0.00012
|
|
124 5PX -0.00002 0.00020 0.00038 0.00044 0.00008
|
|
125 5PY 0.00000 0.00016 0.00018 0.00011 0.00002
|
|
126 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
127 6PX -0.00001 -0.00003 -0.00004 -0.00001 0.00001
|
|
128 6PY -0.00003 0.00004 -0.00004 0.00069 0.00017
|
|
129 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
130 7PX 0.00003 0.00088 0.00129 0.00020 0.00002
|
|
131 7PY -0.00002 -0.00025 -0.00027 0.00015 0.00004
|
|
132 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
133 8D 0 0.00000 -0.00002 -0.00005 -0.00003 0.00000
|
|
134 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
135 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
136 8D+2 0.00000 0.00010 0.00015 0.00016 0.00003
|
|
137 8D-2 0.00000 0.00006 0.00007 0.00008 0.00002
|
|
138 9D 0 0.00000 0.00003 0.00004 0.00006 0.00001
|
|
139 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
140 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
141 9D+2 0.00001 0.00029 0.00040 0.00020 0.00003
|
|
142 9D-2 -0.00001 -0.00021 -0.00031 0.00004 0.00003
|
|
143 5 H 1S -0.00016 -0.00149 -0.00277 0.00028 0.00048
|
|
144 2S -0.00016 -0.00277 -0.00489 -0.00130 0.00029
|
|
145 3S 0.00001 -0.00472 -0.00741 -0.00376 -0.00058
|
|
146 4S 0.00001 -0.00006 -0.00014 -0.00019 -0.00004
|
|
147 5PX 0.00001 -0.00001 -0.00002 -0.00012 -0.00003
|
|
148 5PY 0.00000 0.00009 0.00012 0.00014 0.00002
|
|
149 5PZ 0.00001 0.00009 0.00018 -0.00005 -0.00005
|
|
150 6PX 0.00001 -0.00016 -0.00031 -0.00023 -0.00002
|
|
151 6PY -0.00002 0.00038 0.00041 0.00089 0.00019
|
|
152 6PZ 0.00000 0.00019 0.00031 0.00019 0.00001
|
|
153 7PX 0.00000 0.00082 0.00112 0.00068 0.00014
|
|
154 7PY -0.00001 0.00005 0.00006 0.00015 0.00005
|
|
155 7PZ -0.00002 0.00048 0.00074 0.00064 0.00014
|
|
156 8D 0 0.00000 -0.00003 -0.00007 0.00002 0.00001
|
|
157 8D+1 0.00000 -0.00001 -0.00001 0.00004 0.00001
|
|
158 8D-1 0.00000 -0.00002 -0.00002 -0.00007 -0.00001
|
|
159 8D+2 0.00000 0.00001 0.00001 0.00007 0.00002
|
|
160 8D-2 0.00000 -0.00004 -0.00005 -0.00004 -0.00001
|
|
161 9D 0 0.00000 -0.00002 -0.00005 0.00002 0.00001
|
|
162 9D+1 0.00000 0.00001 0.00002 0.00002 -0.00001
|
|
163 9D-1 0.00001 0.00005 0.00010 -0.00007 -0.00003
|
|
164 9D+2 0.00000 -0.00002 -0.00004 0.00010 0.00003
|
|
165 9D-2 0.00000 -0.00007 -0.00008 -0.00008 -0.00002
|
|
166 6 H 1S -0.00016 -0.00149 -0.00277 0.00028 0.00048
|
|
167 2S -0.00016 -0.00277 -0.00489 -0.00130 0.00029
|
|
168 3S 0.00001 -0.00472 -0.00741 -0.00376 -0.00058
|
|
169 4S 0.00001 -0.00006 -0.00014 -0.00019 -0.00004
|
|
170 5PX 0.00001 -0.00001 -0.00002 -0.00012 -0.00003
|
|
171 5PY 0.00000 0.00009 0.00012 0.00014 0.00002
|
|
172 5PZ -0.00001 -0.00009 -0.00018 0.00005 0.00005
|
|
173 6PX 0.00001 -0.00016 -0.00031 -0.00023 -0.00002
|
|
174 6PY -0.00002 0.00038 0.00041 0.00089 0.00019
|
|
175 6PZ 0.00000 -0.00019 -0.00031 -0.00019 -0.00001
|
|
176 7PX 0.00000 0.00082 0.00112 0.00068 0.00014
|
|
177 7PY -0.00001 0.00005 0.00006 0.00015 0.00005
|
|
178 7PZ 0.00002 -0.00048 -0.00074 -0.00064 -0.00014
|
|
179 8D 0 0.00000 -0.00003 -0.00007 0.00002 0.00001
|
|
180 8D+1 0.00000 0.00001 0.00001 -0.00004 -0.00001
|
|
181 8D-1 0.00000 0.00002 0.00002 0.00007 0.00001
|
|
182 8D+2 0.00000 0.00001 0.00001 0.00007 0.00002
|
|
183 8D-2 0.00000 -0.00004 -0.00005 -0.00004 -0.00001
|
|
184 9D 0 0.00000 -0.00002 -0.00005 0.00002 0.00001
|
|
185 9D+1 0.00000 -0.00001 -0.00002 -0.00002 0.00001
|
|
186 9D-1 -0.00001 -0.00005 -0.00010 0.00007 0.00003
|
|
187 9D+2 0.00000 -0.00002 -0.00004 0.00010 0.00003
|
|
188 9D-2 0.00000 -0.00007 -0.00008 -0.00008 -0.00002
|
|
101 102 103 104 105
|
|
101 5PX 0.00022
|
|
102 5PY -0.00003 0.00002
|
|
103 5PZ 0.00000 0.00000 0.00003
|
|
104 6PX 0.00017 -0.00003 0.00000 0.00020
|
|
105 6PY 0.00001 0.00004 0.00000 -0.00002 0.00012
|
|
106 6PZ 0.00000 0.00000 0.00011 0.00000 0.00000
|
|
107 7PX -0.00019 0.00006 0.00000 -0.00017 0.00009
|
|
108 7PY 0.00003 -0.00003 0.00000 0.00006 -0.00008
|
|
109 7PZ 0.00000 0.00000 0.00006 0.00000 0.00000
|
|
110 8D 0 0.00003 -0.00001 0.00000 0.00003 -0.00001
|
|
111 8D+1 0.00000 0.00000 -0.00001 0.00000 0.00000
|
|
112 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
113 8D+2 -0.00004 0.00001 0.00000 -0.00004 0.00000
|
|
114 8D-2 0.00001 -0.00001 0.00000 0.00001 -0.00003
|
|
115 9D 0 -0.00001 0.00000 0.00000 -0.00001 0.00000
|
|
116 9D+1 0.00000 0.00000 -0.00002 0.00000 0.00000
|
|
117 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
118 9D+2 0.00008 -0.00001 0.00000 0.00004 0.00000
|
|
119 9D-2 -0.00003 0.00000 0.00000 -0.00002 -0.00001
|
|
120 4 H 1S -0.00012 -0.00016 0.00000 0.00026 -0.00032
|
|
121 2S -0.00020 -0.00015 0.00000 0.00019 -0.00029
|
|
122 3S -0.00045 0.00003 0.00000 -0.00015 -0.00010
|
|
123 4S 0.00011 0.00001 0.00000 0.00004 0.00007
|
|
124 5PX 0.00000 -0.00002 0.00000 0.00003 -0.00003
|
|
125 5PY -0.00002 -0.00001 0.00000 0.00000 -0.00003
|
|
126 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
127 6PX 0.00000 0.00000 0.00000 -0.00001 0.00000
|
|
128 6PY 0.00001 -0.00006 0.00000 0.00010 -0.00016
|
|
129 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
130 7PX -0.00007 0.00003 0.00000 -0.00006 0.00004
|
|
131 7PY 0.00004 -0.00001 0.00000 0.00006 0.00000
|
|
132 7PZ 0.00000 0.00000 0.00002 0.00000 0.00000
|
|
133 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
134 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
135 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
136 8D+2 0.00000 -0.00001 0.00000 0.00001 -0.00002
|
|
137 8D-2 -0.00001 -0.00001 0.00000 0.00000 -0.00002
|
|
138 9D 0 0.00000 0.00000 0.00000 0.00000 -0.00001
|
|
139 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
140 9D-1 0.00000 0.00000 -0.00001 0.00000 0.00000
|
|
141 9D+2 -0.00002 -0.00001 0.00000 0.00000 -0.00003
|
|
142 9D-2 0.00002 -0.00001 0.00000 0.00003 -0.00002
|
|
143 5 H 1S 0.00008 -0.00008 -0.00013 0.00006 -0.00019
|
|
144 2S 0.00014 -0.00003 -0.00022 -0.00006 -0.00003
|
|
145 3S 0.00030 0.00001 -0.00054 -0.00002 0.00014
|
|
146 4S -0.00001 0.00000 -0.00003 -0.00003 0.00000
|
|
147 5PX 0.00000 0.00001 0.00000 -0.00001 0.00002
|
|
148 5PY -0.00001 -0.00001 0.00000 0.00001 -0.00003
|
|
149 5PZ 0.00000 0.00001 0.00000 -0.00001 0.00002
|
|
150 6PX 0.00001 0.00001 0.00001 -0.00001 0.00001
|
|
151 6PY -0.00002 -0.00007 -0.00001 0.00008 -0.00020
|
|
152 6PZ -0.00001 -0.00001 0.00000 0.00001 -0.00002
|
|
153 7PX -0.00007 -0.00002 0.00004 -0.00002 -0.00009
|
|
154 7PY 0.00000 0.00000 0.00001 0.00001 -0.00001
|
|
155 7PZ -0.00003 -0.00001 0.00007 0.00003 -0.00005
|
|
156 8D 0 0.00000 0.00000 0.00000 0.00000 -0.00001
|
|
157 8D+1 0.00000 0.00000 0.00000 0.00000 -0.00001
|
|
158 8D-1 0.00000 0.00001 0.00000 -0.00001 0.00002
|
|
159 8D+2 0.00000 -0.00001 0.00000 0.00001 -0.00002
|
|
160 8D-2 0.00000 0.00000 0.00000 0.00000 0.00001
|
|
161 9D 0 0.00000 -0.00001 0.00000 0.00001 -0.00002
|
|
162 9D+1 0.00000 0.00000 0.00000 0.00001 -0.00001
|
|
163 9D-1 0.00000 0.00001 0.00000 -0.00001 0.00002
|
|
164 9D+2 0.00000 -0.00001 0.00000 0.00002 -0.00003
|
|
165 9D-2 0.00001 0.00000 0.00000 0.00000 0.00002
|
|
166 6 H 1S 0.00008 -0.00008 0.00013 0.00006 -0.00019
|
|
167 2S 0.00014 -0.00003 0.00022 -0.00006 -0.00003
|
|
168 3S 0.00030 0.00001 0.00054 -0.00002 0.00014
|
|
169 4S -0.00001 0.00000 0.00003 -0.00003 0.00000
|
|
170 5PX 0.00000 0.00001 0.00000 -0.00001 0.00002
|
|
171 5PY -0.00001 -0.00001 0.00000 0.00001 -0.00003
|
|
172 5PZ 0.00000 -0.00001 0.00000 0.00001 -0.00002
|
|
173 6PX 0.00001 0.00001 -0.00001 -0.00001 0.00001
|
|
174 6PY -0.00002 -0.00007 0.00001 0.00008 -0.00020
|
|
175 6PZ 0.00001 0.00001 0.00000 -0.00001 0.00002
|
|
176 7PX -0.00007 -0.00002 -0.00004 -0.00002 -0.00009
|
|
177 7PY 0.00000 0.00000 -0.00001 0.00001 -0.00001
|
|
178 7PZ 0.00003 0.00001 0.00007 -0.00003 0.00005
|
|
179 8D 0 0.00000 0.00000 0.00000 0.00000 -0.00001
|
|
180 8D+1 0.00000 0.00000 0.00000 0.00000 0.00001
|
|
181 8D-1 0.00000 -0.00001 0.00000 0.00001 -0.00002
|
|
182 8D+2 0.00000 -0.00001 0.00000 0.00001 -0.00002
|
|
183 8D-2 0.00000 0.00000 0.00000 0.00000 0.00001
|
|
184 9D 0 0.00000 -0.00001 0.00000 0.00001 -0.00002
|
|
185 9D+1 0.00000 0.00000 0.00000 -0.00001 0.00001
|
|
186 9D-1 0.00000 -0.00001 0.00000 0.00001 -0.00002
|
|
187 9D+2 0.00000 -0.00001 0.00000 0.00002 -0.00003
|
|
188 9D-2 0.00001 0.00000 0.00000 0.00000 0.00002
|
|
106 107 108 109 110
|
|
106 6PZ 0.00038
|
|
107 7PX 0.00000 0.00026
|
|
108 7PY 0.00000 -0.00011 0.00016
|
|
109 7PZ 0.00022 0.00000 0.00000 0.00013
|
|
110 8D 0 0.00000 -0.00003 0.00001 0.00000 0.00000
|
|
111 8D+1 -0.00005 0.00000 0.00000 -0.00003 0.00000
|
|
112 8D-1 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
113 8D+2 0.00000 0.00004 -0.00001 0.00000 -0.00001
|
|
114 8D-2 0.00000 -0.00003 0.00002 0.00000 0.00000
|
|
115 9D 0 0.00000 0.00002 -0.00001 0.00000 0.00000
|
|
116 9D+1 -0.00006 0.00000 0.00000 -0.00003 0.00000
|
|
117 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
118 9D+2 0.00000 -0.00007 0.00000 0.00000 0.00001
|
|
119 9D-2 0.00000 0.00002 -0.00001 0.00000 0.00000
|
|
120 4 H 1S 0.00000 -0.00003 -0.00090 0.00000 0.00004
|
|
121 2S 0.00000 0.00013 -0.00133 0.00000 0.00004
|
|
122 3S 0.00000 0.00025 0.00072 0.00000 -0.00005
|
|
123 4S 0.00000 -0.00005 0.00002 0.00000 0.00001
|
|
124 5PX 0.00000 -0.00002 -0.00006 0.00000 0.00000
|
|
125 5PY 0.00000 -0.00002 0.00007 0.00000 0.00000
|
|
126 5PZ 0.00000 0.00000 0.00000 -0.00001 0.00000
|
|
127 6PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
128 6PY 0.00000 -0.00015 0.00018 0.00000 0.00002
|
|
129 6PZ -0.00001 0.00000 0.00000 -0.00002 0.00000
|
|
130 7PX 0.00000 0.00007 0.00024 0.00000 -0.00002
|
|
131 7PY 0.00000 -0.00003 -0.00003 0.00000 0.00001
|
|
132 7PZ 0.00008 0.00000 0.00000 0.00005 0.00000
|
|
133 8D 0 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
134 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
135 8D-1 -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
136 8D+2 0.00000 -0.00001 0.00001 0.00000 0.00000
|
|
137 8D-2 0.00000 -0.00001 0.00003 0.00000 0.00000
|
|
138 9D 0 0.00000 -0.00001 0.00000 0.00000 0.00000
|
|
139 9D+1 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
140 9D-1 -0.00002 0.00000 0.00000 -0.00001 0.00000
|
|
141 9D+2 0.00000 0.00000 0.00003 0.00000 0.00000
|
|
142 9D-2 0.00000 -0.00004 0.00001 0.00000 0.00000
|
|
143 5 H 1S -0.00047 -0.00047 0.00110 -0.00049 0.00001
|
|
144 2S -0.00079 -0.00045 0.00121 -0.00075 -0.00001
|
|
145 3S -0.00185 -0.00013 -0.00047 -0.00101 0.00002
|
|
146 4S -0.00011 0.00001 -0.00005 -0.00005 0.00000
|
|
147 5PX 0.00001 0.00002 -0.00002 0.00002 0.00000
|
|
148 5PY -0.00001 -0.00002 0.00000 0.00000 0.00000
|
|
149 5PZ 0.00002 0.00004 -0.00010 0.00002 0.00000
|
|
150 6PX 0.00002 -0.00001 0.00008 0.00002 0.00000
|
|
151 6PY -0.00004 -0.00015 0.00018 -0.00002 0.00001
|
|
152 6PZ 0.00000 0.00001 -0.00005 -0.00001 0.00000
|
|
153 7PX 0.00013 -0.00004 0.00019 0.00006 0.00000
|
|
154 7PY 0.00005 -0.00003 0.00011 0.00001 0.00000
|
|
155 7PZ 0.00025 -0.00004 0.00017 0.00011 0.00000
|
|
156 8D 0 -0.00001 -0.00002 0.00003 0.00000 0.00000
|
|
157 8D+1 -0.00001 -0.00001 0.00001 -0.00001 0.00000
|
|
158 8D-1 0.00000 0.00001 0.00000 0.00000 0.00000
|
|
159 8D+2 -0.00001 -0.00001 0.00001 0.00000 0.00000
|
|
160 8D-2 0.00000 0.00000 -0.00001 0.00000 0.00000
|
|
161 9D 0 0.00000 -0.00002 0.00002 0.00000 0.00000
|
|
162 9D+1 0.00000 0.00000 -0.00002 0.00000 0.00000
|
|
163 9D-1 0.00001 0.00003 -0.00003 0.00001 0.00000
|
|
164 9D+2 0.00000 -0.00003 0.00002 0.00000 0.00000
|
|
165 9D-2 0.00001 0.00001 -0.00003 0.00000 0.00000
|
|
166 6 H 1S 0.00047 -0.00047 0.00110 0.00049 0.00001
|
|
167 2S 0.00079 -0.00045 0.00121 0.00075 -0.00001
|
|
168 3S 0.00185 -0.00013 -0.00047 0.00101 0.00002
|
|
169 4S 0.00011 0.00001 -0.00005 0.00005 0.00000
|
|
170 5PX -0.00001 0.00002 -0.00002 -0.00002 0.00000
|
|
171 5PY 0.00001 -0.00002 0.00000 0.00000 0.00000
|
|
172 5PZ 0.00002 -0.00004 0.00010 0.00002 0.00000
|
|
173 6PX -0.00002 -0.00001 0.00008 -0.00002 0.00000
|
|
174 6PY 0.00004 -0.00015 0.00018 0.00002 0.00001
|
|
175 6PZ 0.00000 -0.00001 0.00005 -0.00001 0.00000
|
|
176 7PX -0.00013 -0.00004 0.00019 -0.00006 0.00000
|
|
177 7PY -0.00005 -0.00003 0.00011 -0.00001 0.00000
|
|
178 7PZ 0.00025 0.00004 -0.00017 0.00011 0.00000
|
|
179 8D 0 0.00001 -0.00002 0.00003 0.00000 0.00000
|
|
180 8D+1 -0.00001 0.00001 -0.00001 -0.00001 0.00000
|
|
181 8D-1 0.00000 -0.00001 0.00000 0.00000 0.00000
|
|
182 8D+2 0.00001 -0.00001 0.00001 0.00000 0.00000
|
|
183 8D-2 0.00000 0.00000 -0.00001 0.00000 0.00000
|
|
184 9D 0 0.00000 -0.00002 0.00002 0.00000 0.00000
|
|
185 9D+1 0.00000 0.00000 0.00002 0.00000 0.00000
|
|
186 9D-1 0.00001 -0.00003 0.00003 0.00001 0.00000
|
|
187 9D+2 0.00000 -0.00003 0.00002 0.00000 0.00000
|
|
188 9D-2 -0.00001 0.00001 -0.00003 0.00000 0.00000
|
|
111 112 113 114 115
|
|
111 8D+1 0.00001
|
|
112 8D-1 0.00000 0.00000
|
|
113 8D+2 0.00000 0.00000 0.00001
|
|
114 8D-2 0.00000 0.00000 0.00000 0.00001
|
|
115 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
116 9D+1 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
117 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
118 9D+2 0.00000 0.00000 -0.00001 0.00000 0.00000
|
|
119 9D-2 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
120 4 H 1S 0.00000 0.00000 -0.00001 0.00008 0.00005
|
|
121 2S 0.00000 0.00000 0.00000 0.00006 0.00008
|
|
122 3S 0.00000 0.00000 0.00008 0.00002 0.00000
|
|
123 4S 0.00000 0.00000 -0.00002 -0.00001 -0.00001
|
|
124 5PX 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
125 5PY 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
126 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
127 6PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
128 6PY 0.00000 0.00000 -0.00001 0.00004 -0.00001
|
|
129 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
130 7PX 0.00000 0.00000 0.00002 -0.00001 -0.00001
|
|
131 7PY 0.00000 0.00000 -0.00001 0.00000 0.00000
|
|
132 7PZ -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
133 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
134 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
135 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
136 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
137 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
138 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
139 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
140 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
141 9D+2 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
142 9D-2 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
143 5 H 1S 0.00004 0.00002 0.00000 0.00005 -0.00005
|
|
144 2S 0.00008 0.00002 0.00001 0.00001 -0.00005
|
|
145 3S 0.00024 -0.00004 -0.00005 -0.00004 0.00000
|
|
146 4S 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
147 5PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
148 5PY 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
149 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
150 6PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
151 6PY 0.00000 0.00000 0.00000 0.00005 -0.00001
|
|
152 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
153 7PX -0.00002 0.00000 0.00001 0.00002 0.00000
|
|
154 7PY -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
155 7PZ -0.00003 0.00001 0.00000 0.00001 0.00000
|
|
156 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
157 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
158 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
159 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
160 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
161 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
162 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
163 9D-1 0.00000 0.00000 0.00000 -0.00001 0.00000
|
|
164 9D+2 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
165 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
166 6 H 1S -0.00004 -0.00002 0.00000 0.00005 -0.00005
|
|
167 2S -0.00008 -0.00002 0.00001 0.00001 -0.00005
|
|
168 3S -0.00024 0.00004 -0.00005 -0.00004 0.00000
|
|
169 4S -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
170 5PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
171 5PY 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
172 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
173 6PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
174 6PY 0.00000 0.00000 0.00000 0.00005 -0.00001
|
|
175 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
176 7PX 0.00002 0.00000 0.00001 0.00002 0.00000
|
|
177 7PY 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
178 7PZ -0.00003 0.00001 0.00000 -0.00001 0.00000
|
|
179 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
180 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
181 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
182 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
183 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
184 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
185 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
186 9D-1 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
187 9D+2 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
188 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
116 117 118 119 120
|
|
116 9D+1 0.00001
|
|
117 9D-1 0.00000 0.00000
|
|
118 9D+2 0.00000 0.00000 0.00004
|
|
119 9D-2 0.00000 0.00000 -0.00001 0.00001
|
|
120 4 H 1S 0.00000 0.00000 -0.00009 0.00022 0.03747
|
|
121 2S 0.00000 0.00000 -0.00010 0.00028 0.04645
|
|
122 3S 0.00000 0.00000 -0.00030 0.00002 -0.00745
|
|
123 4S 0.00000 0.00000 0.00004 -0.00003 -0.00176
|
|
124 5PX 0.00000 0.00000 -0.00001 0.00002 0.00312
|
|
125 5PY 0.00000 0.00000 -0.00001 0.00000 -0.00095
|
|
126 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
127 6PX 0.00000 0.00000 0.00000 0.00000 0.00031
|
|
128 6PY 0.00000 0.00000 -0.00002 0.00001 0.00063
|
|
129 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
130 7PX 0.00000 0.00000 -0.00005 -0.00002 -0.00565
|
|
131 7PY 0.00000 0.00000 0.00000 0.00000 0.00170
|
|
132 7PZ -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
133 8D 0 0.00000 0.00000 0.00000 0.00000 -0.00032
|
|
134 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
135 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
136 8D+2 0.00000 0.00000 0.00000 0.00000 0.00054
|
|
137 8D-2 0.00000 0.00000 0.00000 0.00000 -0.00027
|
|
138 9D 0 0.00000 0.00000 0.00000 0.00000 0.00053
|
|
139 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
140 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
141 9D+2 0.00000 0.00000 -0.00001 0.00001 -0.00043
|
|
142 9D-2 0.00000 0.00000 0.00000 0.00000 0.00067
|
|
143 5 H 1S 0.00010 -0.00001 -0.00009 -0.00009 -0.00353
|
|
144 2S 0.00016 -0.00001 -0.00005 -0.00014 -0.00749
|
|
145 3S 0.00029 0.00000 0.00023 -0.00004 0.00192
|
|
146 4S 0.00002 0.00000 0.00001 0.00000 0.00028
|
|
147 5PX 0.00000 0.00000 0.00000 0.00000 -0.00062
|
|
148 5PY 0.00000 0.00000 0.00000 0.00001 0.00038
|
|
149 5PZ 0.00000 0.00000 0.00001 0.00001 0.00034
|
|
150 6PX 0.00000 0.00000 0.00000 -0.00001 -0.00198
|
|
151 6PY 0.00001 0.00000 -0.00003 0.00002 0.00094
|
|
152 6PZ 0.00000 0.00000 0.00000 0.00001 0.00078
|
|
153 7PX -0.00002 0.00000 -0.00004 0.00001 -0.00089
|
|
154 7PY -0.00001 0.00000 -0.00002 -0.00001 -0.00068
|
|
155 7PZ -0.00004 0.00000 -0.00004 0.00000 -0.00023
|
|
156 8D 0 0.00000 0.00000 0.00000 0.00000 -0.00017
|
|
157 8D+1 0.00000 0.00000 0.00000 0.00000 0.00019
|
|
158 8D-1 0.00000 0.00000 0.00000 0.00000 -0.00019
|
|
159 8D+2 0.00000 0.00000 0.00000 0.00000 0.00020
|
|
160 8D-2 0.00000 0.00000 0.00000 0.00000 0.00004
|
|
161 9D 0 0.00000 0.00000 0.00000 0.00000 -0.00028
|
|
162 9D+1 0.00000 0.00000 0.00000 0.00000 0.00001
|
|
163 9D-1 0.00000 0.00000 0.00000 0.00000 -0.00022
|
|
164 9D+2 0.00000 0.00000 0.00000 0.00000 0.00023
|
|
165 9D-2 0.00000 0.00000 0.00001 0.00000 0.00007
|
|
166 6 H 1S -0.00010 0.00001 -0.00009 -0.00009 -0.00353
|
|
167 2S -0.00016 0.00001 -0.00005 -0.00014 -0.00749
|
|
168 3S -0.00029 0.00000 0.00023 -0.00004 0.00192
|
|
169 4S -0.00002 0.00000 0.00001 0.00000 0.00028
|
|
170 5PX 0.00000 0.00000 0.00000 0.00000 -0.00062
|
|
171 5PY 0.00000 0.00000 0.00000 0.00001 0.00038
|
|
172 5PZ 0.00000 0.00000 -0.00001 -0.00001 -0.00034
|
|
173 6PX 0.00000 0.00000 0.00000 -0.00001 -0.00198
|
|
174 6PY -0.00001 0.00000 -0.00003 0.00002 0.00094
|
|
175 6PZ 0.00000 0.00000 0.00000 -0.00001 -0.00078
|
|
176 7PX 0.00002 0.00000 -0.00004 0.00001 -0.00089
|
|
177 7PY 0.00001 0.00000 -0.00002 -0.00001 -0.00068
|
|
178 7PZ -0.00004 0.00000 0.00004 0.00000 0.00023
|
|
179 8D 0 0.00000 0.00000 0.00000 0.00000 -0.00017
|
|
180 8D+1 0.00000 0.00000 0.00000 0.00000 -0.00019
|
|
181 8D-1 0.00000 0.00000 0.00000 0.00000 0.00019
|
|
182 8D+2 0.00000 0.00000 0.00000 0.00000 0.00020
|
|
183 8D-2 0.00000 0.00000 0.00000 0.00000 0.00004
|
|
184 9D 0 0.00000 0.00000 0.00000 0.00000 -0.00028
|
|
185 9D+1 0.00000 0.00000 0.00000 0.00000 -0.00001
|
|
186 9D-1 0.00000 0.00000 0.00000 0.00000 0.00022
|
|
187 9D+2 0.00000 0.00000 0.00000 0.00000 0.00023
|
|
188 9D-2 0.00000 0.00000 0.00001 0.00000 0.00007
|
|
121 122 123 124 125
|
|
121 2S 0.05796
|
|
122 3S -0.01005 0.00645
|
|
123 4S -0.00214 0.00005 0.00017
|
|
124 5PX 0.00385 -0.00055 -0.00014 0.00026
|
|
125 5PY -0.00125 0.00044 0.00002 -0.00008 0.00005
|
|
126 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
127 6PX 0.00038 0.00003 0.00000 0.00003 -0.00001
|
|
128 6PY 0.00047 0.00064 -0.00011 0.00007 0.00006
|
|
129 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
130 7PX -0.00716 0.00219 0.00022 -0.00046 0.00019
|
|
131 7PY 0.00209 -0.00037 -0.00006 0.00014 -0.00005
|
|
132 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
133 8D 0 -0.00040 0.00007 0.00001 -0.00003 0.00001
|
|
134 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
135 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
136 8D+2 0.00064 -0.00002 -0.00003 0.00005 -0.00001
|
|
137 8D-2 -0.00038 0.00018 0.00000 -0.00002 0.00002
|
|
138 9D 0 0.00065 -0.00006 -0.00002 0.00005 -0.00001
|
|
139 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
140 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
141 9D+2 -0.00057 0.00020 -0.00002 -0.00004 0.00003
|
|
142 9D-2 0.00078 -0.00006 -0.00003 0.00006 -0.00001
|
|
143 5 H 1S -0.00580 0.00629 0.00044 -0.00002 0.00040
|
|
144 2S -0.01062 0.00739 0.00082 -0.00029 0.00048
|
|
145 3S 0.00313 -0.00386 0.00018 0.00013 -0.00025
|
|
146 4S 0.00043 -0.00037 -0.00001 0.00002 -0.00002
|
|
147 5PX -0.00072 -0.00005 0.00002 -0.00006 0.00001
|
|
148 5PY 0.00046 -0.00013 -0.00005 0.00003 0.00000
|
|
149 5PZ 0.00055 -0.00059 -0.00004 0.00000 -0.00004
|
|
150 6PX -0.00250 0.00059 0.00010 -0.00016 0.00006
|
|
151 6PY 0.00084 0.00057 -0.00015 0.00009 0.00006
|
|
152 6PZ 0.00099 -0.00036 -0.00007 0.00005 -0.00003
|
|
153 7PX -0.00135 0.00117 -0.00002 -0.00005 0.00009
|
|
154 7PY -0.00099 0.00067 0.00004 -0.00004 0.00005
|
|
155 7PZ -0.00055 0.00108 -0.00001 0.00001 0.00007
|
|
156 8D 0 -0.00025 0.00016 0.00001 -0.00001 0.00001
|
|
157 8D+1 0.00021 0.00002 -0.00001 0.00002 0.00000
|
|
158 8D-1 -0.00022 0.00004 0.00002 -0.00001 0.00000
|
|
159 8D+2 0.00022 0.00000 -0.00002 0.00002 0.00000
|
|
160 8D-2 0.00005 -0.00003 0.00000 0.00000 0.00000
|
|
161 9D 0 -0.00038 0.00008 0.00000 -0.00003 0.00001
|
|
162 9D+1 0.00003 -0.00012 -0.00001 -0.00001 0.00000
|
|
163 9D-1 -0.00022 -0.00011 0.00001 -0.00002 -0.00001
|
|
164 9D+2 0.00024 0.00004 -0.00002 0.00002 0.00001
|
|
165 9D-2 0.00013 -0.00016 0.00000 0.00000 -0.00001
|
|
166 6 H 1S -0.00580 0.00629 0.00044 -0.00002 0.00040
|
|
167 2S -0.01062 0.00739 0.00082 -0.00029 0.00048
|
|
168 3S 0.00313 -0.00386 0.00018 0.00013 -0.00025
|
|
169 4S 0.00043 -0.00037 -0.00001 0.00002 -0.00002
|
|
170 5PX -0.00072 -0.00005 0.00002 -0.00006 0.00001
|
|
171 5PY 0.00046 -0.00013 -0.00005 0.00003 0.00000
|
|
172 5PZ -0.00055 0.00059 0.00004 0.00000 0.00004
|
|
173 6PX -0.00250 0.00059 0.00010 -0.00016 0.00006
|
|
174 6PY 0.00084 0.00057 -0.00015 0.00009 0.00006
|
|
175 6PZ -0.00099 0.00036 0.00007 -0.00005 0.00003
|
|
176 7PX -0.00135 0.00117 -0.00002 -0.00005 0.00009
|
|
177 7PY -0.00099 0.00067 0.00004 -0.00004 0.00005
|
|
178 7PZ 0.00055 -0.00108 0.00001 -0.00001 -0.00007
|
|
179 8D 0 -0.00025 0.00016 0.00001 -0.00001 0.00001
|
|
180 8D+1 -0.00021 -0.00002 0.00001 -0.00002 0.00000
|
|
181 8D-1 0.00022 -0.00004 -0.00002 0.00001 0.00000
|
|
182 8D+2 0.00022 0.00000 -0.00002 0.00002 0.00000
|
|
183 8D-2 0.00005 -0.00003 0.00000 0.00000 0.00000
|
|
184 9D 0 -0.00038 0.00008 0.00000 -0.00003 0.00001
|
|
185 9D+1 -0.00003 0.00012 0.00001 0.00001 0.00000
|
|
186 9D-1 0.00022 0.00011 -0.00001 0.00002 0.00001
|
|
187 9D+2 0.00024 0.00004 -0.00002 0.00002 0.00001
|
|
188 9D-2 0.00013 -0.00016 0.00000 0.00000 -0.00001
|
|
126 127 128 129 130
|
|
126 5PZ 0.00002
|
|
127 6PX 0.00000 0.00002
|
|
128 6PY 0.00000 0.00000 0.00033
|
|
129 6PZ 0.00006 0.00000 0.00000 0.00015
|
|
130 7PX 0.00000 -0.00002 0.00004 0.00000 0.00109
|
|
131 7PY 0.00000 0.00001 0.00003 0.00000 -0.00026
|
|
132 7PZ 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
133 8D 0 0.00000 0.00000 0.00000 0.00000 0.00005
|
|
134 8D+1 0.00001 0.00000 0.00000 0.00002 0.00000
|
|
135 8D-1 0.00000 0.00000 0.00000 -0.00001 0.00000
|
|
136 8D+2 0.00000 0.00001 0.00004 0.00000 -0.00006
|
|
137 8D-2 0.00000 0.00000 0.00004 0.00000 0.00006
|
|
138 9D 0 0.00000 0.00001 0.00002 0.00000 -0.00007
|
|
139 9D+1 0.00001 0.00000 0.00000 0.00002 0.00000
|
|
140 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
141 9D+2 0.00000 -0.00001 0.00005 0.00000 0.00008
|
|
142 9D-2 0.00000 0.00001 0.00005 0.00000 -0.00009
|
|
143 5 H 1S 0.00070 0.00041 0.00094 0.00175 0.00177
|
|
144 2S 0.00092 0.00051 0.00072 0.00231 0.00247
|
|
145 3S -0.00011 0.00001 -0.00063 -0.00027 -0.00103
|
|
146 4S -0.00003 0.00000 -0.00006 -0.00008 -0.00011
|
|
147 5PX -0.00003 -0.00002 -0.00004 -0.00008 0.00006
|
|
148 5PY -0.00003 -0.00001 0.00004 -0.00007 -0.00008
|
|
149 5PZ -0.00004 -0.00004 -0.00009 -0.00010 -0.00017
|
|
150 6PX -0.00003 0.00000 0.00000 -0.00008 0.00034
|
|
151 6PY -0.00001 0.00000 0.00036 -0.00002 -0.00001
|
|
152 6PZ 0.00002 -0.00002 0.00001 0.00004 -0.00017
|
|
153 7PX 0.00005 0.00002 0.00022 0.00012 0.00033
|
|
154 7PY 0.00004 0.00002 0.00009 0.00010 0.00022
|
|
155 7PZ 0.00009 0.00004 0.00020 0.00022 0.00026
|
|
156 8D 0 0.00000 0.00001 0.00003 0.00000 0.00005
|
|
157 8D+1 0.00001 0.00001 0.00002 0.00002 -0.00002
|
|
158 8D-1 0.00001 0.00000 -0.00002 0.00002 0.00003
|
|
159 8D+2 0.00000 0.00000 0.00003 0.00000 -0.00002
|
|
160 8D-2 0.00001 0.00000 -0.00001 0.00002 -0.00001
|
|
161 9D 0 -0.00001 -0.00001 0.00003 -0.00002 0.00004
|
|
162 9D+1 -0.00001 -0.00001 -0.00001 -0.00001 -0.00003
|
|
163 9D-1 -0.00001 -0.00001 -0.00005 -0.00002 0.00000
|
|
164 9D+2 0.00000 0.00000 0.00005 0.00001 -0.00002
|
|
165 9D-2 0.00000 -0.00001 -0.00004 -0.00001 -0.00004
|
|
166 6 H 1S -0.00070 0.00041 0.00094 -0.00175 0.00177
|
|
167 2S -0.00092 0.00051 0.00072 -0.00231 0.00247
|
|
168 3S 0.00011 0.00001 -0.00063 0.00027 -0.00103
|
|
169 4S 0.00003 0.00000 -0.00006 0.00008 -0.00011
|
|
170 5PX 0.00003 -0.00002 -0.00004 0.00008 0.00006
|
|
171 5PY 0.00003 -0.00001 0.00004 0.00007 -0.00008
|
|
172 5PZ -0.00004 0.00004 0.00009 -0.00010 0.00017
|
|
173 6PX 0.00003 0.00000 0.00000 0.00008 0.00034
|
|
174 6PY 0.00001 0.00000 0.00036 0.00002 -0.00001
|
|
175 6PZ 0.00002 0.00002 -0.00001 0.00004 0.00017
|
|
176 7PX -0.00005 0.00002 0.00022 -0.00012 0.00033
|
|
177 7PY -0.00004 0.00002 0.00009 -0.00010 0.00022
|
|
178 7PZ 0.00009 -0.00004 -0.00020 0.00022 -0.00026
|
|
179 8D 0 0.00000 0.00001 0.00003 0.00000 0.00005
|
|
180 8D+1 0.00001 -0.00001 -0.00002 0.00002 0.00002
|
|
181 8D-1 0.00001 0.00000 0.00002 0.00002 -0.00003
|
|
182 8D+2 0.00000 0.00000 0.00003 0.00000 -0.00002
|
|
183 8D-2 -0.00001 0.00000 -0.00001 -0.00002 -0.00001
|
|
184 9D 0 0.00001 -0.00001 0.00003 0.00002 0.00004
|
|
185 9D+1 -0.00001 0.00001 0.00001 -0.00001 0.00003
|
|
186 9D-1 -0.00001 0.00001 0.00005 -0.00002 0.00000
|
|
187 9D+2 0.00000 0.00000 0.00005 -0.00001 -0.00002
|
|
188 9D-2 0.00000 -0.00001 -0.00004 0.00001 -0.00004
|
|
131 132 133 134 135
|
|
131 7PY 0.00010
|
|
132 7PZ 0.00000 0.00002
|
|
133 8D 0 -0.00001 0.00000 0.00000
|
|
134 8D+1 0.00000 0.00000 0.00000 0.00000
|
|
135 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
136 8D+2 0.00002 0.00000 0.00000 0.00000 0.00000
|
|
137 8D-2 -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
138 9D 0 0.00002 0.00000 0.00000 0.00000 0.00000
|
|
139 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
140 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
141 9D+2 -0.00002 0.00000 0.00001 0.00000 0.00000
|
|
142 9D-2 0.00003 0.00000 -0.00001 0.00000 0.00000
|
|
143 5 H 1S -0.00017 -0.00001 0.00002 0.00029 -0.00006
|
|
144 2S -0.00036 -0.00006 0.00004 0.00039 -0.00008
|
|
145 3S 0.00007 -0.00043 -0.00003 -0.00005 0.00004
|
|
146 4S 0.00000 -0.00003 0.00000 -0.00001 0.00000
|
|
147 5PX -0.00003 0.00000 0.00001 -0.00001 0.00000
|
|
148 5PY 0.00001 -0.00001 0.00000 -0.00001 0.00000
|
|
149 5PZ 0.00002 0.00000 0.00000 -0.00002 0.00000
|
|
150 6PX -0.00009 0.00000 0.00002 -0.00001 0.00000
|
|
151 6PY 0.00004 -0.00001 0.00000 0.00000 0.00000
|
|
152 6PZ 0.00004 0.00000 0.00000 0.00001 0.00000
|
|
153 7PX -0.00005 0.00003 0.00001 0.00002 -0.00001
|
|
154 7PY -0.00003 0.00002 0.00001 0.00002 0.00000
|
|
155 7PZ 0.00000 0.00007 0.00000 0.00004 -0.00001
|
|
156 8D 0 -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
157 8D+1 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
158 8D-1 -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
159 8D+2 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
160 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
161 9D 0 -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
162 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
163 9D-1 -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
164 9D+2 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
165 9D-2 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
166 6 H 1S -0.00017 0.00001 0.00002 -0.00029 0.00006
|
|
167 2S -0.00036 0.00006 0.00004 -0.00039 0.00008
|
|
168 3S 0.00007 0.00043 -0.00003 0.00005 -0.00004
|
|
169 4S 0.00000 0.00003 0.00000 0.00001 0.00000
|
|
170 5PX -0.00003 0.00000 0.00001 0.00001 0.00000
|
|
171 5PY 0.00001 0.00001 0.00000 0.00001 0.00000
|
|
172 5PZ -0.00002 0.00000 0.00000 -0.00002 0.00000
|
|
173 6PX -0.00009 0.00000 0.00002 0.00001 0.00000
|
|
174 6PY 0.00004 0.00001 0.00000 0.00000 0.00000
|
|
175 6PZ -0.00004 0.00000 0.00000 0.00001 0.00000
|
|
176 7PX -0.00005 -0.00003 0.00001 -0.00002 0.00001
|
|
177 7PY -0.00003 -0.00002 0.00001 -0.00002 0.00000
|
|
178 7PZ 0.00000 0.00007 0.00000 0.00004 -0.00001
|
|
179 8D 0 -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
180 8D+1 -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
181 8D-1 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
182 8D+2 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
183 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
184 9D 0 -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
185 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
186 9D-1 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
187 9D+2 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
188 9D-2 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
136 137 138 139 140
|
|
136 8D+2 0.00001
|
|
137 8D-2 0.00000 0.00001
|
|
138 9D 0 0.00001 0.00000 0.00001
|
|
139 9D+1 0.00000 0.00000 0.00000 0.00000
|
|
140 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
141 9D+2 0.00000 0.00001 -0.00001 0.00000 0.00000
|
|
142 9D-2 0.00001 0.00000 0.00001 0.00000 0.00000
|
|
143 5 H 1S 0.00006 0.00017 0.00018 0.00021 -0.00004
|
|
144 2S 0.00000 0.00018 0.00018 0.00027 -0.00004
|
|
145 3S -0.00004 -0.00012 0.00002 -0.00007 0.00010
|
|
146 4S 0.00000 -0.00001 0.00000 -0.00001 0.00001
|
|
147 5PX -0.00001 0.00000 -0.00002 -0.00001 0.00000
|
|
148 5PY 0.00001 0.00000 0.00000 -0.00001 0.00000
|
|
149 5PZ -0.00001 -0.00002 -0.00002 -0.00001 0.00000
|
|
150 6PX -0.00002 0.00002 -0.00002 -0.00001 0.00000
|
|
151 6PY 0.00005 0.00004 0.00002 0.00000 0.00000
|
|
152 6PZ 0.00001 -0.00001 0.00000 0.00001 0.00000
|
|
153 7PX 0.00001 0.00004 0.00001 0.00002 -0.00001
|
|
154 7PY 0.00000 0.00002 0.00001 0.00001 -0.00001
|
|
155 7PZ 0.00002 0.00003 0.00002 0.00003 -0.00002
|
|
156 8D 0 0.00000 0.00001 0.00000 0.00000 0.00000
|
|
157 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
158 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
159 8D+2 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
160 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
161 9D 0 0.00000 0.00001 -0.00001 0.00000 0.00000
|
|
162 9D+1 0.00000 0.00000 -0.00001 0.00000 0.00000
|
|
163 9D-1 -0.00001 0.00000 -0.00001 0.00000 0.00000
|
|
164 9D+2 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
165 9D-2 0.00000 -0.00001 0.00000 0.00000 0.00000
|
|
166 6 H 1S 0.00006 0.00017 0.00018 -0.00021 0.00004
|
|
167 2S 0.00000 0.00018 0.00018 -0.00027 0.00004
|
|
168 3S -0.00004 -0.00012 0.00002 0.00007 -0.00010
|
|
169 4S 0.00000 -0.00001 0.00000 0.00001 -0.00001
|
|
170 5PX -0.00001 0.00000 -0.00002 0.00001 0.00000
|
|
171 5PY 0.00001 0.00000 0.00000 0.00001 0.00000
|
|
172 5PZ 0.00001 0.00002 0.00002 -0.00001 0.00000
|
|
173 6PX -0.00002 0.00002 -0.00002 0.00001 0.00000
|
|
174 6PY 0.00005 0.00004 0.00002 0.00000 0.00000
|
|
175 6PZ -0.00001 0.00001 0.00000 0.00001 0.00000
|
|
176 7PX 0.00001 0.00004 0.00001 -0.00002 0.00001
|
|
177 7PY 0.00000 0.00002 0.00001 -0.00001 0.00001
|
|
178 7PZ -0.00002 -0.00003 -0.00002 0.00003 -0.00002
|
|
179 8D 0 0.00000 0.00001 0.00000 0.00000 0.00000
|
|
180 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
181 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
182 8D+2 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
183 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
184 9D 0 0.00000 0.00001 -0.00001 0.00000 0.00000
|
|
185 9D+1 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
186 9D-1 0.00001 0.00000 0.00001 0.00000 0.00000
|
|
187 9D+2 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
188 9D-2 0.00000 -0.00001 0.00000 0.00000 0.00000
|
|
141 142 143 144 145
|
|
141 9D+2 0.00002
|
|
142 9D-2 -0.00001 0.00002
|
|
143 5 H 1S -0.00007 0.00019 0.03768
|
|
144 2S -0.00013 0.00015 0.04809 0.06240
|
|
145 3S -0.00015 -0.00002 -0.00466 -0.00416 0.01270
|
|
146 4S -0.00001 0.00000 -0.00129 -0.00155 0.00095
|
|
147 5PX 0.00001 -0.00002 -0.00143 -0.00178 0.00018
|
|
148 5PY 0.00001 0.00001 -0.00124 -0.00168 0.00021
|
|
149 5PZ 0.00000 -0.00002 -0.00270 -0.00340 0.00043
|
|
150 6PX 0.00002 -0.00003 -0.00024 -0.00025 -0.00016
|
|
151 6PY 0.00006 0.00005 0.00046 0.00006 -0.00041
|
|
152 6PZ 0.00001 0.00000 -0.00037 -0.00051 0.00000
|
|
153 7PX 0.00004 0.00001 0.00300 0.00356 -0.00162
|
|
154 7PY 0.00001 0.00001 0.00245 0.00305 -0.00085
|
|
155 7PZ 0.00002 0.00003 0.00424 0.00509 -0.00245
|
|
156 8D 0 0.00000 0.00000 0.00036 0.00044 -0.00007
|
|
157 8D+1 0.00000 0.00001 0.00042 0.00052 -0.00004
|
|
158 8D-1 0.00000 0.00000 0.00035 0.00050 -0.00004
|
|
159 8D+2 0.00000 0.00001 0.00007 0.00005 -0.00002
|
|
160 8D-2 0.00000 0.00000 0.00019 0.00026 -0.00002
|
|
161 9D 0 0.00001 0.00000 -0.00033 -0.00045 -0.00003
|
|
162 9D+1 0.00001 0.00000 -0.00059 -0.00075 0.00010
|
|
163 9D-1 0.00000 -0.00001 -0.00062 -0.00073 0.00010
|
|
164 9D+2 0.00001 0.00001 0.00022 0.00021 -0.00008
|
|
165 9D-2 0.00000 0.00000 -0.00039 -0.00046 0.00009
|
|
166 6 H 1S -0.00007 0.00019 -0.00429 -0.00760 -0.00186
|
|
167 2S -0.00013 0.00015 -0.00760 -0.01169 -0.00224
|
|
168 3S -0.00015 -0.00002 -0.00186 -0.00224 -0.00691
|
|
169 4S -0.00001 0.00000 0.00034 0.00049 -0.00042
|
|
170 5PX 0.00001 -0.00002 0.00058 0.00088 -0.00005
|
|
171 5PY 0.00001 0.00001 0.00043 0.00052 -0.00019
|
|
172 5PZ 0.00000 0.00002 0.00028 0.00020 -0.00018
|
|
173 6PX 0.00002 -0.00003 0.00160 0.00220 -0.00029
|
|
174 6PY 0.00006 0.00005 0.00097 0.00069 -0.00086
|
|
175 6PZ -0.00001 0.00000 0.00143 0.00190 -0.00021
|
|
176 7PX 0.00004 0.00001 0.00040 0.00026 0.00014
|
|
177 7PY 0.00001 0.00001 0.00011 0.00002 0.00006
|
|
178 7PZ -0.00002 -0.00003 0.00037 0.00075 -0.00097
|
|
179 8D 0 0.00000 0.00000 0.00028 0.00032 -0.00012
|
|
180 8D+1 0.00000 -0.00001 0.00014 0.00022 0.00001
|
|
181 8D-1 0.00000 0.00000 0.00011 0.00011 -0.00006
|
|
182 8D+2 0.00000 0.00001 -0.00004 -0.00011 -0.00005
|
|
183 8D-2 0.00000 0.00000 -0.00019 -0.00023 0.00008
|
|
184 9D 0 0.00001 0.00000 0.00020 0.00025 -0.00009
|
|
185 9D+1 -0.00001 0.00000 0.00028 0.00035 0.00001
|
|
186 9D-1 0.00000 0.00001 0.00013 0.00008 -0.00007
|
|
187 9D+2 0.00001 0.00001 -0.00004 -0.00014 -0.00007
|
|
188 9D-2 0.00000 0.00000 -0.00022 -0.00023 0.00012
|
|
146 147 148 149 150
|
|
146 4S 0.00011
|
|
147 5PX 0.00005 0.00007
|
|
148 5PY 0.00005 0.00004 0.00006
|
|
149 5PZ 0.00009 0.00010 0.00008 0.00020
|
|
150 6PX 0.00001 0.00006 0.00001 -0.00001 0.00016
|
|
151 6PY -0.00002 -0.00003 0.00007 -0.00005 -0.00001
|
|
152 6PZ 0.00000 -0.00001 0.00001 0.00005 -0.00009
|
|
153 7PX -0.00017 -0.00010 -0.00008 -0.00023 0.00004
|
|
154 7PY -0.00012 -0.00008 -0.00008 -0.00018 0.00002
|
|
155 7PZ -0.00027 -0.00017 -0.00015 -0.00031 -0.00003
|
|
156 8D 0 -0.00001 -0.00001 -0.00001 -0.00003 0.00002
|
|
157 8D+1 -0.00001 -0.00002 -0.00001 -0.00003 -0.00002
|
|
158 8D-1 -0.00001 -0.00001 -0.00002 -0.00002 0.00000
|
|
159 8D+2 0.00000 -0.00001 0.00000 0.00000 -0.00001
|
|
160 8D-2 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001
|
|
161 9D 0 0.00001 0.00002 0.00002 0.00002 0.00002
|
|
162 9D+1 0.00002 0.00002 0.00002 0.00005 -0.00001
|
|
163 9D-1 0.00002 0.00003 0.00001 0.00005 0.00001
|
|
164 9D+2 -0.00001 -0.00001 0.00000 -0.00002 -0.00001
|
|
165 9D-2 0.00001 0.00001 0.00001 0.00003 -0.00001
|
|
166 6 H 1S 0.00034 0.00058 0.00043 -0.00028 0.00160
|
|
167 2S 0.00049 0.00088 0.00052 -0.00020 0.00220
|
|
168 3S -0.00042 -0.00005 -0.00019 0.00018 -0.00029
|
|
169 4S -0.00004 -0.00003 -0.00003 -0.00001 -0.00007
|
|
170 5PX -0.00003 -0.00002 -0.00004 -0.00002 -0.00003
|
|
171 5PY -0.00003 -0.00004 -0.00001 -0.00001 -0.00007
|
|
172 5PZ 0.00001 0.00002 0.00001 -0.00006 0.00012
|
|
173 6PX -0.00007 -0.00003 -0.00007 -0.00012 0.00008
|
|
174 6PY -0.00007 -0.00006 0.00004 -0.00008 -0.00003
|
|
175 6PZ -0.00005 -0.00004 -0.00006 -0.00011 0.00004
|
|
176 7PX 0.00003 0.00003 0.00005 -0.00008 0.00016
|
|
177 7PY 0.00002 0.00003 0.00002 -0.00005 0.00013
|
|
178 7PZ -0.00011 -0.00006 -0.00008 0.00004 -0.00018
|
|
179 8D 0 -0.00001 0.00000 0.00000 -0.00003 0.00002
|
|
180 8D+1 -0.00001 -0.00001 -0.00001 0.00000 -0.00001
|
|
181 8D-1 -0.00001 -0.00001 0.00000 0.00000 -0.00002
|
|
182 8D+2 0.00000 0.00000 0.00001 0.00000 -0.00001
|
|
183 8D-2 0.00001 0.00001 0.00001 0.00001 0.00001
|
|
184 9D 0 -0.00002 -0.00001 0.00000 -0.00001 0.00000
|
|
185 9D+1 0.00000 0.00000 -0.00001 -0.00003 0.00002
|
|
186 9D-1 0.00000 0.00000 0.00001 -0.00002 0.00001
|
|
187 9D+2 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
188 9D-2 0.00001 0.00000 0.00000 0.00002 -0.00002
|
|
151 152 153 154 155
|
|
151 6PY 0.00043
|
|
152 6PZ 0.00002 0.00008
|
|
153 7PX 0.00019 -0.00004 0.00043
|
|
154 7PY 0.00005 -0.00004 0.00026 0.00019
|
|
155 7PZ 0.00013 -0.00002 0.00053 0.00036 0.00079
|
|
156 8D 0 0.00003 -0.00002 0.00004 0.00003 0.00004
|
|
157 8D+1 0.00002 0.00000 0.00003 0.00002 0.00005
|
|
158 8D-1 -0.00004 -0.00001 0.00002 0.00002 0.00004
|
|
159 8D+2 0.00003 0.00001 0.00001 0.00000 0.00001
|
|
160 8D-2 -0.00002 0.00000 0.00001 0.00001 0.00002
|
|
161 9D 0 0.00004 0.00000 0.00000 -0.00001 -0.00003
|
|
162 9D+1 0.00001 0.00002 -0.00005 -0.00004 -0.00007
|
|
163 9D-1 -0.00005 0.00001 -0.00006 -0.00004 -0.00008
|
|
164 9D+2 0.00006 0.00001 0.00003 0.00002 0.00004
|
|
165 9D-2 -0.00004 0.00001 -0.00005 -0.00003 -0.00005
|
|
166 6 H 1S 0.00097 -0.00143 0.00040 0.00011 -0.00037
|
|
167 2S 0.00069 -0.00190 0.00026 0.00002 -0.00075
|
|
168 3S -0.00086 0.00021 0.00014 0.00006 0.00097
|
|
169 4S -0.00007 0.00005 0.00003 0.00002 0.00011
|
|
170 5PX -0.00006 0.00004 0.00003 0.00003 0.00006
|
|
171 5PY 0.00004 0.00006 0.00005 0.00002 0.00008
|
|
172 5PZ 0.00008 -0.00011 0.00008 0.00005 0.00004
|
|
173 6PX -0.00003 -0.00004 0.00016 0.00013 0.00018
|
|
174 6PY 0.00041 0.00004 0.00026 0.00009 0.00025
|
|
175 6PZ -0.00004 -0.00005 0.00011 0.00010 0.00015
|
|
176 7PX 0.00026 -0.00011 0.00014 0.00005 -0.00001
|
|
177 7PY 0.00009 -0.00010 0.00005 0.00003 -0.00002
|
|
178 7PZ -0.00025 0.00015 0.00001 0.00002 0.00021
|
|
179 8D 0 0.00003 -0.00002 0.00004 0.00003 0.00004
|
|
180 8D+1 -0.00002 0.00001 0.00000 0.00001 0.00001
|
|
181 8D-1 0.00003 0.00002 0.00002 0.00001 0.00003
|
|
182 8D+2 0.00003 0.00001 0.00001 0.00000 0.00001
|
|
183 8D-2 -0.00001 -0.00001 -0.00002 -0.00001 -0.00003
|
|
184 9D 0 0.00003 0.00001 0.00003 0.00002 0.00004
|
|
185 9D+1 0.00000 -0.00003 0.00002 0.00002 0.00002
|
|
186 9D-1 0.00005 -0.00002 0.00003 0.00001 0.00002
|
|
187 9D+2 0.00006 0.00000 0.00002 0.00000 0.00001
|
|
188 9D-2 -0.00004 0.00001 -0.00004 -0.00002 -0.00004
|
|
156 157 158 159 160
|
|
156 8D 0 0.00001
|
|
157 8D+1 0.00000 0.00001
|
|
158 8D-1 0.00000 0.00000 0.00001
|
|
159 8D+2 0.00000 0.00000 0.00000 0.00000
|
|
160 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
161 9D 0 0.00000 0.00000 -0.00001 0.00000 0.00000
|
|
162 9D+1 -0.00001 -0.00001 -0.00001 0.00000 0.00000
|
|
163 9D-1 -0.00001 -0.00001 0.00000 0.00000 0.00000
|
|
164 9D+2 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
165 9D-2 -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
166 6 H 1S 0.00028 -0.00014 -0.00011 -0.00004 -0.00019
|
|
167 2S 0.00032 -0.00022 -0.00011 -0.00011 -0.00023
|
|
168 3S -0.00012 -0.00001 0.00006 -0.00005 0.00008
|
|
169 4S -0.00001 0.00001 0.00001 0.00000 0.00001
|
|
170 5PX 0.00000 0.00001 0.00001 0.00000 0.00001
|
|
171 5PY 0.00000 0.00001 0.00000 0.00001 0.00001
|
|
172 5PZ 0.00003 0.00000 0.00000 0.00000 -0.00001
|
|
173 6PX 0.00002 0.00001 0.00002 -0.00001 0.00001
|
|
174 6PY 0.00003 0.00002 -0.00003 0.00003 -0.00001
|
|
175 6PZ 0.00002 0.00001 0.00002 -0.00001 0.00001
|
|
176 7PX 0.00004 0.00000 -0.00002 0.00001 -0.00002
|
|
177 7PY 0.00003 -0.00001 -0.00001 0.00000 -0.00001
|
|
178 7PZ -0.00004 0.00001 0.00003 -0.00001 0.00003
|
|
179 8D 0 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
180 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
181 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
182 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
183 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
184 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
185 9D+1 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
186 9D-1 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
187 9D+2 0.00000 0.00000 -0.00001 0.00001 0.00000
|
|
188 9D-2 -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
161 162 163 164 165
|
|
161 9D 0 0.00001
|
|
162 9D+1 0.00001 0.00001
|
|
163 9D-1 0.00000 0.00001 0.00002
|
|
164 9D+2 0.00000 0.00000 -0.00001 0.00001
|
|
165 9D-2 0.00000 0.00001 0.00001 -0.00001 0.00001
|
|
166 6 H 1S 0.00020 -0.00028 -0.00013 -0.00004 -0.00022
|
|
167 2S 0.00025 -0.00035 -0.00008 -0.00014 -0.00023
|
|
168 3S -0.00009 -0.00001 0.00007 -0.00007 0.00012
|
|
169 4S -0.00002 0.00000 0.00000 0.00000 0.00001
|
|
170 5PX -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
171 5PY 0.00000 0.00001 -0.00001 0.00001 0.00000
|
|
172 5PZ 0.00001 -0.00003 -0.00002 0.00000 -0.00002
|
|
173 6PX 0.00000 -0.00002 -0.00001 0.00000 -0.00002
|
|
174 6PY 0.00003 0.00000 -0.00005 0.00006 -0.00004
|
|
175 6PZ -0.00001 -0.00003 -0.00002 0.00000 -0.00001
|
|
176 7PX 0.00003 -0.00002 -0.00003 0.00002 -0.00004
|
|
177 7PY 0.00002 -0.00002 -0.00001 0.00000 -0.00002
|
|
178 7PZ -0.00004 0.00002 0.00002 -0.00001 0.00004
|
|
179 8D 0 0.00000 -0.00001 -0.00001 0.00000 -0.00001
|
|
180 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
181 8D-1 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
182 8D+2 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
183 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
184 9D 0 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
185 9D+1 0.00000 -0.00001 -0.00001 0.00000 -0.00001
|
|
186 9D-1 0.00000 -0.00001 -0.00001 0.00001 -0.00001
|
|
187 9D+2 0.00001 0.00000 -0.00001 0.00001 0.00000
|
|
188 9D-2 0.00000 0.00001 0.00001 0.00000 0.00001
|
|
166 167 168 169 170
|
|
166 6 H 1S 0.03768
|
|
167 2S 0.04809 0.06240
|
|
168 3S -0.00466 -0.00416 0.01270
|
|
169 4S -0.00129 -0.00155 0.00095 0.00011
|
|
170 5PX -0.00143 -0.00178 0.00018 0.00005 0.00007
|
|
171 5PY -0.00124 -0.00168 0.00021 0.00005 0.00004
|
|
172 5PZ 0.00270 0.00340 -0.00043 -0.00009 -0.00010
|
|
173 6PX -0.00024 -0.00025 -0.00016 0.00001 0.00006
|
|
174 6PY 0.00046 0.00006 -0.00041 -0.00002 -0.00003
|
|
175 6PZ 0.00037 0.00051 0.00000 0.00000 0.00001
|
|
176 7PX 0.00300 0.00356 -0.00162 -0.00017 -0.00010
|
|
177 7PY 0.00245 0.00305 -0.00085 -0.00012 -0.00008
|
|
178 7PZ -0.00424 -0.00509 0.00245 0.00027 0.00017
|
|
179 8D 0 0.00036 0.00044 -0.00007 -0.00001 -0.00001
|
|
180 8D+1 -0.00042 -0.00052 0.00004 0.00001 0.00002
|
|
181 8D-1 -0.00035 -0.00050 0.00004 0.00001 0.00001
|
|
182 8D+2 0.00007 0.00005 -0.00002 0.00000 -0.00001
|
|
183 8D-2 0.00019 0.00026 -0.00002 -0.00001 -0.00001
|
|
184 9D 0 -0.00033 -0.00045 -0.00003 0.00001 0.00002
|
|
185 9D+1 0.00059 0.00075 -0.00010 -0.00002 -0.00002
|
|
186 9D-1 0.00062 0.00073 -0.00010 -0.00002 -0.00003
|
|
187 9D+2 0.00022 0.00021 -0.00008 -0.00001 -0.00001
|
|
188 9D-2 -0.00039 -0.00046 0.00009 0.00001 0.00001
|
|
171 172 173 174 175
|
|
171 5PY 0.00006
|
|
172 5PZ -0.00008 0.00020
|
|
173 6PX 0.00001 0.00001 0.00016
|
|
174 6PY 0.00007 0.00005 -0.00001 0.00043
|
|
175 6PZ -0.00001 0.00005 0.00009 -0.00002 0.00008
|
|
176 7PX -0.00008 0.00023 0.00004 0.00019 0.00004
|
|
177 7PY -0.00008 0.00018 0.00002 0.00005 0.00004
|
|
178 7PZ 0.00015 -0.00031 0.00003 -0.00013 -0.00002
|
|
179 8D 0 -0.00001 0.00003 0.00002 0.00003 0.00002
|
|
180 8D+1 0.00001 -0.00003 0.00002 -0.00002 0.00000
|
|
181 8D-1 0.00002 -0.00002 0.00000 0.00004 -0.00001
|
|
182 8D+2 0.00000 0.00000 -0.00001 0.00003 -0.00001
|
|
183 8D-2 -0.00001 0.00001 -0.00001 -0.00002 0.00000
|
|
184 9D 0 0.00002 -0.00002 0.00002 0.00004 0.00000
|
|
185 9D+1 -0.00002 0.00005 0.00001 -0.00001 0.00002
|
|
186 9D-1 -0.00001 0.00005 -0.00001 0.00005 0.00001
|
|
187 9D+2 0.00000 0.00002 -0.00001 0.00006 -0.00001
|
|
188 9D-2 0.00001 -0.00003 -0.00001 -0.00004 -0.00001
|
|
176 177 178 179 180
|
|
176 7PX 0.00043
|
|
177 7PY 0.00026 0.00019
|
|
178 7PZ -0.00053 -0.00036 0.00079
|
|
179 8D 0 0.00004 0.00003 -0.00004 0.00001
|
|
180 8D+1 -0.00003 -0.00002 0.00005 0.00000 0.00001
|
|
181 8D-1 -0.00002 -0.00002 0.00004 0.00000 0.00000
|
|
182 8D+2 0.00001 0.00000 -0.00001 0.00000 0.00000
|
|
183 8D-2 0.00001 0.00001 -0.00002 0.00000 0.00000
|
|
184 9D 0 0.00000 -0.00001 0.00003 0.00000 0.00000
|
|
185 9D+1 0.00005 0.00004 -0.00007 0.00001 -0.00001
|
|
186 9D-1 0.00006 0.00004 -0.00008 0.00001 -0.00001
|
|
187 9D+2 0.00003 0.00002 -0.00004 0.00000 0.00000
|
|
188 9D-2 -0.00005 -0.00003 0.00005 -0.00001 0.00000
|
|
181 182 183 184 185
|
|
181 8D-1 0.00001
|
|
182 8D+2 0.00000 0.00000
|
|
183 8D-2 0.00000 0.00000 0.00000
|
|
184 9D 0 0.00001 0.00000 0.00000 0.00001
|
|
185 9D+1 -0.00001 0.00000 0.00000 -0.00001 0.00001
|
|
186 9D-1 0.00000 0.00000 0.00000 0.00000 0.00001
|
|
187 9D+2 0.00000 0.00001 0.00000 0.00000 0.00000
|
|
188 9D-2 0.00000 0.00000 0.00000 0.00000 -0.00001
|
|
186 187 188
|
|
186 9D-1 0.00002
|
|
187 9D+2 0.00001 0.00001
|
|
188 9D-2 -0.00001 -0.00001 0.00001
|
|
Beta Density Matrix:
|
|
1 2 3 4 5
|
|
1 1 C 1S 0.98968
|
|
2 2S -0.08351 0.19609
|
|
3 3S 0.02417 0.04166 0.01070
|
|
4 4S -0.02765 0.07835 0.01722 0.05484
|
|
5 5S 0.00233 -0.00840 -0.00187 -0.00338 0.00085
|
|
6 6PX -0.00010 0.00052 0.00028 -0.00623 -0.00259
|
|
7 6PY -0.00399 0.00788 0.00215 0.03164 0.00019
|
|
8 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
9 7PX 0.00018 0.00000 0.00023 -0.00824 -0.00336
|
|
10 7PY -0.00042 0.00741 0.00239 0.04238 0.00039
|
|
11 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
12 8PX -0.00071 0.00182 0.00061 -0.00360 -0.00271
|
|
13 8PY 0.00007 0.01110 0.00300 0.02938 0.00043
|
|
14 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
15 9PX -0.00010 0.00044 0.00010 -0.00059 -0.00017
|
|
16 9PY -0.00002 0.00183 0.00047 0.00332 -0.00011
|
|
17 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
18 10D 0 -0.00018 0.00078 0.00021 0.00123 -0.00018
|
|
19 10D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
20 10D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
21 10D+2 -0.00024 0.00110 0.00027 0.00273 0.00004
|
|
22 10D-2 -0.00007 0.00025 0.00006 -0.00014 -0.00008
|
|
23 11D 0 0.00113 0.00030 0.00022 0.00382 -0.00033
|
|
24 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
25 11D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
26 11D+2 0.00132 0.00120 0.00044 0.00789 0.00015
|
|
27 11D-2 0.00011 0.00047 0.00013 0.00010 -0.00007
|
|
28 12D 0 0.00037 0.00024 0.00014 0.00221 -0.00022
|
|
29 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
30 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
31 12D+2 0.00014 0.00262 0.00062 0.00265 0.00007
|
|
32 12D-2 -0.00005 -0.00004 0.00002 0.00121 -0.00023
|
|
33 13F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
34 13F+1 -0.00006 0.00199 0.00046 0.00103 -0.00007
|
|
35 13F-1 -0.00043 0.00182 0.00040 0.00028 -0.00008
|
|
36 13F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
37 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
38 13F+3 0.00006 -0.00076 -0.00018 -0.00043 0.00004
|
|
39 13F-3 -0.00051 0.00198 0.00042 0.00019 -0.00007
|
|
40 14F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
41 14F+1 -0.00042 -0.00013 -0.00002 0.00208 0.00006
|
|
42 14F-1 -0.00082 0.00038 0.00005 0.00002 -0.00005
|
|
43 14F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
44 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
45 14F+3 0.00026 -0.00009 -0.00002 -0.00056 0.00001
|
|
46 14F-3 -0.00056 -0.00088 -0.00024 -0.00051 0.00009
|
|
47 2 S 1S -0.00036 0.00071 0.00012 -0.00809 0.00058
|
|
48 2S 0.00141 -0.00239 -0.00029 0.02806 -0.00282
|
|
49 3S -0.00127 0.00134 -0.00065 -0.03918 0.00999
|
|
50 4S 0.00011 -0.00190 -0.00056 -0.00477 0.00151
|
|
51 5S 0.00712 -0.00269 -0.00066 -0.01700 0.00712
|
|
52 6S 0.00112 0.00684 0.00173 0.00683 -0.00054
|
|
53 7PX 0.00006 -0.00023 -0.00001 -0.00358 0.00041
|
|
54 7PY 0.01042 -0.02733 -0.00647 0.04604 0.00711
|
|
55 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
56 8PX -0.00009 0.00015 0.00003 0.01211 -0.00150
|
|
57 8PY -0.01885 0.05475 0.01115 -0.02015 -0.00583
|
|
58 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
59 9PX -0.00019 0.00048 0.00010 0.00466 -0.00066
|
|
60 9PY -0.00872 0.02113 0.00415 -0.00627 -0.00204
|
|
61 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
62 10PX -0.00111 0.00265 0.00052 0.00569 -0.00129
|
|
63 10PY -0.00435 0.02499 0.00531 -0.00654 -0.00299
|
|
64 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
65 11PX -0.00016 0.00012 0.00000 -0.00074 -0.00007
|
|
66 11PY 0.00019 0.00140 0.00034 0.00123 -0.00026
|
|
67 11PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
68 12D 0 0.00083 -0.00450 -0.00097 -0.00071 0.00031
|
|
69 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
70 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
71 12D+2 0.00260 -0.01089 -0.00233 0.00194 0.00082
|
|
72 12D-2 -0.00007 0.00079 0.00019 -0.00101 -0.00027
|
|
73 13D 0 0.00147 -0.00385 -0.00078 -0.00001 0.00020
|
|
74 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
75 13D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
76 13D+2 0.00329 -0.00864 -0.00178 0.00230 0.00068
|
|
77 13D-2 -0.00025 0.00062 0.00014 -0.00078 -0.00026
|
|
78 14D 0 -0.00008 -0.00120 -0.00029 -0.00070 0.00028
|
|
79 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
80 14D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
81 14D+2 -0.00018 -0.00242 -0.00056 -0.00017 0.00016
|
|
82 14D-2 0.00009 0.00042 0.00008 -0.00039 -0.00001
|
|
83 15F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
84 15F+1 -0.00013 0.00032 0.00007 -0.00020 -0.00005
|
|
85 15F-1 0.00062 -0.00198 -0.00041 0.00044 0.00012
|
|
86 15F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
87 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
88 15F+3 0.00016 -0.00035 -0.00008 0.00024 0.00014
|
|
89 15F-3 0.00060 -0.00192 -0.00040 0.00026 0.00007
|
|
90 16F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
91 16F+1 0.00004 -0.00001 0.00000 -0.00015 0.00002
|
|
92 16F-1 -0.00021 -0.00037 -0.00010 -0.00009 0.00003
|
|
93 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
94 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
95 16F+3 -0.00012 -0.00036 -0.00009 0.00012 0.00003
|
|
96 16F-3 -0.00011 -0.00066 -0.00016 -0.00050 0.00006
|
|
97 3 H 1S 0.00165 -0.00439 -0.00100 0.00251 0.00120
|
|
98 2S 0.00181 -0.00462 -0.00108 0.00475 0.00139
|
|
99 3S 0.00104 -0.00160 -0.00025 0.00785 0.00026
|
|
100 4S 0.00010 0.00047 0.00014 0.00187 -0.00004
|
|
101 5PX -0.00015 0.00043 0.00010 0.00005 -0.00015
|
|
102 5PY -0.00012 0.00035 0.00007 -0.00025 -0.00004
|
|
103 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
104 6PX 0.00012 -0.00031 -0.00004 0.00069 -0.00015
|
|
105 6PY -0.00072 0.00142 0.00028 -0.00051 -0.00016
|
|
106 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
107 7PX -0.00037 0.00023 0.00001 -0.00071 0.00002
|
|
108 7PY -0.00011 -0.00025 -0.00003 0.00111 -0.00008
|
|
109 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
110 8D 0 0.00007 -0.00009 -0.00002 0.00006 -0.00001
|
|
111 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
112 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
113 8D+2 0.00002 -0.00002 -0.00001 -0.00003 0.00003
|
|
114 8D-2 0.00019 -0.00032 -0.00006 0.00016 0.00003
|
|
115 9D 0 0.00005 0.00002 0.00001 -0.00003 0.00001
|
|
116 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
117 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
118 9D+2 0.00019 -0.00004 0.00000 -0.00034 0.00000
|
|
119 9D-2 0.00006 -0.00024 -0.00005 0.00003 0.00004
|
|
120 4 H 1S -0.01465 0.03683 0.00786 0.02573 0.00028
|
|
121 2S -0.01813 0.04511 0.00958 0.02905 0.00047
|
|
122 3S -0.00410 0.00033 0.00004 0.00462 -0.00086
|
|
123 4S -0.00037 0.00053 0.00010 -0.00098 -0.00017
|
|
124 5PX -0.00179 0.00379 0.00080 0.00251 -0.00001
|
|
125 5PY 0.00049 -0.00104 -0.00021 -0.00011 0.00000
|
|
126 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
127 6PX -0.00143 0.00184 0.00036 0.00073 -0.00007
|
|
128 6PY 0.00076 -0.00052 -0.00004 0.00236 0.00002
|
|
129 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
130 7PX 0.00014 -0.00336 -0.00074 -0.00171 -0.00027
|
|
131 7PY 0.00010 0.00175 0.00041 0.00133 -0.00006
|
|
132 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
133 8D 0 0.00032 -0.00045 -0.00009 -0.00021 0.00000
|
|
134 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
135 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
136 8D+2 -0.00038 0.00048 0.00010 0.00057 0.00000
|
|
137 8D-2 0.00032 -0.00041 -0.00007 0.00008 0.00000
|
|
138 9D 0 -0.00028 0.00117 0.00026 0.00064 -0.00002
|
|
139 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
140 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
141 9D+2 0.00046 -0.00162 -0.00035 -0.00033 0.00007
|
|
142 9D-2 -0.00008 0.00099 0.00023 0.00085 -0.00003
|
|
143 5 H 1S -0.01495 0.03790 0.00830 0.02077 -0.00230
|
|
144 2S -0.01913 0.04693 0.01020 0.02148 -0.00292
|
|
145 3S -0.00406 0.00088 -0.00008 -0.00534 0.00044
|
|
146 4S -0.00016 -0.00048 -0.00013 -0.00068 0.00011
|
|
147 5PX 0.00083 -0.00176 -0.00038 -0.00111 0.00006
|
|
148 5PY 0.00064 -0.00137 -0.00029 -0.00021 0.00011
|
|
149 5PZ 0.00156 -0.00332 -0.00072 -0.00184 0.00021
|
|
150 6PX 0.00073 -0.00078 -0.00014 -0.00062 -0.00009
|
|
151 6PY 0.00122 -0.00149 -0.00024 0.00226 0.00014
|
|
152 6PZ 0.00152 -0.00196 -0.00039 -0.00053 0.00015
|
|
153 7PX 0.00001 0.00111 0.00029 0.00194 -0.00011
|
|
154 7PY 0.00021 0.00208 0.00051 0.00144 -0.00019
|
|
155 7PZ -0.00029 0.00336 0.00080 0.00297 -0.00027
|
|
156 8D 0 -0.00028 0.00037 0.00008 0.00034 -0.00003
|
|
157 8D+1 -0.00037 0.00051 0.00010 0.00036 -0.00002
|
|
158 8D-1 -0.00036 0.00048 0.00009 -0.00002 -0.00004
|
|
159 8D+2 0.00003 -0.00007 -0.00001 0.00022 0.00002
|
|
160 8D-2 -0.00019 0.00025 0.00005 0.00001 -0.00001
|
|
161 9D 0 0.00031 -0.00104 -0.00022 -0.00025 0.00004
|
|
162 9D+1 0.00034 -0.00139 -0.00031 -0.00056 0.00007
|
|
163 9D-1 0.00007 -0.00090 -0.00021 -0.00072 0.00004
|
|
164 9D+2 0.00010 -0.00009 -0.00001 0.00040 0.00002
|
|
165 9D-2 0.00001 -0.00037 -0.00009 -0.00039 0.00002
|
|
166 6 H 1S -0.01495 0.03790 0.00830 0.02077 -0.00230
|
|
167 2S -0.01913 0.04693 0.01020 0.02148 -0.00292
|
|
168 3S -0.00406 0.00088 -0.00008 -0.00534 0.00044
|
|
169 4S -0.00016 -0.00048 -0.00013 -0.00068 0.00011
|
|
170 5PX 0.00083 -0.00176 -0.00038 -0.00111 0.00006
|
|
171 5PY 0.00064 -0.00137 -0.00029 -0.00021 0.00011
|
|
172 5PZ -0.00156 0.00332 0.00072 0.00184 -0.00021
|
|
173 6PX 0.00073 -0.00078 -0.00014 -0.00062 -0.00009
|
|
174 6PY 0.00122 -0.00149 -0.00024 0.00226 0.00014
|
|
175 6PZ -0.00152 0.00196 0.00039 0.00053 -0.00015
|
|
176 7PX 0.00001 0.00111 0.00029 0.00194 -0.00011
|
|
177 7PY 0.00021 0.00208 0.00051 0.00144 -0.00019
|
|
178 7PZ 0.00029 -0.00336 -0.00080 -0.00297 0.00027
|
|
179 8D 0 -0.00028 0.00037 0.00008 0.00034 -0.00003
|
|
180 8D+1 0.00037 -0.00051 -0.00010 -0.00036 0.00002
|
|
181 8D-1 0.00036 -0.00048 -0.00009 0.00002 0.00004
|
|
182 8D+2 0.00003 -0.00007 -0.00001 0.00022 0.00002
|
|
183 8D-2 -0.00019 0.00025 0.00005 0.00001 -0.00001
|
|
184 9D 0 0.00031 -0.00104 -0.00022 -0.00025 0.00004
|
|
185 9D+1 -0.00034 0.00139 0.00031 0.00056 -0.00007
|
|
186 9D-1 -0.00007 0.00090 0.00021 0.00072 -0.00004
|
|
187 9D+2 0.00010 -0.00009 -0.00001 0.00040 0.00002
|
|
188 9D-2 0.00001 -0.00037 -0.00009 -0.00039 0.00002
|
|
6 7 8 9 10
|
|
6 6PX 0.05760
|
|
7 6PY 0.00043 0.04360
|
|
8 6PZ 0.00000 0.00000 0.05803
|
|
9 7PX 0.07614 0.00103 0.00000 0.10066
|
|
10 7PY 0.00005 0.06004 0.00000 0.00070 0.08275
|
|
11 7PZ 0.00000 0.00000 0.07681 0.00000 0.00000
|
|
12 8PX 0.05950 0.00434 0.00000 0.07867 0.00543
|
|
13 8PY -0.00028 0.03991 0.00000 0.00008 0.05487
|
|
14 8PZ 0.00000 0.00000 0.05562 0.00000 0.00000
|
|
15 9PX 0.00296 -0.00053 0.00000 0.00390 -0.00076
|
|
16 9PY 0.00010 0.00367 0.00000 0.00016 0.00505
|
|
17 9PZ 0.00000 0.00000 0.00346 0.00000 0.00000
|
|
18 10D 0 0.00315 0.00192 0.00000 0.00418 0.00261
|
|
19 10D+1 0.00000 0.00000 0.00352 0.00000 0.00000
|
|
20 10D-1 0.00000 0.00000 0.00291 0.00000 0.00000
|
|
21 10D+2 -0.00237 0.00286 0.00000 -0.00311 0.00395
|
|
22 10D-2 0.00221 0.00027 0.00000 0.00292 0.00034
|
|
23 11D 0 0.00729 0.00668 0.00000 0.00969 0.00916
|
|
24 11D+1 0.00000 0.00000 0.00802 0.00000 0.00000
|
|
25 11D-1 0.00000 0.00000 0.00450 0.00000 0.00000
|
|
26 11D+2 -0.00604 0.00938 0.00000 -0.00790 0.01301
|
|
27 11D-2 0.00235 0.00090 0.00000 0.00310 0.00123
|
|
28 12D 0 0.00633 0.00440 0.00000 0.00842 0.00600
|
|
29 12D+1 0.00000 0.00000 0.00495 0.00000 0.00000
|
|
30 12D-1 0.00000 0.00000 0.00445 0.00000 0.00000
|
|
31 12D+2 -0.00419 0.00168 0.00000 -0.00552 0.00231
|
|
32 12D-2 0.00286 0.00177 0.00000 0.00380 0.00242
|
|
33 13F 0 0.00000 0.00000 -0.00011 0.00000 0.00000
|
|
34 13F+1 -0.00012 0.00043 0.00000 -0.00016 0.00056
|
|
35 13F-1 0.00027 -0.00051 0.00000 0.00034 -0.00073
|
|
36 13F+2 0.00000 0.00000 -0.00016 0.00000 0.00000
|
|
37 13F-2 0.00000 0.00000 0.00037 0.00000 0.00000
|
|
38 13F+3 -0.00008 -0.00013 0.00000 -0.00011 -0.00017
|
|
39 13F-3 -0.00010 -0.00076 0.00000 -0.00014 -0.00109
|
|
40 14F 0 0.00000 0.00000 -0.00031 0.00000 0.00000
|
|
41 14F+1 -0.00089 0.00281 0.00000 -0.00115 0.00389
|
|
42 14F-1 0.00041 -0.00015 0.00000 0.00054 -0.00022
|
|
43 14F+2 0.00000 0.00000 0.00030 0.00000 0.00000
|
|
44 14F-2 0.00000 0.00000 0.00086 0.00000 0.00000
|
|
45 14F+3 0.00044 -0.00051 0.00000 0.00058 -0.00071
|
|
46 14F-3 -0.00046 -0.00030 0.00000 -0.00061 -0.00041
|
|
47 2 S 1S 0.00040 -0.00286 0.00000 0.00064 -0.00392
|
|
48 2S -0.00163 0.01078 0.00000 -0.00255 0.01492
|
|
49 3S 0.00309 -0.01977 0.00000 0.00476 -0.02849
|
|
50 4S 0.00056 -0.00180 0.00000 0.00082 -0.00263
|
|
51 5S 0.00481 0.00644 0.00000 0.00699 0.00821
|
|
52 6S 0.00292 0.00677 0.00000 0.00388 0.00925
|
|
53 7PX 0.00024 0.00005 0.00000 -0.00071 0.00107
|
|
54 7PY -0.00070 0.03429 0.00000 -0.00050 0.04625
|
|
55 7PZ 0.00000 0.00000 0.00162 0.00000 0.00000
|
|
56 8PX -0.00158 0.00089 0.00000 -0.00173 0.00097
|
|
57 8PY 0.00163 -0.07077 0.00000 0.00098 -0.09839
|
|
58 8PZ 0.00000 0.00000 -0.00463 0.00000 0.00000
|
|
59 9PX -0.00073 -0.00050 0.00000 -0.00089 -0.00074
|
|
60 9PY 0.00056 -0.02931 0.00000 0.00025 -0.04083
|
|
61 9PZ 0.00000 0.00000 -0.00215 0.00000 0.00000
|
|
62 10PX -0.00692 -0.00518 0.00000 -0.00909 -0.00720
|
|
63 10PY -0.00023 -0.03059 0.00000 -0.00082 -0.04250
|
|
64 10PZ 0.00000 0.00000 -0.01214 0.00000 0.00000
|
|
65 11PX -0.00062 -0.00162 0.00000 -0.00085 -0.00223
|
|
66 11PY -0.00018 0.00006 0.00000 -0.00025 0.00008
|
|
67 11PZ 0.00000 0.00000 -0.00259 0.00000 0.00000
|
|
68 12D 0 0.00091 0.00271 0.00000 0.00122 0.00381
|
|
69 12D+1 0.00000 0.00000 0.00020 0.00000 0.00000
|
|
70 12D-1 0.00000 0.00000 0.00389 0.00000 0.00000
|
|
71 12D+2 -0.00149 0.00814 0.00000 -0.00177 0.01136
|
|
72 12D-2 0.00446 -0.00098 0.00000 0.00587 -0.00139
|
|
73 13D 0 0.00080 0.00318 0.00000 0.00108 0.00448
|
|
74 13D+1 0.00000 0.00000 0.00008 0.00000 0.00000
|
|
75 13D-1 0.00000 0.00000 0.00346 0.00000 0.00000
|
|
76 13D+2 -0.00136 0.00763 0.00000 -0.00162 0.01064
|
|
77 13D-2 0.00394 -0.00084 0.00000 0.00518 -0.00119
|
|
78 14D 0 -0.00034 0.00056 0.00000 -0.00042 0.00077
|
|
79 14D+1 0.00000 0.00000 -0.00038 0.00000 0.00000
|
|
80 14D-1 0.00000 0.00000 -0.00093 0.00000 0.00000
|
|
81 14D+2 -0.00032 0.00084 0.00000 -0.00039 0.00118
|
|
82 14D-2 -0.00182 -0.00149 0.00000 -0.00243 -0.00204
|
|
83 15F 0 0.00000 0.00000 -0.00084 0.00000 0.00000
|
|
84 15F+1 -0.00014 -0.00031 0.00000 -0.00021 -0.00042
|
|
85 15F-1 0.00004 0.00185 0.00000 0.00008 0.00258
|
|
86 15F+2 0.00000 0.00000 -0.00120 0.00000 0.00000
|
|
87 15F-2 0.00000 0.00000 0.00019 0.00000 0.00000
|
|
88 15F+3 -0.00176 0.00014 0.00000 -0.00231 0.00020
|
|
89 15F-3 0.00003 0.00149 0.00000 0.00006 0.00210
|
|
90 16F 0 0.00000 0.00000 0.00004 0.00000 0.00000
|
|
91 16F+1 -0.00004 -0.00011 0.00000 -0.00006 -0.00015
|
|
92 16F-1 -0.00006 0.00011 0.00000 -0.00007 0.00015
|
|
93 16F+2 0.00000 0.00000 -0.00002 0.00000 0.00000
|
|
94 16F-2 0.00000 0.00000 0.00012 0.00000 0.00000
|
|
95 16F+3 -0.00004 0.00036 0.00000 -0.00004 0.00050
|
|
96 16F-3 0.00011 -0.00026 0.00000 0.00015 -0.00036
|
|
97 3 H 1S -0.00341 0.00393 0.00000 -0.00417 0.00525
|
|
98 2S -0.00649 0.00444 0.00000 -0.00812 0.00589
|
|
99 3S -0.00482 0.00905 0.00000 -0.00617 0.01249
|
|
100 4S -0.00043 0.00207 0.00000 -0.00055 0.00285
|
|
101 5PX 0.00009 -0.00026 0.00000 0.00008 -0.00034
|
|
102 5PY 0.00015 -0.00067 0.00000 0.00019 -0.00093
|
|
103 5PZ 0.00000 0.00000 -0.00008 0.00000 0.00000
|
|
104 6PX -0.00028 0.00068 0.00000 -0.00039 0.00097
|
|
105 6PY 0.00029 -0.00191 0.00000 0.00035 -0.00267
|
|
106 6PZ 0.00000 0.00000 -0.00034 0.00000 0.00000
|
|
107 7PX -0.00019 -0.00144 0.00000 -0.00025 -0.00201
|
|
108 7PY 0.00182 0.00202 0.00000 0.00242 0.00278
|
|
109 7PZ 0.00000 0.00000 -0.00058 0.00000 0.00000
|
|
110 8D 0 -0.00006 0.00013 0.00000 -0.00008 0.00019
|
|
111 8D+1 0.00000 0.00000 0.00002 0.00000 0.00000
|
|
112 8D-1 0.00000 0.00000 0.00004 0.00000 0.00000
|
|
113 8D+2 0.00004 0.00001 0.00000 0.00006 0.00001
|
|
114 8D-2 -0.00007 0.00045 0.00000 -0.00008 0.00063
|
|
115 9D 0 -0.00008 -0.00008 0.00000 -0.00011 -0.00011
|
|
116 9D+1 0.00000 0.00000 0.00010 0.00000 0.00000
|
|
117 9D-1 0.00000 0.00000 -0.00002 0.00000 0.00000
|
|
118 9D+2 -0.00004 -0.00032 0.00000 -0.00007 -0.00044
|
|
119 9D-2 -0.00030 0.00021 0.00000 -0.00038 0.00029
|
|
120 4 H 1S -0.04039 0.01055 0.00000 -0.05340 0.01429
|
|
121 2S -0.05125 0.00968 0.00000 -0.06779 0.01304
|
|
122 3S 0.01348 0.00748 0.00000 0.01792 0.01019
|
|
123 4S 0.00215 -0.00137 0.00000 0.00282 -0.00192
|
|
124 5PX -0.00311 0.00111 0.00000 -0.00412 0.00149
|
|
125 5PY 0.00129 0.00062 0.00000 0.00171 0.00086
|
|
126 5PZ 0.00000 0.00000 0.00117 0.00000 0.00000
|
|
127 6PX 0.00008 0.00020 0.00000 0.00011 0.00024
|
|
128 6PY 0.00009 0.00366 0.00000 0.00016 0.00507
|
|
129 6PZ 0.00000 0.00000 0.00293 0.00000 0.00000
|
|
130 7PX 0.00732 0.00017 0.00000 0.00969 0.00023
|
|
131 7PY -0.00184 0.00040 0.00000 -0.00244 0.00055
|
|
132 7PZ 0.00000 0.00000 0.00007 0.00000 0.00000
|
|
133 8D 0 0.00033 -0.00002 0.00000 0.00044 -0.00003
|
|
134 8D+1 0.00000 0.00000 0.00049 0.00000 0.00000
|
|
135 8D-1 0.00000 0.00000 -0.00011 0.00000 0.00000
|
|
136 8D+2 -0.00049 0.00049 0.00000 -0.00064 0.00067
|
|
137 8D-2 0.00041 0.00041 0.00000 0.00055 0.00057
|
|
138 9D 0 -0.00037 0.00030 0.00000 -0.00049 0.00040
|
|
139 9D+1 0.00000 0.00000 0.00036 0.00000 0.00000
|
|
140 9D-1 0.00000 0.00000 -0.00009 0.00000 0.00000
|
|
141 9D+2 0.00034 0.00045 0.00000 0.00046 0.00064
|
|
142 9D-2 -0.00051 0.00063 0.00000 -0.00067 0.00087
|
|
143 5 H 1S 0.01885 0.01351 0.03474 0.02491 0.01781
|
|
144 2S 0.02616 0.01177 0.04591 0.03453 0.01518
|
|
145 3S -0.00508 -0.00696 -0.00450 -0.00679 -0.00959
|
|
146 4S -0.00073 -0.00059 -0.00149 -0.00097 -0.00081
|
|
147 5PX 0.00022 -0.00065 -0.00167 0.00030 -0.00087
|
|
148 5PY -0.00079 0.00035 -0.00142 -0.00103 0.00052
|
|
149 5PZ -0.00171 -0.00122 -0.00201 -0.00226 -0.00161
|
|
150 6PX 0.00259 -0.00007 -0.00153 0.00342 -0.00010
|
|
151 6PY -0.00045 0.00412 -0.00046 -0.00054 0.00572
|
|
152 6PZ -0.00162 -0.00006 0.00089 -0.00213 -0.00003
|
|
153 7PX 0.00241 0.00268 0.00233 0.00322 0.00365
|
|
154 7PY 0.00187 0.00111 0.00202 0.00247 0.00148
|
|
155 7PZ 0.00202 0.00251 0.00417 0.00269 0.00339
|
|
156 8D 0 0.00045 0.00038 0.00007 0.00060 0.00052
|
|
157 8D+1 -0.00006 0.00025 0.00046 -0.00008 0.00034
|
|
158 8D-1 0.00032 -0.00025 0.00039 0.00042 -0.00036
|
|
159 8D+2 -0.00020 0.00033 0.00009 -0.00026 0.00046
|
|
160 8D-2 -0.00003 -0.00013 0.00032 -0.00004 -0.00018
|
|
161 9D 0 0.00020 0.00022 -0.00044 0.00027 0.00032
|
|
162 9D+1 -0.00042 -0.00017 -0.00027 -0.00055 -0.00021
|
|
163 9D-1 -0.00011 -0.00062 -0.00041 -0.00015 -0.00085
|
|
164 9D+2 -0.00017 0.00059 0.00021 -0.00022 0.00082
|
|
165 9D-2 -0.00034 -0.00046 -0.00014 -0.00046 -0.00062
|
|
166 6 H 1S 0.01885 0.01351 -0.03474 0.02491 0.01781
|
|
167 2S 0.02616 0.01177 -0.04591 0.03453 0.01518
|
|
168 3S -0.00508 -0.00696 0.00450 -0.00679 -0.00959
|
|
169 4S -0.00073 -0.00059 0.00149 -0.00097 -0.00081
|
|
170 5PX 0.00022 -0.00065 0.00167 0.00030 -0.00087
|
|
171 5PY -0.00079 0.00035 0.00142 -0.00103 0.00052
|
|
172 5PZ 0.00171 0.00122 -0.00201 0.00226 0.00161
|
|
173 6PX 0.00259 -0.00007 0.00153 0.00342 -0.00010
|
|
174 6PY -0.00045 0.00412 0.00046 -0.00054 0.00572
|
|
175 6PZ 0.00162 0.00006 0.00089 0.00213 0.00003
|
|
176 7PX 0.00241 0.00268 -0.00233 0.00322 0.00365
|
|
177 7PY 0.00187 0.00111 -0.00202 0.00247 0.00148
|
|
178 7PZ -0.00202 -0.00251 0.00417 -0.00269 -0.00339
|
|
179 8D 0 0.00045 0.00038 -0.00007 0.00060 0.00052
|
|
180 8D+1 0.00006 -0.00025 0.00046 0.00008 -0.00034
|
|
181 8D-1 -0.00032 0.00025 0.00039 -0.00042 0.00036
|
|
182 8D+2 -0.00020 0.00033 -0.00009 -0.00026 0.00046
|
|
183 8D-2 -0.00003 -0.00013 -0.00032 -0.00004 -0.00018
|
|
184 9D 0 0.00020 0.00022 0.00044 0.00027 0.00032
|
|
185 9D+1 0.00042 0.00017 -0.00027 0.00055 0.00021
|
|
186 9D-1 0.00011 0.00062 -0.00041 0.00015 0.00085
|
|
187 9D+2 -0.00017 0.00059 -0.00021 -0.00022 0.00082
|
|
188 9D-2 -0.00034 -0.00046 0.00014 -0.00046 -0.00062
|
|
11 12 13 14 15
|
|
11 7PZ 0.10169
|
|
12 8PX 0.00000 0.06199
|
|
13 8PY 0.00000 0.00321 0.03723
|
|
14 8PZ 0.07364 0.00000 0.00000 0.05342
|
|
15 9PX 0.00000 0.00308 -0.00056 0.00000 0.00019
|
|
16 9PY 0.00000 0.00039 0.00333 0.00000 -0.00006
|
|
17 9PZ 0.00459 0.00000 0.00000 0.00330 0.00000
|
|
18 10D 0 0.00000 0.00344 0.00169 0.00000 0.00014
|
|
19 10D+1 0.00466 0.00000 0.00000 0.00337 0.00000
|
|
20 10D-1 0.00386 0.00000 0.00000 0.00276 0.00000
|
|
21 10D+2 0.00000 -0.00220 0.00259 0.00000 -0.00016
|
|
22 10D-2 0.00000 0.00237 0.00023 0.00000 0.00014
|
|
23 11D 0 0.00000 0.00815 0.00591 0.00000 0.00031
|
|
24 11D+1 0.01062 0.00000 0.00000 0.00769 0.00000
|
|
25 11D-1 0.00598 0.00000 0.00000 0.00425 0.00000
|
|
26 11D+2 0.00000 -0.00541 0.00843 0.00000 -0.00043
|
|
27 11D-2 0.00000 0.00267 0.00080 0.00000 0.00018
|
|
28 12D 0 0.00000 0.00690 0.00399 0.00000 0.00025
|
|
29 12D+1 0.00655 0.00000 0.00000 0.00479 0.00000
|
|
30 12D-1 0.00589 0.00000 0.00000 0.00429 0.00000
|
|
31 12D+2 0.00000 -0.00418 0.00162 0.00000 -0.00024
|
|
32 12D-2 0.00000 0.00305 0.00145 0.00000 0.00010
|
|
33 13F 0 -0.00014 0.00000 0.00000 -0.00011 0.00000
|
|
34 13F+1 0.00000 -0.00007 0.00043 0.00000 0.00000
|
|
35 13F-1 0.00000 0.00023 -0.00040 0.00000 0.00002
|
|
36 13F+2 -0.00021 0.00000 0.00000 -0.00016 0.00000
|
|
37 13F-2 0.00049 0.00000 0.00000 0.00035 0.00000
|
|
38 13F+3 0.00000 -0.00006 -0.00014 0.00000 0.00001
|
|
39 13F-3 0.00000 -0.00016 -0.00063 0.00000 0.00001
|
|
40 14F 0 -0.00041 0.00000 0.00000 -0.00031 0.00000
|
|
41 14F+1 0.00000 -0.00068 0.00252 0.00000 -0.00008
|
|
42 14F-1 0.00000 0.00043 -0.00017 0.00000 0.00003
|
|
43 14F+2 0.00039 0.00000 0.00000 0.00027 0.00000
|
|
44 14F-2 0.00113 0.00000 0.00000 0.00082 0.00000
|
|
45 14F+3 0.00000 0.00040 -0.00042 0.00000 0.00003
|
|
46 14F-3 0.00000 -0.00053 -0.00025 0.00000 -0.00003
|
|
47 2 S 1S 0.00000 0.00067 -0.00047 0.00000 0.00007
|
|
48 2S 0.00000 -0.00227 0.00208 0.00000 -0.00026
|
|
49 3S 0.00000 0.00096 -0.00502 0.00000 0.00003
|
|
50 4S 0.00000 0.00034 -0.00019 0.00000 0.00003
|
|
51 5S 0.00000 0.00599 0.01447 0.00000 0.00024
|
|
52 6S 0.00000 0.00385 0.00599 0.00000 0.00017
|
|
53 7PX 0.00000 0.00720 -0.00064 0.00000 0.00108
|
|
54 7PY 0.00000 0.00178 0.02760 0.00000 -0.00043
|
|
55 7PZ 0.00263 0.00000 0.00000 0.01009 0.00000
|
|
56 8PX 0.00000 -0.00657 0.00105 0.00000 -0.00224
|
|
57 8PY 0.00000 -0.00466 -0.06628 0.00000 0.00110
|
|
58 8PZ -0.00654 0.00000 0.00000 -0.00295 0.00000
|
|
59 9PX 0.00000 -0.00253 -0.00039 0.00000 -0.00091
|
|
60 9PY 0.00000 -0.00210 -0.02782 0.00000 0.00045
|
|
61 9PZ -0.00299 0.00000 0.00000 -0.00084 0.00000
|
|
62 10PX 0.00000 -0.01010 -0.00524 0.00000 -0.00136
|
|
63 10PY 0.00000 -0.00323 -0.02903 0.00000 0.00033
|
|
64 10PZ -0.01637 0.00000 0.00000 -0.01047 0.00000
|
|
65 11PX 0.00000 -0.00080 -0.00156 0.00000 -0.00001
|
|
66 11PY 0.00000 -0.00025 -0.00013 0.00000 -0.00004
|
|
67 11PZ -0.00345 0.00000 0.00000 -0.00237 0.00000
|
|
68 12D 0 0.00000 0.00148 0.00236 0.00000 0.00014
|
|
69 12D+1 0.00026 0.00000 0.00000 0.00020 0.00000
|
|
70 12D-1 0.00515 0.00000 0.00000 0.00373 0.00000
|
|
71 12D+2 0.00000 -0.00141 0.00764 0.00000 -0.00046
|
|
72 12D-2 0.00000 0.00459 -0.00098 0.00000 0.00028
|
|
73 13D 0 0.00000 0.00142 0.00272 0.00000 0.00013
|
|
74 13D+1 0.00010 0.00000 0.00000 0.00010 0.00000
|
|
75 13D-1 0.00458 0.00000 0.00000 0.00333 0.00000
|
|
76 13D+2 0.00000 -0.00128 0.00722 0.00000 -0.00043
|
|
77 13D-2 0.00000 0.00410 -0.00091 0.00000 0.00026
|
|
78 14D 0 0.00000 -0.00021 0.00070 0.00000 0.00001
|
|
79 14D+1 -0.00051 0.00000 0.00000 -0.00036 0.00000
|
|
80 14D-1 -0.00124 0.00000 0.00000 -0.00087 0.00000
|
|
81 14D+2 0.00000 -0.00039 0.00079 0.00000 -0.00009
|
|
82 14D-2 0.00000 -0.00208 -0.00136 0.00000 -0.00010
|
|
83 15F 0 -0.00110 0.00000 0.00000 -0.00082 0.00000
|
|
84 15F+1 0.00000 -0.00003 -0.00038 0.00000 0.00006
|
|
85 15F-1 0.00000 0.00019 0.00167 0.00000 -0.00003
|
|
86 15F+2 -0.00159 0.00000 0.00000 -0.00115 0.00000
|
|
87 15F-2 0.00025 0.00000 0.00000 0.00018 0.00000
|
|
88 15F+3 0.00000 -0.00193 0.00025 0.00000 -0.00015
|
|
89 15F-3 0.00000 0.00022 0.00125 0.00000 0.00000
|
|
90 16F 0 0.00005 0.00000 0.00000 0.00003 0.00000
|
|
91 16F+1 0.00000 -0.00003 -0.00008 0.00000 0.00001
|
|
92 16F-1 0.00000 -0.00004 0.00009 0.00000 0.00000
|
|
93 16F+2 -0.00003 0.00000 0.00000 -0.00002 0.00000
|
|
94 16F-2 0.00016 0.00000 0.00000 0.00012 0.00000
|
|
95 16F+3 0.00000 -0.00003 0.00034 0.00000 -0.00002
|
|
96 16F-3 0.00000 0.00006 -0.00020 0.00000 0.00000
|
|
97 3 H 1S 0.00000 -0.00541 0.00548 0.00000 -0.00123
|
|
98 2S 0.00000 -0.00974 0.00657 0.00000 -0.00193
|
|
99 3S 0.00000 -0.00525 0.00858 0.00000 -0.00084
|
|
100 4S 0.00000 -0.00035 0.00187 0.00000 -0.00009
|
|
101 5PX 0.00000 0.00024 -0.00045 0.00000 0.00009
|
|
102 5PY 0.00000 0.00006 -0.00060 0.00000 0.00000
|
|
103 5PZ -0.00011 0.00000 0.00000 -0.00006 0.00000
|
|
104 6PX 0.00000 -0.00013 0.00033 0.00000 0.00003
|
|
105 6PY 0.00000 0.00011 -0.00180 0.00000 0.00003
|
|
106 6PZ -0.00047 0.00000 0.00000 -0.00027 0.00000
|
|
107 7PX 0.00000 -0.00051 -0.00118 0.00000 -0.00007
|
|
108 7PY 0.00000 0.00209 0.00175 0.00000 0.00008
|
|
109 7PZ -0.00078 0.00000 0.00000 -0.00052 0.00000
|
|
110 8D 0 0.00000 -0.00003 0.00009 0.00000 0.00000
|
|
111 8D+1 0.00002 0.00000 0.00000 0.00001 0.00000
|
|
112 8D-1 0.00006 0.00000 0.00000 0.00004 0.00000
|
|
113 8D+2 0.00000 0.00001 0.00006 0.00000 -0.00001
|
|
114 8D-2 0.00000 -0.00002 0.00041 0.00000 -0.00001
|
|
115 9D 0 0.00000 -0.00010 -0.00006 0.00000 -0.00001
|
|
116 9D+1 0.00013 0.00000 0.00000 0.00008 0.00000
|
|
117 9D-1 -0.00002 0.00000 0.00000 -0.00001 0.00000
|
|
118 9D+2 0.00000 0.00000 -0.00032 0.00000 0.00003
|
|
119 9D-2 0.00000 -0.00031 0.00022 0.00000 -0.00003
|
|
120 4 H 1S 0.00000 -0.04074 0.01080 0.00000 -0.00216
|
|
121 2S 0.00000 -0.05206 0.01049 0.00000 -0.00271
|
|
122 3S 0.00000 0.01415 0.00653 0.00000 0.00039
|
|
123 4S 0.00000 0.00218 -0.00135 0.00000 0.00016
|
|
124 5PX 0.00000 -0.00311 0.00112 0.00000 -0.00017
|
|
125 5PY 0.00000 0.00137 0.00054 0.00000 0.00005
|
|
126 5PZ 0.00154 0.00000 0.00000 0.00112 0.00000
|
|
127 6PX 0.00000 0.00011 0.00023 0.00000 0.00001
|
|
128 6PY 0.00000 0.00044 0.00326 0.00000 -0.00004
|
|
129 6PZ 0.00388 0.00000 0.00000 0.00281 0.00000
|
|
130 7PX 0.00000 0.00748 -0.00005 0.00000 0.00032
|
|
131 7PY 0.00000 -0.00185 0.00033 0.00000 -0.00009
|
|
132 7PZ 0.00009 0.00000 0.00000 0.00010 0.00000
|
|
133 8D 0 0.00000 0.00034 -0.00004 0.00000 0.00002
|
|
134 8D+1 0.00065 0.00000 0.00000 0.00047 0.00000
|
|
135 8D-1 -0.00015 0.00000 0.00000 -0.00011 0.00000
|
|
136 8D+2 0.00000 -0.00046 0.00045 0.00000 -0.00003
|
|
137 8D-2 0.00000 0.00046 0.00036 0.00000 0.00001
|
|
138 9D 0 0.00000 -0.00035 0.00032 0.00000 -0.00002
|
|
139 9D+1 0.00048 0.00000 0.00000 0.00035 0.00000
|
|
140 9D-1 -0.00012 0.00000 0.00000 -0.00009 0.00000
|
|
141 9D+2 0.00000 0.00037 0.00038 0.00000 0.00000
|
|
142 9D-2 0.00000 -0.00045 0.00058 0.00000 -0.00002
|
|
143 5 H 1S 0.04600 0.02082 0.01286 0.03327 0.00091
|
|
144 2S 0.06079 0.02829 0.01155 0.04392 0.00136
|
|
145 3S -0.00589 -0.00552 -0.00598 -0.00473 -0.00002
|
|
146 4S -0.00197 -0.00080 -0.00047 -0.00145 -0.00003
|
|
147 5PX -0.00222 0.00017 -0.00063 -0.00160 0.00001
|
|
148 5PY -0.00188 -0.00078 0.00031 -0.00136 -0.00005
|
|
149 5PZ -0.00266 -0.00189 -0.00115 -0.00193 -0.00008
|
|
150 6PX -0.00203 0.00266 -0.00011 -0.00146 0.00013
|
|
151 6PY -0.00061 -0.00010 0.00373 -0.00045 -0.00008
|
|
152 6PZ 0.00117 -0.00169 -0.00009 0.00085 -0.00009
|
|
153 7PX 0.00308 0.00268 0.00247 0.00226 0.00007
|
|
154 7PY 0.00267 0.00202 0.00100 0.00196 0.00008
|
|
155 7PZ 0.00551 0.00228 0.00226 0.00406 0.00006
|
|
156 8D 0 0.00009 0.00051 0.00035 0.00006 0.00002
|
|
157 8D+1 0.00061 -0.00003 0.00024 0.00044 0.00000
|
|
158 8D-1 0.00052 0.00031 -0.00022 0.00037 0.00002
|
|
159 8D+2 0.00012 -0.00017 0.00030 0.00009 -0.00001
|
|
160 8D-2 0.00042 -0.00004 -0.00011 0.00031 0.00000
|
|
161 9D 0 -0.00059 0.00023 0.00017 -0.00042 0.00001
|
|
162 9D+1 -0.00036 -0.00045 -0.00019 -0.00026 -0.00002
|
|
163 9D-1 -0.00054 -0.00017 -0.00059 -0.00039 0.00000
|
|
164 9D+2 0.00028 -0.00012 0.00053 0.00021 -0.00001
|
|
165 9D-2 -0.00018 -0.00039 -0.00043 -0.00013 -0.00001
|
|
166 6 H 1S -0.04600 0.02082 0.01286 -0.03327 0.00091
|
|
167 2S -0.06079 0.02829 0.01155 -0.04392 0.00136
|
|
168 3S 0.00589 -0.00552 -0.00598 0.00473 -0.00002
|
|
169 4S 0.00197 -0.00080 -0.00047 0.00145 -0.00003
|
|
170 5PX 0.00222 0.00017 -0.00063 0.00160 0.00001
|
|
171 5PY 0.00188 -0.00078 0.00031 0.00136 -0.00005
|
|
172 5PZ -0.00266 0.00189 0.00115 -0.00193 0.00008
|
|
173 6PX 0.00203 0.00266 -0.00011 0.00146 0.00013
|
|
174 6PY 0.00061 -0.00010 0.00373 0.00045 -0.00008
|
|
175 6PZ 0.00117 0.00169 0.00009 0.00085 0.00009
|
|
176 7PX -0.00308 0.00268 0.00247 -0.00226 0.00007
|
|
177 7PY -0.00267 0.00202 0.00100 -0.00196 0.00008
|
|
178 7PZ 0.00551 -0.00228 -0.00226 0.00406 -0.00006
|
|
179 8D 0 -0.00009 0.00051 0.00035 -0.00006 0.00002
|
|
180 8D+1 0.00061 0.00003 -0.00024 0.00044 0.00000
|
|
181 8D-1 0.00052 -0.00031 0.00022 0.00037 -0.00002
|
|
182 8D+2 -0.00012 -0.00017 0.00030 -0.00009 -0.00001
|
|
183 8D-2 -0.00042 -0.00004 -0.00011 -0.00031 0.00000
|
|
184 9D 0 0.00059 0.00023 0.00017 0.00042 0.00001
|
|
185 9D+1 -0.00036 0.00045 0.00019 -0.00026 0.00002
|
|
186 9D-1 -0.00054 0.00017 0.00059 -0.00039 0.00000
|
|
187 9D+2 -0.00028 -0.00012 0.00053 -0.00021 -0.00001
|
|
188 9D-2 0.00018 -0.00039 -0.00043 0.00013 -0.00001
|
|
16 17 18 19 20
|
|
16 9PY 0.00035
|
|
17 9PZ 0.00000 0.00029
|
|
18 10D 0 0.00017 0.00000 0.00026
|
|
19 10D+1 0.00000 0.00023 0.00000 0.00022
|
|
20 10D-1 0.00000 0.00025 0.00000 0.00019 0.00021
|
|
21 10D+2 0.00026 0.00000 0.00000 0.00000 0.00000
|
|
22 10D-2 0.00000 0.00000 0.00013 0.00000 0.00000
|
|
23 11D 0 0.00057 0.00000 0.00069 0.00000 0.00000
|
|
24 11D+1 0.00000 0.00051 0.00000 0.00049 0.00043
|
|
25 11D-1 0.00000 0.00047 0.00000 0.00031 0.00041
|
|
26 11D+2 0.00083 0.00000 0.00009 0.00000 0.00000
|
|
27 11D-2 0.00001 0.00000 0.00018 0.00000 0.00000
|
|
28 12D 0 0.00038 0.00000 0.00053 0.00000 0.00000
|
|
29 12D+1 0.00000 0.00026 0.00000 0.00029 0.00022
|
|
30 12D-1 0.00000 0.00022 0.00000 0.00026 0.00018
|
|
31 12D+2 0.00016 0.00000 -0.00015 0.00000 0.00000
|
|
32 12D-2 0.00020 0.00000 0.00024 0.00000 0.00000
|
|
33 13F 0 0.00000 0.00001 0.00000 0.00000 0.00001
|
|
34 13F+1 0.00004 0.00000 0.00002 0.00000 0.00000
|
|
35 13F-1 -0.00003 0.00000 0.00000 0.00000 0.00000
|
|
36 13F+2 0.00000 0.00001 0.00000 0.00000 0.00001
|
|
37 13F-2 0.00000 0.00002 0.00000 0.00002 0.00002
|
|
38 13F+3 -0.00003 0.00000 -0.00001 0.00000 0.00000
|
|
39 13F-3 -0.00006 0.00000 -0.00003 0.00000 0.00000
|
|
40 14F 0 0.00000 0.00000 0.00000 -0.00002 0.00000
|
|
41 14F+1 0.00024 0.00000 0.00007 0.00000 0.00000
|
|
42 14F-1 -0.00001 0.00000 0.00002 0.00000 0.00000
|
|
43 14F+2 0.00000 0.00005 0.00000 0.00002 0.00004
|
|
44 14F-2 0.00000 0.00006 0.00000 0.00005 0.00005
|
|
45 14F+3 -0.00005 0.00000 0.00000 0.00000 0.00000
|
|
46 14F-3 -0.00003 0.00000 -0.00004 0.00000 0.00000
|
|
47 2 S 1S -0.00035 0.00000 -0.00019 0.00000 0.00000
|
|
48 2S 0.00146 0.00000 0.00069 0.00000 0.00000
|
|
49 3S -0.00382 0.00000 -0.00141 0.00000 0.00000
|
|
50 4S -0.00051 0.00000 -0.00014 0.00000 0.00000
|
|
51 5S -0.00125 0.00000 0.00009 0.00000 0.00000
|
|
52 6S 0.00059 0.00000 0.00049 0.00000 0.00000
|
|
53 7PX -0.00060 0.00000 0.00016 0.00000 0.00000
|
|
54 7PY 0.00169 0.00000 0.00121 0.00000 0.00000
|
|
55 7PZ 0.00000 0.00274 0.00000 0.00050 0.00210
|
|
56 8PX 0.00212 0.00000 -0.00029 0.00000 0.00000
|
|
57 8PY -0.00491 0.00000 -0.00270 0.00000 0.00000
|
|
58 8PZ 0.00000 -0.00510 0.00000 -0.00122 -0.00462
|
|
59 9PX 0.00082 0.00000 -0.00016 0.00000 0.00000
|
|
60 9PY -0.00209 0.00000 -0.00113 0.00000 0.00000
|
|
61 9PZ 0.00000 -0.00209 0.00000 -0.00052 -0.00192
|
|
62 10PX 0.00076 0.00000 -0.00068 0.00000 0.00000
|
|
63 10PY -0.00193 0.00000 -0.00120 0.00000 0.00000
|
|
64 10PZ 0.00000 -0.00430 0.00000 -0.00143 -0.00386
|
|
65 11PX -0.00012 0.00000 -0.00010 0.00000 0.00000
|
|
66 11PY 0.00009 0.00000 0.00000 0.00000 0.00000
|
|
67 11PZ 0.00000 -0.00051 0.00000 -0.00023 -0.00045
|
|
68 12D 0 0.00006 0.00000 0.00017 0.00000 0.00000
|
|
69 12D+1 0.00000 -0.00003 0.00000 0.00000 -0.00003
|
|
70 12D-1 0.00000 0.00021 0.00000 0.00023 0.00017
|
|
71 12D+2 0.00075 0.00000 0.00020 0.00000 0.00000
|
|
72 12D-2 -0.00010 0.00000 0.00021 0.00000 0.00000
|
|
73 13D 0 0.00013 0.00000 0.00019 0.00000 0.00000
|
|
74 13D+1 0.00000 -0.00004 0.00000 0.00000 -0.00004
|
|
75 13D-1 0.00000 0.00018 0.00000 0.00021 0.00015
|
|
76 13D+2 0.00073 0.00000 0.00019 0.00000 0.00000
|
|
77 13D-2 -0.00009 0.00000 0.00019 0.00000 0.00000
|
|
78 14D 0 -0.00004 0.00000 0.00000 0.00000 0.00000
|
|
79 14D+1 0.00000 -0.00005 0.00000 -0.00003 -0.00005
|
|
80 14D-1 0.00000 -0.00012 0.00000 -0.00007 -0.00011
|
|
81 14D+2 0.00009 0.00000 0.00000 0.00000 0.00000
|
|
82 14D-2 -0.00009 0.00000 -0.00016 0.00000 0.00000
|
|
83 15F 0 0.00000 0.00001 0.00000 -0.00004 0.00001
|
|
84 15F+1 -0.00007 0.00000 -0.00001 0.00000 0.00000
|
|
85 15F-1 0.00014 0.00000 0.00008 0.00000 0.00000
|
|
86 15F+2 0.00000 -0.00007 0.00000 -0.00007 -0.00006
|
|
87 15F-2 0.00000 0.00003 0.00000 0.00002 0.00003
|
|
88 15F+3 0.00004 0.00000 -0.00010 0.00000 0.00000
|
|
89 15F-3 0.00010 0.00000 0.00007 0.00000 0.00000
|
|
90 16F 0 0.00000 0.00004 0.00000 0.00001 0.00004
|
|
91 16F+1 -0.00002 0.00000 -0.00001 0.00000 0.00000
|
|
92 16F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
93 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
94 16F-2 0.00000 0.00002 0.00000 0.00001 0.00002
|
|
95 16F+3 0.00003 0.00000 0.00001 0.00000 0.00000
|
|
96 16F-3 -0.00003 0.00000 -0.00001 0.00000 0.00000
|
|
97 3 H 1S 0.00087 0.00000 -0.00023 0.00000 0.00000
|
|
98 2S 0.00132 0.00000 -0.00047 0.00000 0.00000
|
|
99 3S 0.00114 0.00000 0.00006 0.00000 0.00000
|
|
100 4S 0.00022 0.00000 0.00006 0.00000 0.00000
|
|
101 5PX -0.00005 0.00000 0.00001 0.00000 0.00000
|
|
102 5PY -0.00004 0.00000 -0.00002 0.00000 0.00000
|
|
103 5PZ 0.00000 -0.00006 0.00000 -0.00002 -0.00005
|
|
104 6PX 0.00006 0.00000 0.00003 0.00000 0.00000
|
|
105 6PY -0.00013 0.00000 -0.00006 0.00000 0.00000
|
|
106 6PZ 0.00000 -0.00020 0.00000 -0.00006 -0.00018
|
|
107 7PX -0.00007 0.00000 -0.00009 0.00000 0.00000
|
|
108 7PY 0.00017 0.00000 0.00019 0.00000 0.00000
|
|
109 7PZ 0.00000 -0.00013 0.00000 -0.00005 -0.00012
|
|
110 8D 0 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
111 8D+1 0.00000 0.00002 0.00000 0.00001 0.00002
|
|
112 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
113 8D+2 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
114 8D-2 0.00003 0.00000 0.00002 0.00000 0.00000
|
|
115 9D 0 0.00000 0.00000 -0.00001 0.00000 0.00000
|
|
116 9D+1 0.00000 0.00003 0.00000 0.00001 0.00003
|
|
117 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
118 9D+2 -0.00005 0.00000 -0.00001 0.00000 0.00000
|
|
119 9D-2 0.00002 0.00000 -0.00001 0.00000 0.00000
|
|
120 4 H 1S 0.00110 0.00000 -0.00167 0.00000 0.00000
|
|
121 2S 0.00107 0.00000 -0.00229 0.00000 0.00000
|
|
122 3S 0.00088 0.00000 0.00104 0.00000 0.00000
|
|
123 4S -0.00013 0.00000 0.00007 0.00000 0.00000
|
|
124 5PX 0.00011 0.00000 -0.00011 0.00000 0.00000
|
|
125 5PY 0.00005 0.00000 0.00009 0.00000 0.00000
|
|
126 5PZ 0.00000 0.00007 0.00000 0.00007 0.00006
|
|
127 6PX 0.00002 0.00000 0.00002 0.00000 0.00000
|
|
128 6PY 0.00031 0.00000 0.00017 0.00000 0.00000
|
|
129 6PZ 0.00000 0.00017 0.00000 0.00018 0.00014
|
|
130 7PX 0.00006 0.00000 0.00040 0.00000 0.00000
|
|
131 7PY 0.00005 0.00000 -0.00007 0.00000 0.00000
|
|
132 7PZ 0.00000 -0.00003 0.00000 0.00000 -0.00003
|
|
133 8D 0 0.00000 0.00000 0.00002 0.00000 0.00000
|
|
134 8D+1 0.00000 0.00003 0.00000 0.00003 0.00002
|
|
135 8D-1 0.00000 0.00000 0.00000 -0.00001 0.00000
|
|
136 8D+2 0.00004 0.00000 0.00000 0.00000 0.00000
|
|
137 8D-2 0.00003 0.00000 0.00004 0.00000 0.00000
|
|
138 9D 0 0.00003 0.00000 -0.00001 0.00000 0.00000
|
|
139 9D+1 0.00000 0.00002 0.00000 0.00002 0.00001
|
|
140 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
141 9D+2 0.00003 0.00000 0.00003 0.00000 0.00000
|
|
142 9D-2 0.00006 0.00000 0.00000 0.00000 0.00000
|
|
143 5 H 1S 0.00135 0.00220 0.00169 0.00213 0.00185
|
|
144 2S 0.00122 0.00298 0.00203 0.00283 0.00252
|
|
145 3S -0.00078 0.00060 -0.00057 -0.00010 0.00057
|
|
146 4S -0.00007 -0.00004 -0.00007 -0.00008 -0.00003
|
|
147 5PX -0.00006 -0.00010 -0.00002 -0.00010 -0.00008
|
|
148 5PY 0.00002 -0.00008 -0.00003 -0.00008 -0.00006
|
|
149 5PZ -0.00012 -0.00012 -0.00015 -0.00012 -0.00010
|
|
150 6PX -0.00001 -0.00010 0.00014 -0.00009 -0.00008
|
|
151 6PY 0.00033 -0.00001 0.00015 -0.00002 -0.00001
|
|
152 6PZ -0.00001 0.00005 -0.00009 0.00005 0.00004
|
|
153 7PX 0.00025 0.00007 0.00024 0.00013 0.00006
|
|
154 7PY 0.00012 0.00009 0.00015 0.00012 0.00008
|
|
155 7PZ 0.00026 0.00012 0.00023 0.00023 0.00009
|
|
156 8D 0 0.00003 0.00001 0.00004 0.00000 0.00001
|
|
157 8D+1 0.00002 0.00003 0.00001 0.00003 0.00002
|
|
158 8D-1 -0.00002 0.00002 0.00001 0.00002 0.00002
|
|
159 8D+2 0.00003 0.00001 0.00000 0.00001 0.00001
|
|
160 8D-2 -0.00001 0.00002 -0.00001 0.00002 0.00001
|
|
161 9D 0 0.00001 -0.00003 0.00002 -0.00003 -0.00002
|
|
162 9D+1 -0.00002 -0.00001 -0.00003 -0.00002 -0.00001
|
|
163 9D-1 -0.00006 -0.00003 -0.00004 -0.00002 -0.00002
|
|
164 9D+2 0.00005 0.00001 0.00002 0.00001 0.00001
|
|
165 9D-2 -0.00004 -0.00001 -0.00004 -0.00001 -0.00001
|
|
166 6 H 1S 0.00135 -0.00220 0.00169 -0.00213 -0.00185
|
|
167 2S 0.00122 -0.00298 0.00203 -0.00283 -0.00252
|
|
168 3S -0.00078 -0.00060 -0.00057 0.00010 -0.00057
|
|
169 4S -0.00007 0.00004 -0.00007 0.00008 0.00003
|
|
170 5PX -0.00006 0.00010 -0.00002 0.00010 0.00008
|
|
171 5PY 0.00002 0.00008 -0.00003 0.00008 0.00006
|
|
172 5PZ 0.00012 -0.00012 0.00015 -0.00012 -0.00010
|
|
173 6PX -0.00001 0.00010 0.00014 0.00009 0.00008
|
|
174 6PY 0.00033 0.00001 0.00015 0.00002 0.00001
|
|
175 6PZ 0.00001 0.00005 0.00009 0.00005 0.00004
|
|
176 7PX 0.00025 -0.00007 0.00024 -0.00013 -0.00006
|
|
177 7PY 0.00012 -0.00009 0.00015 -0.00012 -0.00008
|
|
178 7PZ -0.00026 0.00012 -0.00023 0.00023 0.00009
|
|
179 8D 0 0.00003 -0.00001 0.00004 0.00000 -0.00001
|
|
180 8D+1 -0.00002 0.00003 -0.00001 0.00003 0.00002
|
|
181 8D-1 0.00002 0.00002 -0.00001 0.00002 0.00002
|
|
182 8D+2 0.00003 -0.00001 0.00000 -0.00001 -0.00001
|
|
183 8D-2 -0.00001 -0.00002 -0.00001 -0.00002 -0.00001
|
|
184 9D 0 0.00001 0.00003 0.00002 0.00003 0.00002
|
|
185 9D+1 0.00002 -0.00001 0.00003 -0.00002 -0.00001
|
|
186 9D-1 0.00006 -0.00003 0.00004 -0.00002 -0.00002
|
|
187 9D+2 0.00005 -0.00001 0.00002 -0.00001 -0.00001
|
|
188 9D-2 -0.00004 0.00001 -0.00004 0.00001 0.00001
|
|
21 22 23 24 25
|
|
21 10D+2 0.00030
|
|
22 10D-2 -0.00008 0.00011
|
|
23 11D 0 0.00014 0.00032 0.00196
|
|
24 11D+1 0.00000 0.00000 0.00000 0.00112
|
|
25 11D-1 0.00000 0.00000 0.00000 0.00069 0.00085
|
|
26 11D+2 0.00090 -0.00020 0.00071 0.00000 0.00000
|
|
27 11D-2 -0.00006 0.00016 0.00046 0.00000 0.00000
|
|
28 12D 0 0.00002 0.00026 0.00145 0.00000 0.00000
|
|
29 12D+1 0.00000 0.00000 0.00000 0.00068 0.00030
|
|
30 12D-1 0.00000 0.00000 0.00000 0.00060 0.00022
|
|
31 12D+2 0.00030 -0.00016 -0.00028 0.00000 0.00000
|
|
32 12D-2 0.00002 0.00009 0.00064 0.00000 0.00000
|
|
33 13F 0 0.00000 0.00000 0.00000 -0.00001 0.00004
|
|
34 13F+1 0.00004 0.00000 0.00004 0.00000 0.00000
|
|
35 13F-1 -0.00004 0.00001 -0.00006 0.00000 0.00000
|
|
36 13F+2 0.00000 0.00000 0.00000 -0.00001 0.00005
|
|
37 13F-2 0.00000 0.00000 0.00000 0.00005 0.00003
|
|
38 13F+3 -0.00001 0.00001 -0.00002 0.00000 0.00000
|
|
39 13F-3 -0.00004 0.00000 -0.00014 0.00000 0.00000
|
|
40 14F 0 0.00000 0.00000 0.00000 -0.00004 0.00002
|
|
41 14F+1 0.00023 -0.00002 0.00032 0.00000 0.00000
|
|
42 14F-1 -0.00003 0.00002 0.00003 0.00000 0.00000
|
|
43 14F+2 0.00000 0.00000 0.00000 0.00005 0.00010
|
|
44 14F-2 0.00000 0.00000 0.00000 0.00012 0.00008
|
|
45 14F+3 -0.00006 0.00002 -0.00003 0.00000 0.00000
|
|
46 14F-3 -0.00001 -0.00003 -0.00011 0.00000 0.00000
|
|
47 2 S 1S -0.00040 0.00010 -0.00067 0.00000 0.00000
|
|
48 2S 0.00154 -0.00038 0.00263 0.00000 0.00000
|
|
49 3S -0.00318 0.00080 -0.00487 0.00000 0.00000
|
|
50 4S -0.00039 0.00015 -0.00045 0.00000 0.00000
|
|
51 5S -0.00108 0.00107 0.00026 0.00000 0.00000
|
|
52 6S 0.00036 0.00021 0.00145 0.00000 0.00000
|
|
53 7PX -0.00031 0.00102 0.00052 0.00000 0.00000
|
|
54 7PY 0.00180 0.00031 0.00526 0.00000 0.00000
|
|
55 7PZ 0.00000 0.00000 0.00000 0.00175 0.00515
|
|
56 8PX 0.00089 -0.00208 -0.00085 0.00000 0.00000
|
|
57 8PY -0.00407 -0.00060 -0.01044 0.00000 0.00000
|
|
58 8PZ 0.00000 0.00000 0.00000 -0.00220 -0.01218
|
|
59 9PX 0.00032 -0.00085 -0.00049 0.00000 0.00000
|
|
60 9PY -0.00170 -0.00025 -0.00432 0.00000 0.00000
|
|
61 9PZ 0.00000 0.00000 0.00000 -0.00089 -0.00508
|
|
62 10PX 0.00045 -0.00137 -0.00195 0.00000 0.00000
|
|
63 10PY -0.00161 -0.00043 -0.00460 0.00000 0.00000
|
|
64 10PZ 0.00000 0.00000 0.00000 -0.00283 -0.00970
|
|
65 11PX -0.00007 -0.00004 -0.00031 0.00000 0.00000
|
|
66 11PY 0.00006 -0.00005 0.00001 0.00000 0.00000
|
|
67 11PZ 0.00000 0.00000 0.00000 -0.00047 -0.00107
|
|
68 12D 0 0.00007 0.00018 0.00060 0.00000 0.00000
|
|
69 12D+1 0.00000 0.00000 0.00000 0.00001 -0.00010
|
|
70 12D-1 0.00000 0.00000 0.00000 0.00053 0.00025
|
|
71 12D+2 0.00058 -0.00021 0.00095 0.00000 0.00000
|
|
72 12D-2 -0.00025 0.00020 0.00043 0.00000 0.00000
|
|
73 13D 0 0.00013 0.00017 0.00067 0.00000 0.00000
|
|
74 13D+1 0.00000 0.00000 0.00000 0.00000 -0.00011
|
|
75 13D-1 0.00000 0.00000 0.00000 0.00047 0.00021
|
|
76 13D+2 0.00055 -0.00020 0.00089 0.00000 0.00000
|
|
77 13D-2 -0.00022 0.00018 0.00040 0.00000 0.00000
|
|
78 14D 0 0.00000 0.00004 0.00003 0.00000 0.00000
|
|
79 14D+1 0.00000 0.00000 0.00000 -0.00006 -0.00010
|
|
80 14D-1 0.00000 0.00000 0.00000 -0.00015 -0.00024
|
|
81 14D+2 0.00007 -0.00006 0.00006 0.00000 0.00000
|
|
82 14D-2 0.00000 -0.00011 -0.00046 0.00000 0.00000
|
|
83 15F 0 0.00000 0.00000 0.00000 -0.00010 0.00007
|
|
84 15F+1 -0.00002 0.00004 -0.00003 0.00000 0.00000
|
|
85 15F-1 0.00011 0.00001 0.00029 0.00000 0.00000
|
|
86 15F+2 0.00000 0.00000 0.00000 -0.00017 -0.00009
|
|
87 15F-2 0.00000 0.00000 0.00000 0.00003 0.00006
|
|
88 15F+3 0.00009 -0.00011 -0.00024 0.00000 0.00000
|
|
89 15F-3 0.00009 0.00003 0.00026 0.00000 0.00000
|
|
90 16F 0 0.00000 0.00000 0.00000 0.00002 0.00010
|
|
91 16F+1 -0.00001 0.00001 -0.00002 0.00000 0.00000
|
|
92 16F-1 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
93 16F+2 0.00000 0.00000 0.00000 0.00000 -0.00001
|
|
94 16F-2 0.00000 0.00000 0.00000 0.00002 0.00004
|
|
95 16F+3 0.00002 -0.00001 0.00005 0.00000 0.00000
|
|
96 16F-3 -0.00003 0.00000 -0.00004 0.00000 0.00000
|
|
97 3 H 1S 0.00047 -0.00088 -0.00046 0.00000 0.00000
|
|
98 2S 0.00074 -0.00145 -0.00105 0.00000 0.00000
|
|
99 3S 0.00092 -0.00055 0.00058 0.00000 0.00000
|
|
100 4S 0.00017 -0.00004 0.00025 0.00000 0.00000
|
|
101 5PX -0.00002 0.00006 0.00003 0.00000 0.00000
|
|
102 5PY -0.00004 -0.00001 -0.00009 0.00000 0.00000
|
|
103 5PZ 0.00000 0.00000 0.00000 -0.00003 -0.00013
|
|
104 6PX 0.00008 0.00002 0.00013 0.00000 0.00000
|
|
105 6PY -0.00012 -0.00002 -0.00026 0.00000 0.00000
|
|
106 6PZ 0.00000 0.00000 0.00000 -0.00010 -0.00046
|
|
107 7PX -0.00007 -0.00008 -0.00029 0.00000 0.00000
|
|
108 7PY 0.00006 0.00009 0.00055 0.00000 0.00000
|
|
109 7PZ 0.00000 0.00000 0.00000 -0.00011 -0.00029
|
|
110 8D 0 0.00001 0.00001 0.00002 0.00000 0.00000
|
|
111 8D+1 0.00000 0.00000 0.00000 0.00001 0.00006
|
|
112 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
113 8D+2 0.00000 -0.00001 -0.00001 0.00000 0.00000
|
|
114 8D-2 0.00003 0.00000 0.00006 0.00000 0.00000
|
|
115 9D 0 0.00000 -0.00001 -0.00003 0.00000 0.00000
|
|
116 9D+1 0.00000 0.00000 0.00000 0.00002 0.00008
|
|
117 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
118 9D+2 -0.00003 0.00002 -0.00004 0.00000 0.00000
|
|
119 9D-2 0.00002 -0.00002 -0.00001 0.00000 0.00000
|
|
120 4 H 1S 0.00251 -0.00150 -0.00364 0.00000 0.00000
|
|
121 2S 0.00292 -0.00192 -0.00521 0.00000 0.00000
|
|
122 3S 0.00003 0.00035 0.00278 0.00000 0.00000
|
|
123 4S -0.00018 0.00010 0.00008 0.00000 0.00000
|
|
124 5PX 0.00021 -0.00011 -0.00024 0.00000 0.00000
|
|
125 5PY -0.00002 0.00005 0.00026 0.00000 0.00000
|
|
126 5PZ 0.00000 0.00000 0.00000 0.00016 0.00009
|
|
127 6PX 0.00001 0.00001 0.00003 0.00000 0.00000
|
|
128 6PY 0.00024 0.00003 0.00059 0.00000 0.00000
|
|
129 6PZ 0.00000 0.00000 0.00000 0.00040 0.00022
|
|
130 7PX -0.00028 0.00023 0.00095 0.00000 0.00000
|
|
131 7PY 0.00012 -0.00007 -0.00016 0.00000 0.00000
|
|
132 7PZ 0.00000 0.00000 0.00000 0.00000 -0.00009
|
|
133 8D 0 -0.00002 0.00001 0.00004 0.00000 0.00000
|
|
134 8D+1 0.00000 0.00000 0.00000 0.00007 0.00004
|
|
135 8D-1 0.00000 0.00000 0.00000 -0.00001 0.00000
|
|
136 8D+2 0.00005 -0.00002 0.00001 0.00000 0.00000
|
|
137 8D-2 0.00001 0.00002 0.00012 0.00000 0.00000
|
|
138 9D 0 0.00004 -0.00001 -0.00001 0.00000 0.00000
|
|
139 9D+1 0.00000 0.00000 0.00000 0.00005 0.00002
|
|
140 9D-1 0.00000 0.00000 0.00000 -0.00001 0.00001
|
|
141 9D+2 0.00001 0.00001 0.00011 0.00000 0.00000
|
|
142 9D-2 0.00007 -0.00001 0.00004 0.00000 0.00000
|
|
143 5 H 1S 0.00021 0.00085 0.00425 0.00484 0.00300
|
|
144 2S -0.00021 0.00116 0.00484 0.00642 0.00416
|
|
145 3S -0.00034 -0.00007 -0.00170 -0.00035 0.00181
|
|
146 4S -0.00002 -0.00002 -0.00019 -0.00019 0.00002
|
|
147 5PX -0.00006 0.00000 -0.00006 -0.00023 -0.00013
|
|
148 5PY 0.00005 -0.00003 -0.00004 -0.00019 -0.00009
|
|
149 5PZ -0.00002 -0.00008 -0.00038 -0.00028 -0.00016
|
|
150 6PX -0.00011 0.00010 0.00032 -0.00021 -0.00013
|
|
151 6PY 0.00028 0.00001 0.00058 -0.00006 0.00001
|
|
152 6PZ 0.00006 -0.00007 -0.00020 0.00012 0.00006
|
|
153 7PX 0.00008 0.00009 0.00069 0.00030 0.00002
|
|
154 7PY 0.00001 0.00007 0.00040 0.00027 0.00009
|
|
155 7PZ 0.00011 0.00007 0.00063 0.00054 0.00001
|
|
156 8D 0 0.00001 0.00002 0.00011 0.00001 0.00001
|
|
157 8D+1 0.00002 0.00000 0.00003 0.00006 0.00004
|
|
158 8D-1 -0.00003 0.00001 0.00000 0.00005 0.00003
|
|
159 8D+2 0.00003 -0.00001 0.00003 0.00001 0.00001
|
|
160 8D-2 -0.00001 0.00000 -0.00002 0.00004 0.00002
|
|
161 9D 0 0.00000 0.00001 0.00007 -0.00006 -0.00003
|
|
162 9D+1 0.00000 -0.00002 -0.00007 -0.00004 -0.00001
|
|
163 9D-1 -0.00004 -0.00001 -0.00011 -0.00006 -0.00003
|
|
164 9D+2 0.00005 0.00000 0.00007 0.00003 0.00002
|
|
165 9D-2 -0.00002 -0.00002 -0.00011 -0.00002 -0.00002
|
|
166 6 H 1S 0.00021 0.00085 0.00425 -0.00484 -0.00300
|
|
167 2S -0.00021 0.00116 0.00484 -0.00642 -0.00416
|
|
168 3S -0.00034 -0.00007 -0.00170 0.00035 -0.00181
|
|
169 4S -0.00002 -0.00002 -0.00019 0.00019 -0.00002
|
|
170 5PX -0.00006 0.00000 -0.00006 0.00023 0.00013
|
|
171 5PY 0.00005 -0.00003 -0.00004 0.00019 0.00009
|
|
172 5PZ 0.00002 0.00008 0.00038 -0.00028 -0.00016
|
|
173 6PX -0.00011 0.00010 0.00032 0.00021 0.00013
|
|
174 6PY 0.00028 0.00001 0.00058 0.00006 -0.00001
|
|
175 6PZ -0.00006 0.00007 0.00020 0.00012 0.00006
|
|
176 7PX 0.00008 0.00009 0.00069 -0.00030 -0.00002
|
|
177 7PY 0.00001 0.00007 0.00040 -0.00027 -0.00009
|
|
178 7PZ -0.00011 -0.00007 -0.00063 0.00054 0.00001
|
|
179 8D 0 0.00001 0.00002 0.00011 -0.00001 -0.00001
|
|
180 8D+1 -0.00002 0.00000 -0.00003 0.00006 0.00004
|
|
181 8D-1 0.00003 -0.00001 0.00000 0.00005 0.00003
|
|
182 8D+2 0.00003 -0.00001 0.00003 -0.00001 -0.00001
|
|
183 8D-2 -0.00001 0.00000 -0.00002 -0.00004 -0.00002
|
|
184 9D 0 0.00000 0.00001 0.00007 0.00006 0.00003
|
|
185 9D+1 0.00000 0.00002 0.00007 -0.00004 -0.00001
|
|
186 9D-1 0.00004 0.00001 0.00011 -0.00006 -0.00003
|
|
187 9D+2 0.00005 0.00000 0.00007 -0.00003 -0.00002
|
|
188 9D-2 -0.00002 -0.00002 -0.00011 0.00002 0.00002
|
|
26 27 28 29 30
|
|
26 11D+2 0.00279
|
|
27 11D-2 -0.00011 0.00031
|
|
28 12D 0 0.00027 0.00031 0.00114
|
|
29 12D+1 0.00000 0.00000 0.00000 0.00045
|
|
30 12D-1 0.00000 0.00000 0.00000 0.00040 0.00037
|
|
31 12D+2 0.00082 -0.00015 -0.00030 0.00000 0.00000
|
|
32 12D-2 0.00016 0.00006 0.00050 0.00000 0.00000
|
|
33 13F 0 0.00000 0.00000 0.00000 -0.00002 -0.00002
|
|
34 13F+1 0.00010 0.00002 0.00002 0.00000 0.00000
|
|
35 13F-1 -0.00015 0.00000 -0.00003 0.00000 0.00000
|
|
36 13F+2 0.00000 0.00000 0.00000 -0.00002 -0.00003
|
|
37 13F-2 0.00000 0.00000 0.00000 0.00003 0.00003
|
|
38 13F+3 -0.00003 0.00003 -0.00003 0.00000 0.00000
|
|
39 13F-3 -0.00017 -0.00001 -0.00009 0.00000 0.00000
|
|
40 14F 0 0.00000 0.00000 0.00000 -0.00004 -0.00004
|
|
41 14F+1 0.00072 0.00001 0.00018 0.00000 0.00000
|
|
42 14F-1 -0.00007 0.00003 0.00002 0.00000 0.00000
|
|
43 14F+2 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
44 14F-2 0.00000 0.00000 0.00000 0.00007 0.00006
|
|
45 14F+3 -0.00018 0.00002 0.00000 0.00000 0.00000
|
|
46 14F-3 -0.00003 -0.00005 -0.00007 0.00000 0.00000
|
|
47 2 S 1S -0.00152 0.00017 0.00004 0.00000 0.00000
|
|
48 2S 0.00586 -0.00065 0.00003 0.00000 0.00000
|
|
49 3S -0.01046 0.00133 -0.00094 0.00000 0.00000
|
|
50 4S -0.00117 0.00031 -0.00008 0.00000 0.00000
|
|
51 5S -0.00325 0.00231 0.00150 0.00000 0.00000
|
|
52 6S 0.00122 0.00044 0.00093 0.00000 0.00000
|
|
53 7PX -0.00009 0.00174 0.00125 0.00000 0.00000
|
|
54 7PY 0.00768 0.00035 0.00258 0.00000 0.00000
|
|
55 7PZ 0.00000 0.00000 0.00000 0.00237 -0.00031
|
|
56 8PX 0.00197 -0.00574 0.00088 0.00000 0.00000
|
|
57 8PY -0.01422 -0.00202 -0.00716 0.00000 0.00000
|
|
58 8PZ 0.00000 0.00000 0.00000 0.00148 0.00254
|
|
59 9PX 0.00068 -0.00244 0.00038 0.00000 0.00000
|
|
60 9PY -0.00581 -0.00089 -0.00304 0.00000 0.00000
|
|
61 9PZ 0.00000 0.00000 0.00000 0.00079 0.00109
|
|
62 10PX 0.00078 -0.00340 -0.00082 0.00000 0.00000
|
|
63 10PY -0.00575 -0.00127 -0.00317 0.00000 0.00000
|
|
64 10PZ 0.00000 0.00000 0.00000 0.00037 0.00122
|
|
65 11PX -0.00024 -0.00008 -0.00023 0.00000 0.00000
|
|
66 11PY 0.00016 -0.00013 -0.00001 0.00000 0.00000
|
|
67 11PZ 0.00000 0.00000 0.00000 -0.00008 0.00002
|
|
68 12D 0 0.00039 0.00045 0.00032 0.00000 0.00000
|
|
69 12D+1 0.00000 0.00000 0.00000 0.00003 0.00004
|
|
70 12D-1 0.00000 0.00000 0.00000 0.00034 0.00031
|
|
71 12D+2 0.00193 -0.00047 0.00081 0.00000 0.00000
|
|
72 12D-2 -0.00069 0.00025 0.00037 0.00000 0.00000
|
|
73 13D 0 0.00055 0.00044 0.00035 0.00000 0.00000
|
|
74 13D+1 0.00000 0.00000 0.00000 0.00003 0.00004
|
|
75 13D-1 0.00000 0.00000 0.00000 0.00031 0.00028
|
|
76 13D+2 0.00181 -0.00046 0.00077 0.00000 0.00000
|
|
77 13D-2 -0.00059 0.00025 0.00032 0.00000 0.00000
|
|
78 14D 0 0.00003 0.00014 0.00001 0.00000 0.00000
|
|
79 14D+1 0.00000 0.00000 0.00000 -0.00002 -0.00001
|
|
80 14D-1 0.00000 0.00000 0.00000 -0.00005 -0.00003
|
|
81 14D+2 0.00023 -0.00014 0.00009 0.00000 0.00000
|
|
82 14D-2 -0.00009 -0.00018 -0.00034 0.00000 0.00000
|
|
83 15F 0 0.00000 0.00000 0.00000 -0.00009 -0.00010
|
|
84 15F+1 -0.00006 0.00014 -0.00008 0.00000 0.00000
|
|
85 15F-1 0.00039 0.00003 0.00020 0.00000 0.00000
|
|
86 15F+2 0.00000 0.00000 0.00000 -0.00010 -0.00009
|
|
87 15F-2 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
88 15F+3 0.00021 -0.00020 -0.00015 0.00000 0.00000
|
|
89 15F-3 0.00033 0.00009 0.00014 0.00000 0.00000
|
|
90 16F 0 0.00000 0.00000 0.00000 -0.00001 -0.00002
|
|
91 16F+1 -0.00003 0.00002 -0.00002 0.00000 0.00000
|
|
92 16F-1 0.00002 0.00002 0.00000 0.00000 0.00000
|
|
93 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
94 16F-2 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
95 16F+3 0.00008 -0.00001 0.00004 0.00000 0.00000
|
|
96 16F-3 -0.00009 -0.00002 -0.00001 0.00000 0.00000
|
|
97 3 H 1S 0.00110 -0.00231 0.00056 0.00000 0.00000
|
|
98 2S 0.00169 -0.00375 0.00056 0.00000 0.00000
|
|
99 3S 0.00271 -0.00121 0.00061 0.00000 0.00000
|
|
100 4S 0.00054 -0.00009 0.00018 0.00000 0.00000
|
|
101 5PX -0.00002 0.00016 -0.00006 0.00000 0.00000
|
|
102 5PY -0.00015 -0.00004 -0.00005 0.00000 0.00000
|
|
103 5PZ 0.00000 0.00000 0.00000 0.00001 0.00003
|
|
104 6PX 0.00027 0.00009 0.00000 0.00000 0.00000
|
|
105 6PY -0.00040 -0.00007 -0.00016 0.00000 0.00000
|
|
106 6PZ 0.00000 0.00000 0.00000 0.00004 0.00008
|
|
107 7PX -0.00029 -0.00022 -0.00012 0.00000 0.00000
|
|
108 7PY 0.00026 0.00014 0.00039 0.00000 0.00000
|
|
109 7PZ 0.00000 0.00000 0.00000 -0.00001 0.00002
|
|
110 8D 0 0.00004 0.00002 0.00000 0.00000 0.00000
|
|
111 8D+1 0.00000 0.00000 0.00000 -0.00001 -0.00001
|
|
112 8D-1 0.00000 0.00000 0.00000 0.00001 0.00001
|
|
113 8D+2 -0.00001 -0.00003 0.00001 0.00000 0.00000
|
|
114 8D-2 0.00010 0.00002 0.00004 0.00000 0.00000
|
|
115 9D 0 -0.00001 -0.00002 -0.00001 0.00000 0.00000
|
|
116 9D+1 0.00000 0.00000 0.00000 0.00000 -0.00001
|
|
117 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
118 9D+2 -0.00008 0.00007 -0.00005 0.00000 0.00000
|
|
119 9D-2 0.00007 -0.00003 0.00000 0.00000 0.00000
|
|
120 4 H 1S 0.00655 -0.00149 -0.00345 0.00000 0.00000
|
|
121 2S 0.00745 -0.00197 -0.00472 0.00000 0.00000
|
|
122 3S 0.00041 0.00010 0.00233 0.00000 0.00000
|
|
123 4S -0.00052 0.00014 0.00008 0.00000 0.00000
|
|
124 5PX 0.00056 -0.00010 -0.00024 0.00000 0.00000
|
|
125 5PY 0.00000 0.00005 0.00021 0.00000 0.00000
|
|
126 5PZ 0.00000 0.00000 0.00000 0.00010 0.00009
|
|
127 6PX 0.00002 0.00001 0.00002 0.00000 0.00000
|
|
128 6PY 0.00081 0.00008 0.00037 0.00000 0.00000
|
|
129 6PZ 0.00000 0.00000 0.00000 0.00025 0.00023
|
|
130 7PX -0.00068 0.00017 0.00085 0.00000 0.00000
|
|
131 7PY 0.00032 -0.00006 -0.00018 0.00000 0.00000
|
|
132 7PZ 0.00000 0.00000 0.00000 0.00003 0.00003
|
|
133 8D 0 -0.00004 0.00001 0.00003 0.00000 0.00000
|
|
134 8D+1 0.00000 0.00000 0.00000 0.00004 0.00004
|
|
135 8D-1 0.00000 0.00000 0.00000 -0.00001 -0.00001
|
|
136 8D+2 0.00016 -0.00001 -0.00001 0.00000 0.00000
|
|
137 8D-2 0.00005 0.00002 0.00009 0.00000 0.00000
|
|
138 9D 0 0.00009 0.00000 -0.00001 0.00000 0.00000
|
|
139 9D+1 0.00000 0.00000 0.00000 0.00003 0.00003
|
|
140 9D-1 0.00000 0.00000 0.00000 -0.00001 -0.00001
|
|
141 9D+2 0.00006 0.00000 0.00009 0.00000 0.00000
|
|
142 9D-2 0.00019 0.00001 0.00000 0.00000 0.00000
|
|
143 5 H 1S 0.00082 0.00115 0.00329 0.00292 0.00259
|
|
144 2S -0.00045 0.00151 0.00389 0.00382 0.00337
|
|
145 3S -0.00124 0.00012 -0.00132 -0.00077 -0.00089
|
|
146 4S -0.00009 -0.00002 -0.00014 -0.00015 -0.00015
|
|
147 5PX -0.00016 -0.00001 -0.00004 -0.00014 -0.00013
|
|
148 5PY 0.00016 -0.00002 -0.00005 -0.00012 -0.00011
|
|
149 5PZ -0.00007 -0.00010 -0.00030 -0.00017 -0.00015
|
|
150 6PX -0.00029 0.00010 0.00028 -0.00013 -0.00011
|
|
151 6PY 0.00095 0.00007 0.00037 -0.00005 -0.00005
|
|
152 6PZ 0.00017 -0.00008 -0.00018 0.00008 0.00007
|
|
153 7PX 0.00032 0.00010 0.00054 0.00023 0.00022
|
|
154 7PY 0.00006 0.00008 0.00031 0.00019 0.00017
|
|
155 7PZ 0.00037 0.00008 0.00047 0.00041 0.00040
|
|
156 8D 0 0.00003 0.00003 0.00009 0.00000 0.00000
|
|
157 8D+1 0.00006 0.00001 0.00002 0.00004 0.00003
|
|
158 8D-1 -0.00009 0.00001 0.00001 0.00003 0.00003
|
|
159 8D+2 0.00009 0.00000 0.00001 0.00001 0.00001
|
|
160 8D-2 -0.00003 0.00000 -0.00002 0.00003 0.00003
|
|
161 9D 0 0.00003 0.00001 0.00005 -0.00004 -0.00003
|
|
162 9D+1 0.00001 -0.00002 -0.00006 -0.00002 -0.00002
|
|
163 9D-1 -0.00012 -0.00003 -0.00007 -0.00003 -0.00003
|
|
164 9D+2 0.00015 0.00001 0.00004 0.00002 0.00002
|
|
165 9D-2 -0.00006 -0.00002 -0.00008 -0.00001 -0.00001
|
|
166 6 H 1S 0.00082 0.00115 0.00329 -0.00292 -0.00259
|
|
167 2S -0.00045 0.00151 0.00389 -0.00382 -0.00337
|
|
168 3S -0.00124 0.00012 -0.00132 0.00077 0.00089
|
|
169 4S -0.00009 -0.00002 -0.00014 0.00015 0.00015
|
|
170 5PX -0.00016 -0.00001 -0.00004 0.00014 0.00013
|
|
171 5PY 0.00016 -0.00002 -0.00005 0.00012 0.00011
|
|
172 5PZ 0.00007 0.00010 0.00030 -0.00017 -0.00015
|
|
173 6PX -0.00029 0.00010 0.00028 0.00013 0.00011
|
|
174 6PY 0.00095 0.00007 0.00037 0.00005 0.00005
|
|
175 6PZ -0.00017 0.00008 0.00018 0.00008 0.00007
|
|
176 7PX 0.00032 0.00010 0.00054 -0.00023 -0.00022
|
|
177 7PY 0.00006 0.00008 0.00031 -0.00019 -0.00017
|
|
178 7PZ -0.00037 -0.00008 -0.00047 0.00041 0.00040
|
|
179 8D 0 0.00003 0.00003 0.00009 0.00000 0.00000
|
|
180 8D+1 -0.00006 -0.00001 -0.00002 0.00004 0.00003
|
|
181 8D-1 0.00009 -0.00001 -0.00001 0.00003 0.00003
|
|
182 8D+2 0.00009 0.00000 0.00001 -0.00001 -0.00001
|
|
183 8D-2 -0.00003 0.00000 -0.00002 -0.00003 -0.00003
|
|
184 9D 0 0.00003 0.00001 0.00005 0.00004 0.00003
|
|
185 9D+1 -0.00001 0.00002 0.00006 -0.00002 -0.00002
|
|
186 9D-1 0.00012 0.00003 0.00007 -0.00003 -0.00003
|
|
187 9D+2 0.00015 0.00001 0.00004 -0.00002 -0.00002
|
|
188 9D-2 -0.00006 -0.00002 -0.00008 0.00001 0.00001
|
|
31 32 33 34 35
|
|
31 12D+2 0.00041
|
|
32 12D-2 -0.00013 0.00029
|
|
33 13F 0 0.00000 0.00000 0.00000
|
|
34 13F+1 0.00005 0.00000 0.00000 0.00002
|
|
35 13F-1 -0.00002 -0.00002 0.00000 0.00001 0.00003
|
|
36 13F+2 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
37 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
38 13F+3 -0.00001 -0.00002 0.00000 -0.00001 -0.00001
|
|
39 13F-3 0.00000 -0.00005 0.00000 0.00001 0.00003
|
|
40 14F 0 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
41 14F+1 0.00017 0.00008 0.00000 0.00002 -0.00004
|
|
42 14F-1 -0.00003 0.00001 0.00000 0.00000 0.00001
|
|
43 14F+2 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
44 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
45 14F+3 -0.00005 -0.00002 0.00000 -0.00001 0.00001
|
|
46 14F-3 0.00001 -0.00004 0.00000 -0.00001 -0.00001
|
|
47 2 S 1S -0.00029 -0.00071 0.00000 -0.00002 0.00012
|
|
48 2S 0.00107 0.00264 0.00000 0.00007 -0.00046
|
|
49 3S -0.00174 -0.00460 0.00000 -0.00007 0.00081
|
|
50 4S -0.00023 -0.00056 0.00000 -0.00001 0.00007
|
|
51 5S -0.00076 -0.00254 0.00000 0.00012 0.00025
|
|
52 6S 0.00012 0.00040 0.00000 0.00013 -0.00002
|
|
53 7PX -0.00109 -0.00088 0.00000 0.00018 -0.00002
|
|
54 7PY 0.00043 0.00045 0.00000 0.00012 -0.00073
|
|
55 7PZ 0.00000 0.00000 0.00058 0.00000 0.00000
|
|
56 8PX 0.00080 0.00259 0.00000 -0.00028 -0.00001
|
|
57 8PY -0.00185 -0.00182 0.00000 -0.00007 0.00138
|
|
58 8PZ 0.00000 0.00000 -0.00112 0.00000 0.00000
|
|
59 9PX 0.00025 0.00105 0.00000 -0.00011 0.00001
|
|
60 9PY -0.00081 -0.00078 0.00000 -0.00004 0.00055
|
|
61 9PZ 0.00000 0.00000 -0.00046 0.00000 0.00000
|
|
62 10PX 0.00072 0.00103 0.00000 -0.00015 0.00004
|
|
63 10PY -0.00064 -0.00055 0.00000 -0.00003 0.00059
|
|
64 10PZ 0.00000 0.00000 -0.00081 0.00000 0.00000
|
|
65 11PX -0.00001 -0.00006 0.00000 -0.00001 0.00002
|
|
66 11PY 0.00006 0.00010 0.00000 0.00001 0.00000
|
|
67 11PZ 0.00000 0.00000 -0.00008 0.00000 0.00000
|
|
68 12D 0 -0.00007 -0.00001 0.00000 -0.00001 -0.00008
|
|
69 12D+1 0.00000 0.00000 -0.00001 0.00000 0.00000
|
|
70 12D-1 0.00000 0.00000 -0.00001 0.00000 0.00000
|
|
71 12D+2 0.00032 0.00043 0.00000 -0.00007 -0.00021
|
|
72 12D-2 -0.00036 0.00015 0.00000 -0.00001 0.00004
|
|
73 13D 0 -0.00002 0.00003 0.00000 0.00000 -0.00008
|
|
74 13D+1 0.00000 0.00000 -0.00001 0.00000 0.00000
|
|
75 13D-1 0.00000 0.00000 -0.00001 0.00000 0.00000
|
|
76 13D+2 0.00032 0.00041 0.00000 -0.00005 -0.00018
|
|
77 13D-2 -0.00032 0.00014 0.00000 0.00000 0.00003
|
|
78 14D 0 0.00000 -0.00011 0.00000 0.00000 -0.00001
|
|
79 14D+1 0.00000 0.00000 -0.00001 0.00000 0.00000
|
|
80 14D-1 0.00000 0.00000 -0.00001 0.00000 0.00000
|
|
81 14D+2 0.00003 0.00007 0.00000 -0.00002 -0.00003
|
|
82 14D-2 0.00009 -0.00010 0.00000 -0.00001 0.00001
|
|
83 15F 0 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
84 15F+1 -0.00001 -0.00007 0.00000 0.00001 0.00000
|
|
85 15F-1 0.00004 0.00008 0.00000 -0.00001 -0.00004
|
|
86 15F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
87 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
88 15F+3 0.00014 -0.00005 0.00000 0.00000 -0.00001
|
|
89 15F-3 0.00003 0.00005 0.00000 0.00000 -0.00004
|
|
90 16F 0 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
91 16F+1 0.00000 -0.00002 0.00000 0.00000 0.00000
|
|
92 16F-1 0.00000 -0.00001 0.00000 0.00000 -0.00001
|
|
93 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
94 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
95 16F+3 0.00001 0.00002 0.00000 0.00000 -0.00001
|
|
96 16F-3 -0.00003 -0.00001 0.00000 -0.00001 0.00000
|
|
97 3 H 1S 0.00051 0.00058 0.00000 -0.00012 -0.00004
|
|
98 2S 0.00087 0.00093 0.00000 -0.00018 -0.00004
|
|
99 3S 0.00079 0.00062 0.00000 0.00001 -0.00015
|
|
100 4S 0.00013 0.00012 0.00000 0.00002 -0.00003
|
|
101 5PX -0.00002 -0.00003 0.00000 0.00001 0.00000
|
|
102 5PY -0.00003 0.00000 0.00000 0.00000 0.00001
|
|
103 5PZ 0.00000 0.00000 -0.00001 0.00000 0.00000
|
|
104 6PX 0.00005 0.00004 0.00000 0.00001 -0.00002
|
|
105 6PY -0.00007 -0.00003 0.00000 0.00000 0.00004
|
|
106 6PZ 0.00000 0.00000 -0.00004 0.00000 0.00000
|
|
107 7PX -0.00002 -0.00001 0.00000 -0.00002 0.00003
|
|
108 7PY -0.00006 0.00018 0.00000 0.00001 -0.00002
|
|
109 7PZ 0.00000 0.00000 -0.00002 0.00000 0.00000
|
|
110 8D 0 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
111 8D+1 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
112 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
113 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
114 8D-2 0.00002 0.00001 0.00000 0.00000 -0.00001
|
|
115 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
116 9D+1 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
117 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
118 9D+2 -0.00002 -0.00005 0.00000 0.00000 0.00000
|
|
119 9D-2 0.00003 0.00000 0.00000 0.00000 -0.00001
|
|
120 4 H 1S 0.00380 -0.00158 0.00000 0.00053 0.00003
|
|
121 2S 0.00466 -0.00218 0.00000 0.00063 0.00008
|
|
122 3S -0.00064 0.00129 0.00000 0.00000 -0.00004
|
|
123 4S -0.00021 0.00003 0.00000 -0.00001 0.00003
|
|
124 5PX 0.00031 -0.00012 0.00000 0.00005 0.00001
|
|
125 5PY -0.00008 0.00009 0.00000 -0.00001 -0.00001
|
|
126 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
127 6PX 0.00002 0.00000 0.00000 0.00002 0.00002
|
|
128 6PY 0.00012 0.00017 0.00000 0.00003 -0.00006
|
|
129 6PZ 0.00000 0.00000 -0.00001 0.00000 0.00000
|
|
130 7PX -0.00055 0.00045 0.00000 -0.00006 0.00000
|
|
131 7PY 0.00018 -0.00006 0.00000 0.00003 0.00000
|
|
132 7PZ 0.00000 0.00000 -0.00001 0.00000 0.00000
|
|
133 8D 0 -0.00003 0.00002 0.00000 -0.00001 0.00000
|
|
134 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
135 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
136 8D+2 0.00006 0.00000 0.00000 0.00001 0.00000
|
|
137 8D-2 -0.00002 0.00004 0.00000 0.00000 -0.00001
|
|
138 9D 0 0.00005 -0.00001 0.00000 0.00002 0.00001
|
|
139 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
140 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
141 9D+2 -0.00003 0.00004 0.00000 -0.00001 -0.00002
|
|
142 9D-2 0.00007 0.00000 0.00000 0.00002 0.00000
|
|
143 5 H 1S -0.00043 0.00138 -0.00004 0.00044 0.00028
|
|
144 2S -0.00093 0.00157 -0.00003 0.00051 0.00043
|
|
145 3S 0.00006 -0.00082 0.00021 -0.00002 0.00009
|
|
146 4S 0.00002 -0.00009 0.00002 -0.00001 0.00000
|
|
147 5PX -0.00006 -0.00001 0.00000 -0.00002 -0.00001
|
|
148 5PY 0.00005 -0.00003 0.00000 -0.00001 -0.00002
|
|
149 5PZ 0.00004 -0.00013 0.00000 -0.00004 -0.00002
|
|
150 6PX -0.00020 0.00013 0.00000 -0.00001 0.00001
|
|
151 6PY 0.00017 0.00014 0.00001 0.00002 -0.00007
|
|
152 6PZ 0.00009 -0.00007 0.00000 -0.00002 -0.00003
|
|
153 7PX -0.00006 0.00024 -0.00002 0.00002 -0.00001
|
|
154 7PY -0.00007 0.00015 -0.00001 0.00003 0.00001
|
|
155 7PZ 0.00000 0.00024 -0.00004 0.00005 0.00001
|
|
156 8D 0 -0.00001 0.00004 0.00000 0.00001 0.00000
|
|
157 8D+1 0.00002 0.00001 0.00000 0.00001 0.00000
|
|
158 8D-1 -0.00003 0.00001 0.00000 0.00000 0.00001
|
|
159 8D+2 0.00003 0.00000 0.00000 0.00000 -0.00001
|
|
160 8D-2 0.00000 -0.00001 0.00000 0.00000 0.00000
|
|
161 9D 0 -0.00002 0.00002 0.00000 -0.00001 -0.00001
|
|
162 9D+1 0.00001 -0.00002 0.00000 -0.00001 -0.00001
|
|
163 9D-1 -0.00003 -0.00003 0.00000 -0.00001 0.00000
|
|
164 9D+2 0.00003 0.00001 0.00000 0.00000 -0.00001
|
|
165 9D-2 0.00000 -0.00003 0.00000 -0.00001 0.00000
|
|
166 6 H 1S -0.00043 0.00138 0.00004 0.00044 0.00028
|
|
167 2S -0.00093 0.00157 0.00003 0.00051 0.00043
|
|
168 3S 0.00006 -0.00082 -0.00021 -0.00002 0.00009
|
|
169 4S 0.00002 -0.00009 -0.00002 -0.00001 0.00000
|
|
170 5PX -0.00006 -0.00001 0.00000 -0.00002 -0.00001
|
|
171 5PY 0.00005 -0.00003 0.00000 -0.00001 -0.00002
|
|
172 5PZ -0.00004 0.00013 0.00000 0.00004 0.00002
|
|
173 6PX -0.00020 0.00013 0.00000 -0.00001 0.00001
|
|
174 6PY 0.00017 0.00014 -0.00001 0.00002 -0.00007
|
|
175 6PZ -0.00009 0.00007 0.00000 0.00002 0.00003
|
|
176 7PX -0.00006 0.00024 0.00002 0.00002 -0.00001
|
|
177 7PY -0.00007 0.00015 0.00001 0.00003 0.00001
|
|
178 7PZ 0.00000 -0.00024 -0.00004 -0.00005 -0.00001
|
|
179 8D 0 -0.00001 0.00004 0.00000 0.00001 0.00000
|
|
180 8D+1 -0.00002 -0.00001 0.00000 -0.00001 0.00000
|
|
181 8D-1 0.00003 -0.00001 0.00000 0.00000 -0.00001
|
|
182 8D+2 0.00003 0.00000 0.00000 0.00000 -0.00001
|
|
183 8D-2 0.00000 -0.00001 0.00000 0.00000 0.00000
|
|
184 9D 0 -0.00002 0.00002 0.00000 -0.00001 -0.00001
|
|
185 9D+1 -0.00001 0.00002 0.00000 0.00001 0.00001
|
|
186 9D-1 0.00003 0.00003 0.00000 0.00001 0.00000
|
|
187 9D+2 0.00003 0.00001 0.00000 0.00000 -0.00001
|
|
188 9D-2 0.00000 -0.00003 0.00000 -0.00001 0.00000
|
|
36 37 38 39 40
|
|
36 13F+2 0.00001
|
|
37 13F-2 0.00000 0.00000
|
|
38 13F+3 0.00000 0.00000 0.00001
|
|
39 13F-3 0.00000 0.00000 0.00000 0.00004
|
|
40 14F 0 0.00001 0.00000 0.00000 0.00000 0.00001
|
|
41 14F+1 0.00000 0.00000 -0.00001 -0.00006 0.00000
|
|
42 14F-1 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
43 14F+2 0.00001 0.00000 0.00000 0.00000 0.00001
|
|
44 14F-2 0.00000 0.00001 0.00000 0.00000 0.00000
|
|
45 14F+3 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
46 14F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
47 2 S 1S 0.00000 0.00000 0.00004 0.00013 0.00000
|
|
48 2S 0.00000 0.00000 -0.00016 -0.00050 0.00000
|
|
49 3S 0.00000 0.00000 0.00030 0.00094 0.00000
|
|
50 4S 0.00000 0.00000 0.00007 0.00009 0.00000
|
|
51 5S 0.00000 0.00000 0.00033 0.00024 0.00000
|
|
52 6S 0.00000 0.00000 -0.00001 -0.00006 0.00000
|
|
53 7PX 0.00000 0.00000 0.00051 0.00015 0.00000
|
|
54 7PY 0.00000 0.00000 0.00004 -0.00094 0.00000
|
|
55 7PZ 0.00071 0.00011 0.00000 0.00000 0.00001
|
|
56 8PX 0.00000 0.00000 -0.00107 -0.00026 0.00000
|
|
57 8PY 0.00000 0.00000 -0.00018 0.00183 0.00000
|
|
58 8PZ -0.00139 -0.00014 0.00000 0.00000 -0.00111
|
|
59 9PX 0.00000 0.00000 -0.00044 -0.00008 0.00000
|
|
60 9PY 0.00000 0.00000 -0.00007 0.00074 0.00000
|
|
61 9PZ -0.00057 -0.00006 0.00000 0.00000 -0.00049
|
|
62 10PX 0.00000 0.00000 -0.00055 -0.00002 0.00000
|
|
63 10PY 0.00000 0.00000 -0.00015 0.00078 0.00000
|
|
64 10PZ -0.00101 -0.00016 0.00000 0.00000 -0.00078
|
|
65 11PX 0.00000 0.00000 0.00000 0.00003 0.00000
|
|
66 11PY 0.00000 0.00000 -0.00003 0.00000 0.00000
|
|
67 11PZ -0.00010 -0.00002 0.00000 0.00000 -0.00007
|
|
68 12D 0 0.00000 0.00000 0.00008 -0.00009 0.00000
|
|
69 12D+1 -0.00001 0.00000 0.00000 0.00000 -0.00001
|
|
70 12D-1 -0.00002 0.00002 0.00000 0.00000 -0.00003
|
|
71 12D+2 0.00000 0.00000 -0.00008 -0.00028 0.00000
|
|
72 12D-2 0.00000 0.00000 0.00001 0.00002 0.00000
|
|
73 13D 0 0.00000 0.00000 0.00007 -0.00009 0.00000
|
|
74 13D+1 -0.00001 0.00000 0.00000 0.00000 -0.00001
|
|
75 13D-1 -0.00002 0.00002 0.00000 0.00000 -0.00002
|
|
76 13D+2 0.00000 0.00000 -0.00009 -0.00025 0.00000
|
|
77 13D-2 0.00000 0.00000 0.00001 0.00002 0.00000
|
|
78 14D 0 0.00000 0.00000 0.00003 -0.00001 0.00000
|
|
79 14D+1 -0.00001 0.00000 0.00000 0.00000 -0.00001
|
|
80 14D-1 -0.00002 -0.00001 0.00000 0.00000 -0.00001
|
|
81 14D+2 0.00000 0.00000 -0.00002 -0.00005 0.00000
|
|
82 14D-2 0.00000 0.00000 -0.00001 0.00003 0.00000
|
|
83 15F 0 0.00002 0.00000 0.00000 0.00000 0.00002
|
|
84 15F+1 0.00000 0.00000 0.00003 0.00001 0.00000
|
|
85 15F-1 0.00000 0.00000 0.00000 -0.00006 0.00000
|
|
86 15F+2 0.00000 -0.00001 0.00000 0.00000 0.00001
|
|
87 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
88 15F+3 0.00000 0.00000 -0.00002 -0.00001 0.00000
|
|
89 15F-3 0.00000 0.00000 0.00002 -0.00005 0.00000
|
|
90 16F 0 0.00001 0.00000 0.00000 0.00000 0.00001
|
|
91 16F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
92 16F-1 0.00000 0.00000 0.00000 -0.00001 0.00000
|
|
93 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
94 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
95 16F+3 0.00000 0.00000 0.00000 -0.00001 0.00000
|
|
96 16F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
97 3 H 1S 0.00000 0.00000 -0.00042 -0.00015 0.00000
|
|
98 2S 0.00000 0.00000 -0.00066 -0.00019 0.00000
|
|
99 3S 0.00000 0.00000 -0.00023 -0.00023 0.00000
|
|
100 4S 0.00000 0.00000 -0.00003 -0.00004 0.00000
|
|
101 5PX 0.00000 0.00000 0.00003 0.00001 0.00000
|
|
102 5PY 0.00000 0.00000 -0.00001 0.00001 0.00000
|
|
103 5PZ -0.00001 0.00000 0.00000 0.00000 -0.00001
|
|
104 6PX 0.00000 0.00000 0.00002 -0.00002 0.00000
|
|
105 6PY 0.00000 0.00000 -0.00001 0.00005 0.00000
|
|
106 6PZ -0.00005 -0.00001 0.00000 0.00000 -0.00004
|
|
107 7PX 0.00000 0.00000 -0.00003 0.00003 0.00000
|
|
108 7PY 0.00000 0.00000 0.00000 -0.00005 0.00000
|
|
109 7PZ -0.00003 -0.00001 0.00000 0.00000 -0.00002
|
|
110 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
111 8D+1 0.00001 0.00000 0.00000 0.00000 0.00001
|
|
112 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
113 8D+2 0.00000 0.00000 -0.00001 0.00000 0.00000
|
|
114 8D-2 0.00000 0.00000 0.00000 -0.00001 0.00000
|
|
115 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
116 9D+1 0.00001 0.00000 0.00000 0.00000 0.00001
|
|
117 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
118 9D+2 0.00000 0.00000 0.00002 0.00001 0.00000
|
|
119 9D-2 0.00000 0.00000 0.00000 -0.00001 0.00000
|
|
120 4 H 1S 0.00000 0.00000 -0.00013 0.00025 0.00000
|
|
121 2S 0.00000 0.00000 -0.00016 0.00038 0.00000
|
|
122 3S 0.00000 0.00000 -0.00014 -0.00020 0.00000
|
|
123 4S 0.00000 0.00000 0.00001 0.00003 0.00000
|
|
124 5PX 0.00000 0.00000 -0.00001 0.00002 0.00000
|
|
125 5PY 0.00000 0.00000 0.00000 -0.00003 0.00000
|
|
126 5PZ 0.00000 0.00001 0.00000 0.00000 -0.00001
|
|
127 6PX 0.00000 0.00000 -0.00001 0.00002 0.00000
|
|
128 6PY 0.00000 0.00000 0.00000 -0.00008 0.00000
|
|
129 6PZ -0.00001 0.00002 0.00000 0.00000 -0.00002
|
|
130 7PX 0.00000 0.00000 -0.00002 -0.00006 0.00000
|
|
131 7PY 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
132 7PZ -0.00001 0.00000 0.00000 0.00000 -0.00001
|
|
133 8D 0 0.00000 0.00000 0.00000 -0.00001 0.00000
|
|
134 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
135 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
136 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
137 8D-2 0.00000 0.00000 0.00000 -0.00001 0.00000
|
|
138 9D 0 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
139 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
140 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
141 9D+2 0.00000 0.00000 0.00000 -0.00003 0.00000
|
|
142 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
143 5 H 1S -0.00006 0.00022 -0.00019 0.00012 -0.00016
|
|
144 2S -0.00005 0.00030 -0.00021 0.00025 -0.00019
|
|
145 3S 0.00027 -0.00001 0.00011 0.00018 0.00024
|
|
146 4S 0.00002 -0.00001 0.00001 0.00001 0.00002
|
|
147 5PX 0.00000 -0.00001 0.00001 -0.00001 0.00001
|
|
148 5PY 0.00001 -0.00001 0.00001 -0.00002 0.00001
|
|
149 5PZ 0.00000 -0.00001 0.00002 -0.00001 0.00001
|
|
150 6PX 0.00000 -0.00001 0.00000 -0.00001 0.00001
|
|
151 6PY 0.00001 0.00000 0.00000 -0.00010 0.00001
|
|
152 6PZ 0.00000 0.00001 0.00001 -0.00002 -0.00001
|
|
153 7PX -0.00003 0.00001 -0.00002 -0.00004 -0.00003
|
|
154 7PY -0.00001 0.00001 -0.00002 0.00000 -0.00002
|
|
155 7PZ -0.00005 0.00002 -0.00003 -0.00002 -0.00005
|
|
156 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
157 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
158 8D-1 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
159 8D+2 0.00000 0.00000 0.00000 -0.00001 0.00000
|
|
160 8D-2 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
161 9D 0 0.00000 0.00000 0.00000 -0.00002 0.00000
|
|
162 9D+1 0.00000 0.00000 0.00001 -0.00001 0.00000
|
|
163 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
164 9D+2 0.00000 0.00000 0.00000 -0.00001 0.00000
|
|
165 9D-2 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
166 6 H 1S 0.00006 -0.00022 -0.00019 0.00012 0.00016
|
|
167 2S 0.00005 -0.00030 -0.00021 0.00025 0.00019
|
|
168 3S -0.00027 0.00001 0.00011 0.00018 -0.00024
|
|
169 4S -0.00002 0.00001 0.00001 0.00001 -0.00002
|
|
170 5PX 0.00000 0.00001 0.00001 -0.00001 -0.00001
|
|
171 5PY -0.00001 0.00001 0.00001 -0.00002 -0.00001
|
|
172 5PZ 0.00000 -0.00001 -0.00002 0.00001 0.00001
|
|
173 6PX 0.00000 0.00001 0.00000 -0.00001 -0.00001
|
|
174 6PY -0.00001 0.00000 0.00000 -0.00010 -0.00001
|
|
175 6PZ 0.00000 0.00001 -0.00001 0.00002 -0.00001
|
|
176 7PX 0.00003 -0.00001 -0.00002 -0.00004 0.00003
|
|
177 7PY 0.00001 -0.00001 -0.00002 0.00000 0.00002
|
|
178 7PZ -0.00005 0.00002 0.00003 0.00002 -0.00005
|
|
179 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
180 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
181 8D-1 0.00000 0.00000 0.00000 -0.00001 0.00000
|
|
182 8D+2 0.00000 0.00000 0.00000 -0.00001 0.00000
|
|
183 8D-2 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
184 9D 0 0.00000 0.00000 0.00000 -0.00002 0.00000
|
|
185 9D+1 0.00000 0.00000 -0.00001 0.00001 0.00000
|
|
186 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
187 9D+2 0.00000 0.00000 0.00000 -0.00001 0.00000
|
|
188 9D-2 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
41 42 43 44 45
|
|
41 14F+1 0.00021
|
|
42 14F-1 -0.00002 0.00001
|
|
43 14F+2 0.00000 0.00000 0.00001
|
|
44 14F-2 0.00000 0.00000 0.00001 0.00001
|
|
45 14F+3 -0.00005 0.00000 0.00000 0.00000 0.00002
|
|
46 14F-3 -0.00001 -0.00001 0.00000 0.00000 0.00000
|
|
47 2 S 1S -0.00051 -0.00010 0.00000 0.00000 0.00028
|
|
48 2S 0.00179 0.00026 0.00000 0.00000 -0.00098
|
|
49 3S -0.00228 -0.00044 0.00000 0.00000 0.00148
|
|
50 4S -0.00019 -0.00004 0.00000 0.00000 0.00016
|
|
51 5S -0.00034 -0.00028 0.00000 0.00000 0.00084
|
|
52 6S 0.00038 0.00004 0.00000 0.00000 -0.00007
|
|
53 7PX -0.00031 0.00039 0.00000 0.00000 -0.00102
|
|
54 7PY 0.00462 0.00016 0.00000 0.00000 -0.00113
|
|
55 7PZ 0.00000 0.00000 0.00002 0.00008 0.00000
|
|
56 8PX 0.00032 -0.00059 0.00000 0.00000 -0.00034
|
|
57 8PY -0.00462 0.00048 0.00000 0.00000 0.00056
|
|
58 8PZ 0.00000 0.00000 -0.00174 -0.00040 0.00000
|
|
59 9PX 0.00006 -0.00023 0.00000 0.00000 -0.00021
|
|
60 9PY -0.00173 0.00022 0.00000 0.00000 0.00017
|
|
61 9PZ 0.00000 0.00000 -0.00077 -0.00018 0.00000
|
|
62 10PX -0.00006 -0.00028 0.00000 0.00000 -0.00023
|
|
63 10PY -0.00194 0.00019 0.00000 0.00000 0.00018
|
|
64 10PZ 0.00000 0.00000 -0.00134 -0.00043 0.00000
|
|
65 11PX -0.00009 0.00000 0.00000 0.00000 0.00001
|
|
66 11PY 0.00002 0.00000 0.00000 0.00000 -0.00003
|
|
67 11PZ 0.00000 0.00000 -0.00014 -0.00006 0.00000
|
|
68 12D 0 0.00016 0.00002 0.00000 0.00000 -0.00001
|
|
69 12D+1 0.00000 0.00000 -0.00001 0.00000 0.00000
|
|
70 12D-1 0.00000 0.00000 0.00001 0.00006 0.00000
|
|
71 12D+2 0.00059 -0.00014 0.00000 0.00000 -0.00010
|
|
72 12D-2 -0.00014 0.00005 0.00000 0.00000 0.00005
|
|
73 13D 0 0.00020 0.00002 0.00000 0.00000 -0.00002
|
|
74 13D+1 0.00000 0.00000 -0.00002 0.00000 0.00000
|
|
75 13D-1 0.00000 0.00000 0.00001 0.00005 0.00000
|
|
76 13D+2 0.00054 -0.00013 0.00000 0.00000 -0.00010
|
|
77 13D-2 -0.00012 0.00005 0.00000 0.00000 0.00004
|
|
78 14D 0 0.00003 0.00000 0.00000 0.00000 0.00002
|
|
79 14D+1 0.00000 0.00000 -0.00001 -0.00001 0.00000
|
|
80 14D-1 0.00000 0.00000 -0.00003 -0.00002 0.00000
|
|
81 14D+2 0.00007 -0.00003 0.00000 0.00000 -0.00001
|
|
82 14D-2 -0.00006 -0.00001 0.00000 0.00000 -0.00001
|
|
83 15F 0 0.00000 0.00000 0.00002 -0.00001 0.00000
|
|
84 15F+1 -0.00002 0.00002 0.00000 0.00000 0.00000
|
|
85 15F-1 0.00012 -0.00001 0.00000 0.00000 -0.00002
|
|
86 15F+2 0.00000 0.00000 -0.00001 -0.00002 0.00000
|
|
87 15F-2 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
88 15F+3 0.00004 -0.00003 0.00000 0.00000 -0.00001
|
|
89 15F-3 0.00011 0.00000 0.00000 0.00000 -0.00002
|
|
90 16F 0 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
91 16F+1 -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
92 16F-1 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
93 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
94 16F-2 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
95 16F+3 0.00003 -0.00001 0.00000 0.00000 0.00000
|
|
96 16F-3 -0.00002 0.00000 0.00000 0.00000 0.00001
|
|
97 3 H 1S 0.00029 -0.00037 0.00000 0.00000 -0.00004
|
|
98 2S 0.00039 -0.00056 0.00000 0.00000 -0.00011
|
|
99 3S 0.00071 -0.00021 0.00000 0.00000 -0.00019
|
|
100 4S 0.00015 -0.00002 0.00000 0.00000 -0.00004
|
|
101 5PX -0.00001 0.00003 0.00000 0.00000 -0.00001
|
|
102 5PY -0.00005 0.00000 0.00000 0.00000 0.00001
|
|
103 5PZ 0.00000 0.00000 -0.00002 0.00000 0.00000
|
|
104 6PX 0.00007 0.00002 0.00000 0.00000 -0.00003
|
|
105 6PY -0.00013 0.00001 0.00000 0.00000 0.00001
|
|
106 6PZ 0.00000 0.00000 -0.00007 -0.00002 0.00000
|
|
107 7PX -0.00009 -0.00002 0.00000 0.00000 0.00002
|
|
108 7PY 0.00011 0.00001 0.00000 0.00000 -0.00001
|
|
109 7PZ 0.00000 0.00000 -0.00004 -0.00002 0.00000
|
|
110 8D 0 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
111 8D+1 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
112 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
113 8D+2 0.00000 -0.00001 0.00000 0.00000 0.00000
|
|
114 8D-2 0.00003 0.00000 0.00000 0.00000 -0.00001
|
|
115 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
116 9D+1 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
117 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
118 9D+2 -0.00002 0.00001 0.00000 0.00000 0.00001
|
|
119 9D-2 0.00002 -0.00001 0.00000 0.00000 0.00000
|
|
120 4 H 1S 0.00122 -0.00026 0.00000 0.00000 -0.00045
|
|
121 2S 0.00128 -0.00034 0.00000 0.00000 -0.00050
|
|
122 3S 0.00029 0.00002 0.00000 0.00000 -0.00004
|
|
123 4S -0.00012 0.00003 0.00000 0.00000 0.00003
|
|
124 5PX 0.00011 -0.00002 0.00000 0.00000 -0.00004
|
|
125 5PY 0.00002 0.00000 0.00000 0.00000 0.00000
|
|
126 5PZ 0.00000 0.00000 0.00001 0.00002 0.00000
|
|
127 6PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
128 6PY 0.00025 -0.00001 0.00000 0.00000 -0.00005
|
|
129 6PZ 0.00000 0.00000 0.00001 0.00004 0.00000
|
|
130 7PX -0.00009 0.00004 0.00000 0.00000 0.00004
|
|
131 7PY 0.00006 -0.00001 0.00000 0.00000 -0.00003
|
|
132 7PZ 0.00000 0.00000 -0.00001 0.00000 0.00000
|
|
133 8D 0 -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
134 8D+1 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
135 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
136 8D+2 0.00004 0.00000 0.00000 0.00000 -0.00001
|
|
137 8D-2 0.00002 0.00000 0.00000 0.00000 0.00000
|
|
138 9D 0 0.00002 0.00000 0.00000 0.00000 0.00000
|
|
139 9D+1 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
140 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
141 9D+2 0.00003 0.00000 0.00000 0.00000 0.00000
|
|
142 9D-2 0.00005 0.00000 0.00000 0.00000 -0.00001
|
|
143 5 H 1S 0.00045 0.00016 0.00022 0.00052 -0.00001
|
|
144 2S 0.00017 0.00024 0.00032 0.00070 0.00009
|
|
145 3S -0.00042 0.00002 0.00030 0.00000 0.00011
|
|
146 4S -0.00003 -0.00001 0.00001 -0.00002 0.00001
|
|
147 5PX -0.00004 0.00000 -0.00001 -0.00002 0.00001
|
|
148 5PY 0.00004 -0.00001 0.00000 -0.00002 -0.00001
|
|
149 5PZ -0.00004 -0.00001 -0.00001 -0.00003 0.00000
|
|
150 6PX -0.00004 0.00002 -0.00001 -0.00002 0.00002
|
|
151 6PY 0.00028 -0.00002 0.00000 -0.00001 -0.00005
|
|
152 6PZ 0.00003 -0.00002 0.00000 0.00001 -0.00001
|
|
153 7PX 0.00013 0.00000 -0.00001 0.00003 -0.00001
|
|
154 7PY 0.00004 0.00001 0.00000 0.00003 0.00000
|
|
155 7PZ 0.00013 0.00001 -0.00003 0.00005 -0.00002
|
|
156 8D 0 0.00002 0.00000 0.00000 0.00000 0.00000
|
|
157 8D+1 0.00002 0.00000 0.00000 0.00001 0.00000
|
|
158 8D-1 -0.00002 0.00000 0.00000 0.00001 0.00001
|
|
159 8D+2 0.00003 0.00000 0.00000 0.00000 -0.00001
|
|
160 8D-2 -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
161 9D 0 0.00002 0.00000 0.00000 -0.00001 0.00000
|
|
162 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
163 9D-1 -0.00004 0.00000 0.00000 -0.00001 0.00001
|
|
164 9D+2 0.00004 0.00000 0.00000 0.00000 -0.00001
|
|
165 9D-2 -0.00002 0.00000 0.00000 0.00000 0.00000
|
|
166 6 H 1S 0.00045 0.00016 -0.00022 -0.00052 -0.00001
|
|
167 2S 0.00017 0.00024 -0.00032 -0.00070 0.00009
|
|
168 3S -0.00042 0.00002 -0.00030 0.00000 0.00011
|
|
169 4S -0.00003 -0.00001 -0.00001 0.00002 0.00001
|
|
170 5PX -0.00004 0.00000 0.00001 0.00002 0.00001
|
|
171 5PY 0.00004 -0.00001 0.00000 0.00002 -0.00001
|
|
172 5PZ 0.00004 0.00001 -0.00001 -0.00003 0.00000
|
|
173 6PX -0.00004 0.00002 0.00001 0.00002 0.00002
|
|
174 6PY 0.00028 -0.00002 0.00000 0.00001 -0.00005
|
|
175 6PZ -0.00003 0.00002 0.00000 0.00001 0.00001
|
|
176 7PX 0.00013 0.00000 0.00001 -0.00003 -0.00001
|
|
177 7PY 0.00004 0.00001 0.00000 -0.00003 0.00000
|
|
178 7PZ -0.00013 -0.00001 -0.00003 0.00005 0.00002
|
|
179 8D 0 0.00002 0.00000 0.00000 0.00000 0.00000
|
|
180 8D+1 -0.00002 0.00000 0.00000 0.00001 0.00000
|
|
181 8D-1 0.00002 0.00000 0.00000 0.00001 -0.00001
|
|
182 8D+2 0.00003 0.00000 0.00000 0.00000 -0.00001
|
|
183 8D-2 -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
184 9D 0 0.00002 0.00000 0.00000 0.00001 0.00000
|
|
185 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
186 9D-1 0.00004 0.00000 0.00000 -0.00001 -0.00001
|
|
187 9D+2 0.00004 0.00000 0.00000 0.00000 -0.00001
|
|
188 9D-2 -0.00002 0.00000 0.00000 0.00000 0.00000
|
|
46 47 48 49 50
|
|
46 14F-3 0.00002
|
|
47 2 S 1S 0.00013 1.08102
|
|
48 2S -0.00056 -0.29203 1.05698
|
|
49 3S 0.00108 0.04704 -0.17652 0.33121
|
|
50 4S 0.00012 -0.01469 0.04827 0.04075 0.01022
|
|
51 5S 0.00049 0.02801 -0.10694 0.21892 0.02856
|
|
52 6S -0.00014 -0.00092 0.00353 -0.00840 -0.00093
|
|
53 7PX -0.00057 0.00260 -0.01111 0.01978 0.00617
|
|
54 7PY 0.00061 0.00224 -0.00882 0.01836 0.00492
|
|
55 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
56 8PX 0.00057 -0.00561 0.02306 -0.04993 -0.01008
|
|
57 8PY 0.00000 -0.00443 0.01770 -0.04132 -0.00746
|
|
58 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
59 9PX 0.00022 -0.00279 0.01063 -0.02029 -0.00389
|
|
60 9PY 0.00005 -0.00243 0.00901 -0.01755 -0.00291
|
|
61 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
62 10PX 0.00031 -0.00602 0.02287 -0.04212 -0.00718
|
|
63 10PY -0.00001 -0.00332 0.01314 -0.03174 -0.00530
|
|
64 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
65 11PX 0.00001 -0.00029 0.00103 -0.00149 -0.00021
|
|
66 11PY -0.00001 -0.00072 0.00280 -0.00635 -0.00091
|
|
67 11PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
68 12D 0 -0.00004 -0.00007 -0.00009 0.00231 0.00070
|
|
69 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
70 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
71 12D+2 0.00010 0.00003 0.00001 0.00092 0.00001
|
|
72 12D-2 -0.00005 -0.00006 0.00020 0.00018 0.00008
|
|
73 13D 0 -0.00005 0.00004 -0.00023 -0.00046 0.00023
|
|
74 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
75 13D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
76 13D+2 0.00009 0.00011 -0.00035 0.00089 -0.00004
|
|
77 13D-2 -0.00005 -0.00005 0.00017 -0.00088 -0.00006
|
|
78 14D 0 0.00001 0.00087 -0.00322 0.00613 0.00086
|
|
79 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
80 14D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
81 14D+2 0.00003 -0.00022 0.00069 0.00023 0.00004
|
|
82 14D-2 0.00003 -0.00016 0.00057 -0.00104 -0.00021
|
|
83 15F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
84 15F+1 -0.00002 -0.00012 0.00040 -0.00089 -0.00002
|
|
85 15F-1 0.00000 -0.00007 0.00025 -0.00040 0.00000
|
|
86 15F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
87 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
88 15F+3 0.00004 0.00015 -0.00053 0.00124 0.00008
|
|
89 15F-3 -0.00001 -0.00025 0.00090 -0.00180 -0.00014
|
|
90 16F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
91 16F+1 0.00000 0.00008 -0.00030 0.00068 0.00010
|
|
92 16F-1 0.00000 -0.00001 0.00003 0.00025 0.00006
|
|
93 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
94 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
95 16F+3 0.00000 0.00009 -0.00027 0.00016 0.00000
|
|
96 16F-3 0.00001 0.00013 -0.00046 0.00125 0.00016
|
|
97 3 H 1S 0.00041 0.00312 -0.01144 0.02227 0.00132
|
|
98 2S 0.00060 0.00313 -0.01181 0.02315 0.00058
|
|
99 3S 0.00013 0.00017 0.00033 -0.00872 -0.00202
|
|
100 4S 0.00000 -0.00025 0.00103 -0.00285 -0.00043
|
|
101 5PX -0.00004 -0.00049 0.00185 -0.00358 -0.00034
|
|
102 5PY 0.00001 0.00001 -0.00002 0.00001 -0.00004
|
|
103 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
104 6PX -0.00003 -0.00072 0.00304 -0.00617 -0.00070
|
|
105 6PY 0.00000 -0.00015 0.00052 -0.00117 -0.00022
|
|
106 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
107 7PX 0.00004 -0.00005 0.00012 0.00184 0.00015
|
|
108 7PY -0.00003 -0.00023 0.00089 -0.00203 -0.00020
|
|
109 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
110 8D 0 0.00000 -0.00009 0.00035 -0.00052 -0.00004
|
|
111 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
112 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
113 8D+2 0.00001 0.00016 -0.00060 0.00090 0.00008
|
|
114 8D-2 0.00000 -0.00002 0.00007 -0.00010 0.00001
|
|
115 9D 0 0.00000 0.00004 -0.00009 0.00018 0.00001
|
|
116 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
117 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
118 9D+2 -0.00001 0.00000 -0.00012 0.00025 0.00008
|
|
119 9D-2 0.00001 0.00007 -0.00022 0.00046 0.00005
|
|
120 4 H 1S 0.00011 -0.00104 0.00406 -0.00823 -0.00145
|
|
121 2S 0.00018 0.00005 0.00060 -0.00506 -0.00137
|
|
122 3S -0.00012 -0.00036 0.00247 -0.01175 -0.00192
|
|
123 4S -0.00002 0.00002 -0.00006 -0.00031 -0.00002
|
|
124 5PX 0.00000 -0.00007 0.00029 -0.00067 -0.00012
|
|
125 5PY -0.00001 -0.00004 0.00015 -0.00020 0.00000
|
|
126 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
127 6PX -0.00001 0.00011 -0.00032 0.00035 0.00002
|
|
128 6PY -0.00003 -0.00057 0.00208 -0.00321 -0.00029
|
|
129 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
130 7PX -0.00004 -0.00013 0.00066 -0.00231 -0.00034
|
|
131 7PY 0.00000 -0.00049 0.00174 -0.00244 -0.00028
|
|
132 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
133 8D 0 0.00000 -0.00001 0.00005 -0.00006 0.00000
|
|
134 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
135 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
136 8D+2 0.00000 -0.00006 0.00022 -0.00035 -0.00004
|
|
137 8D-2 0.00000 -0.00005 0.00019 -0.00026 -0.00002
|
|
138 9D 0 0.00000 0.00006 -0.00020 0.00032 0.00003
|
|
139 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
140 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
141 9D+2 0.00000 -0.00006 0.00020 -0.00007 0.00002
|
|
142 9D-2 -0.00001 -0.00006 0.00026 -0.00066 -0.00008
|
|
143 5 H 1S -0.00040 -0.00048 0.00179 -0.00370 -0.00056
|
|
144 2S -0.00048 0.00075 -0.00250 0.00216 0.00001
|
|
145 3S 0.00006 0.00200 -0.00743 0.01402 0.00185
|
|
146 4S 0.00002 0.00026 -0.00100 0.00226 0.00030
|
|
147 5PX 0.00001 0.00004 -0.00014 0.00027 0.00004
|
|
148 5PY 0.00001 -0.00001 0.00002 -0.00002 0.00002
|
|
149 5PZ 0.00004 0.00005 -0.00020 0.00044 0.00007
|
|
150 6PX -0.00002 -0.00002 0.00002 0.00003 0.00002
|
|
151 6PY -0.00002 -0.00041 0.00150 -0.00192 -0.00011
|
|
152 6PZ 0.00002 -0.00009 0.00030 -0.00040 -0.00003
|
|
153 7PX -0.00003 -0.00003 0.00019 -0.00064 -0.00009
|
|
154 7PY -0.00003 -0.00019 0.00069 -0.00129 -0.00016
|
|
155 7PZ -0.00005 -0.00047 0.00175 -0.00323 -0.00042
|
|
156 8D 0 -0.00001 -0.00003 0.00010 -0.00014 -0.00001
|
|
157 8D+1 0.00000 -0.00001 0.00005 -0.00009 -0.00001
|
|
158 8D-1 0.00000 0.00003 -0.00011 0.00012 0.00000
|
|
159 8D+2 0.00000 -0.00004 0.00015 -0.00019 -0.00001
|
|
160 8D-2 0.00000 0.00001 -0.00004 0.00005 0.00000
|
|
161 9D 0 0.00000 -0.00007 0.00025 -0.00024 0.00000
|
|
162 9D+1 0.00001 -0.00005 0.00016 -0.00021 -0.00001
|
|
163 9D-1 0.00001 0.00003 -0.00012 0.00025 0.00003
|
|
164 9D+2 0.00000 -0.00011 0.00038 -0.00036 -0.00002
|
|
165 9D-2 0.00001 0.00000 -0.00003 0.00005 0.00000
|
|
166 6 H 1S -0.00040 -0.00048 0.00179 -0.00370 -0.00056
|
|
167 2S -0.00048 0.00075 -0.00250 0.00216 0.00001
|
|
168 3S 0.00006 0.00200 -0.00743 0.01402 0.00185
|
|
169 4S 0.00002 0.00026 -0.00100 0.00226 0.00030
|
|
170 5PX 0.00001 0.00004 -0.00014 0.00027 0.00004
|
|
171 5PY 0.00001 -0.00001 0.00002 -0.00002 0.00002
|
|
172 5PZ -0.00004 -0.00005 0.00020 -0.00044 -0.00007
|
|
173 6PX -0.00002 -0.00002 0.00002 0.00003 0.00002
|
|
174 6PY -0.00002 -0.00041 0.00150 -0.00192 -0.00011
|
|
175 6PZ -0.00002 0.00009 -0.00030 0.00040 0.00003
|
|
176 7PX -0.00003 -0.00003 0.00019 -0.00064 -0.00009
|
|
177 7PY -0.00003 -0.00019 0.00069 -0.00129 -0.00016
|
|
178 7PZ 0.00005 0.00047 -0.00175 0.00323 0.00042
|
|
179 8D 0 -0.00001 -0.00003 0.00010 -0.00014 -0.00001
|
|
180 8D+1 0.00000 0.00001 -0.00005 0.00009 0.00001
|
|
181 8D-1 0.00000 -0.00003 0.00011 -0.00012 0.00000
|
|
182 8D+2 0.00000 -0.00004 0.00015 -0.00019 -0.00001
|
|
183 8D-2 0.00000 0.00001 -0.00004 0.00005 0.00000
|
|
184 9D 0 0.00000 -0.00007 0.00025 -0.00024 0.00000
|
|
185 9D+1 -0.00001 0.00005 -0.00016 0.00021 0.00001
|
|
186 9D-1 -0.00001 -0.00003 0.00012 -0.00025 -0.00003
|
|
187 9D+2 0.00000 -0.00011 0.00038 -0.00036 -0.00002
|
|
188 9D-2 0.00001 0.00000 -0.00003 0.00005 0.00000
|
|
51 52 53 54 55
|
|
51 5S 0.15858
|
|
52 6S -0.00174 0.00171
|
|
53 7PX 0.02258 0.00423 0.98025
|
|
54 7PY 0.01672 0.00266 0.00504 0.97794
|
|
55 7PZ 0.00000 0.00000 0.00000 0.00000 1.00166
|
|
56 8PX -0.06006 -0.00524 -0.09110 -0.00863 0.00000
|
|
57 8PY -0.06511 -0.00801 -0.00945 -0.08613 0.00000
|
|
58 8PZ 0.00000 0.00000 0.00000 0.00000 -0.13317
|
|
59 9PX -0.02512 -0.00215 0.02902 -0.00521 0.00000
|
|
60 9PY -0.02818 -0.00346 -0.00514 0.03146 0.00000
|
|
61 9PZ 0.00000 0.00000 0.00000 0.00000 0.00643
|
|
62 10PX -0.04513 -0.00341 -0.04067 -0.01244 0.00000
|
|
63 10PY -0.03921 -0.00355 -0.01093 -0.03854 0.00000
|
|
64 10PZ 0.00000 0.00000 0.00000 0.00000 -0.09240
|
|
65 11PX -0.00189 -0.00025 -0.00025 -0.00126 0.00000
|
|
66 11PY -0.00486 0.00005 -0.00155 -0.00108 0.00000
|
|
67 11PZ 0.00000 0.00000 0.00000 0.00000 -0.00972
|
|
68 12D 0 0.00470 0.00064 0.00648 0.00488 0.00000
|
|
69 12D+1 0.00000 0.00000 0.00000 0.00000 -0.00236
|
|
70 12D-1 0.00000 0.00000 0.00000 0.00000 -0.00201
|
|
71 12D+2 0.00194 0.00007 -0.01094 0.01139 0.00000
|
|
72 12D-2 0.00029 0.00021 -0.00056 -0.00282 0.00000
|
|
73 13D 0 0.00301 0.00078 0.00456 0.00322 0.00000
|
|
74 13D+1 0.00000 0.00000 0.00000 0.00000 -0.00060
|
|
75 13D-1 0.00000 0.00000 0.00000 0.00000 0.00027
|
|
76 13D+2 0.00176 0.00011 -0.00684 0.00683 0.00000
|
|
77 13D-2 -0.00033 0.00024 0.00227 -0.00014 0.00000
|
|
78 14D 0 0.00502 0.00004 0.00193 0.00175 0.00000
|
|
79 14D+1 0.00000 0.00000 0.00000 0.00000 -0.00088
|
|
80 14D-1 0.00000 0.00000 0.00000 0.00000 -0.00127
|
|
81 14D+2 -0.00005 -0.00014 -0.00144 0.00155 0.00000
|
|
82 14D-2 -0.00185 -0.00035 -0.00046 -0.00165 0.00000
|
|
83 15F 0 0.00000 0.00000 0.00000 0.00000 0.00132
|
|
84 15F+1 -0.00003 0.00015 0.00208 -0.00029 0.00000
|
|
85 15F-1 0.00061 0.00020 -0.00017 0.00182 0.00000
|
|
86 15F+2 0.00000 0.00000 0.00000 0.00000 0.00003
|
|
87 15F-2 0.00000 0.00000 0.00000 0.00000 0.00037
|
|
88 15F+3 0.00021 -0.00025 -0.00166 0.00034 0.00000
|
|
89 15F-3 -0.00017 0.00026 0.00066 0.00155 0.00000
|
|
90 16F 0 0.00000 0.00000 0.00000 0.00000 0.00159
|
|
91 16F+1 0.00051 -0.00001 0.00107 -0.00017 0.00000
|
|
92 16F-1 0.00030 0.00001 0.00034 0.00083 0.00000
|
|
93 16F+2 0.00000 0.00000 0.00000 0.00000 0.00001
|
|
94 16F-2 0.00000 0.00000 0.00000 0.00000 0.00038
|
|
95 16F+3 0.00019 0.00001 -0.00088 0.00073 0.00000
|
|
96 16F-3 0.00065 -0.00010 -0.00062 -0.00006 0.00000
|
|
97 3 H 1S 0.00590 -0.00280 -0.03192 0.00445 0.00000
|
|
98 2S 0.00031 -0.00439 -0.04530 0.00301 0.00000
|
|
99 3S -0.00756 -0.00017 -0.01836 0.00777 0.00000
|
|
100 4S -0.00151 0.00022 -0.00150 0.00108 0.00000
|
|
101 5PX -0.00174 0.00025 0.00250 -0.00051 0.00000
|
|
102 5PY -0.00048 -0.00012 -0.00060 -0.00075 0.00000
|
|
103 5PZ 0.00000 0.00000 0.00000 0.00000 -0.00146
|
|
104 6PX -0.00337 0.00031 -0.00087 0.00041 0.00000
|
|
105 6PY -0.00192 -0.00023 0.00047 -0.00110 0.00000
|
|
106 6PZ 0.00000 0.00000 0.00000 0.00000 -0.00388
|
|
107 7PX -0.00032 -0.00046 -0.00244 -0.00214 0.00000
|
|
108 7PY -0.00024 0.00044 0.00056 0.00230 0.00000
|
|
109 7PZ 0.00000 0.00000 0.00000 0.00000 -0.00229
|
|
110 8D 0 -0.00018 0.00005 0.00043 0.00000 0.00000
|
|
111 8D+1 0.00000 0.00000 0.00000 0.00000 0.00071
|
|
112 8D-1 0.00000 0.00000 0.00000 0.00000 -0.00007
|
|
113 8D+2 0.00047 -0.00005 -0.00062 0.00014 0.00000
|
|
114 8D-2 0.00021 0.00007 0.00021 0.00044 0.00000
|
|
115 9D 0 0.00003 -0.00003 -0.00018 -0.00017 0.00000
|
|
116 9D+1 0.00000 0.00000 0.00000 0.00000 0.00007
|
|
117 9D-1 0.00000 0.00000 0.00000 0.00000 0.00007
|
|
118 9D+2 0.00040 0.00004 0.00120 -0.00024 0.00000
|
|
119 9D-2 0.00031 -0.00003 -0.00072 -0.00056 0.00000
|
|
120 4 H 1S -0.00439 0.00056 -0.00189 0.00282 0.00000
|
|
121 2S -0.00356 0.00002 -0.00374 -0.00556 0.00000
|
|
122 3S -0.00660 0.00136 0.00144 -0.00310 0.00000
|
|
123 4S -0.00039 0.00003 0.00113 -0.00128 0.00000
|
|
124 5PX -0.00023 0.00012 -0.00007 0.00023 0.00000
|
|
125 5PY 0.00019 0.00011 -0.00021 0.00068 0.00000
|
|
126 5PZ 0.00000 0.00000 0.00000 0.00000 0.00003
|
|
127 6PX 0.00028 0.00008 -0.00040 -0.00102 0.00000
|
|
128 6PY -0.00041 0.00058 0.00066 0.00392 0.00000
|
|
129 6PZ 0.00000 0.00000 0.00000 0.00000 0.00008
|
|
130 7PX -0.00159 0.00021 0.00055 -0.00150 0.00000
|
|
131 7PY -0.00156 0.00008 -0.00080 0.00051 0.00000
|
|
132 7PZ 0.00000 0.00000 0.00000 0.00000 0.00059
|
|
133 8D 0 -0.00002 0.00000 0.00000 0.00010 0.00000
|
|
134 8D+1 0.00000 0.00000 0.00000 0.00000 0.00002
|
|
135 8D-1 0.00000 0.00000 0.00000 0.00000 0.00008
|
|
136 8D+2 -0.00007 0.00006 -0.00014 0.00038 0.00000
|
|
137 8D-2 0.00003 0.00007 -0.00005 0.00048 0.00000
|
|
138 9D 0 0.00031 0.00006 -0.00014 0.00021 0.00000
|
|
139 9D+1 0.00000 0.00000 0.00000 0.00000 0.00003
|
|
140 9D-1 0.00000 0.00000 0.00000 0.00000 -0.00008
|
|
141 9D+2 0.00015 0.00001 -0.00051 0.00101 0.00000
|
|
142 9D-2 -0.00012 0.00013 0.00055 0.00013 0.00000
|
|
143 5 H 1S 0.00343 0.00410 0.00092 0.00453 0.00426
|
|
144 2S 0.00699 0.00446 0.00164 -0.00363 0.00637
|
|
145 3S 0.00814 -0.00102 0.00168 -0.00934 0.00907
|
|
146 4S 0.00135 -0.00016 0.00018 -0.00044 0.00109
|
|
147 5PX -0.00005 -0.00014 0.00000 -0.00021 -0.00009
|
|
148 5PY 0.00018 -0.00003 0.00007 0.00054 0.00024
|
|
149 5PZ -0.00022 -0.00036 -0.00001 -0.00036 -0.00011
|
|
150 6PX 0.00014 0.00010 0.00009 0.00009 0.00003
|
|
151 6PY 0.00066 0.00056 0.00009 0.00505 0.00048
|
|
152 6PZ -0.00033 -0.00014 -0.00007 0.00074 0.00020
|
|
153 7PX 0.00060 0.00049 0.00036 0.00205 -0.00095
|
|
154 7PY -0.00045 0.00032 0.00033 0.00172 0.00075
|
|
155 7PZ -0.00133 0.00056 -0.00058 0.00218 -0.00055
|
|
156 8D 0 0.00010 0.00009 0.00005 0.00031 0.00009
|
|
157 8D+1 0.00004 0.00005 0.00000 0.00012 0.00006
|
|
158 8D-1 -0.00005 -0.00001 -0.00007 -0.00040 -0.00007
|
|
159 8D+2 0.00003 0.00004 0.00005 0.00043 0.00012
|
|
160 8D-2 -0.00003 -0.00001 0.00004 -0.00020 -0.00008
|
|
161 9D 0 0.00000 0.00002 0.00014 0.00070 0.00009
|
|
162 9D+1 -0.00019 -0.00008 0.00000 0.00023 0.00005
|
|
163 9D-1 -0.00012 -0.00013 0.00008 -0.00024 0.00017
|
|
164 9D+2 0.00005 0.00009 0.00019 0.00094 0.00018
|
|
165 9D-2 -0.00016 -0.00009 0.00000 -0.00016 0.00019
|
|
166 6 H 1S 0.00343 0.00410 0.00092 0.00453 -0.00426
|
|
167 2S 0.00699 0.00446 0.00164 -0.00363 -0.00637
|
|
168 3S 0.00814 -0.00102 0.00168 -0.00934 -0.00907
|
|
169 4S 0.00135 -0.00016 0.00018 -0.00044 -0.00109
|
|
170 5PX -0.00005 -0.00014 0.00000 -0.00021 0.00009
|
|
171 5PY 0.00018 -0.00003 0.00007 0.00054 -0.00024
|
|
172 5PZ 0.00022 0.00036 0.00001 0.00036 -0.00011
|
|
173 6PX 0.00014 0.00010 0.00009 0.00009 -0.00003
|
|
174 6PY 0.00066 0.00056 0.00009 0.00505 -0.00048
|
|
175 6PZ 0.00033 0.00014 0.00007 -0.00074 0.00020
|
|
176 7PX 0.00060 0.00049 0.00036 0.00205 0.00095
|
|
177 7PY -0.00045 0.00032 0.00033 0.00172 -0.00075
|
|
178 7PZ 0.00133 -0.00056 0.00058 -0.00218 -0.00055
|
|
179 8D 0 0.00010 0.00009 0.00005 0.00031 -0.00009
|
|
180 8D+1 -0.00004 -0.00005 0.00000 -0.00012 0.00006
|
|
181 8D-1 0.00005 0.00001 0.00007 0.00040 -0.00007
|
|
182 8D+2 0.00003 0.00004 0.00005 0.00043 -0.00012
|
|
183 8D-2 -0.00003 -0.00001 0.00004 -0.00020 0.00008
|
|
184 9D 0 0.00000 0.00002 0.00014 0.00070 -0.00009
|
|
185 9D+1 0.00019 0.00008 0.00000 -0.00023 0.00005
|
|
186 9D-1 0.00012 0.00013 -0.00008 0.00024 0.00017
|
|
187 9D+2 0.00005 0.00009 0.00019 0.00094 -0.00018
|
|
188 9D-2 -0.00016 -0.00009 0.00000 -0.00016 -0.00019
|
|
56 57 58 59 60
|
|
56 8PX 0.16973
|
|
57 8PY 0.02143 0.15690
|
|
58 8PZ 0.00000 0.00000 0.28051
|
|
59 9PX 0.06871 0.01049 0.00000 0.03250
|
|
60 9PY 0.00903 0.06378 0.00000 0.00426 0.03070
|
|
61 9PZ 0.00000 0.00000 0.11560 0.00000 0.00000
|
|
62 10PX 0.08975 0.02555 0.00000 0.03700 0.01059
|
|
63 10PY 0.02033 0.07211 0.00000 0.00896 0.02940
|
|
64 10PZ 0.00000 0.00000 0.20835 0.00000 0.00000
|
|
65 11PX 0.00074 0.00329 0.00000 0.00034 0.00139
|
|
66 11PY 0.00384 0.00207 0.00000 0.00159 0.00084
|
|
67 11PZ 0.00000 0.00000 0.02089 0.00000 0.00000
|
|
68 12D 0 -0.01088 -0.00768 0.00000 -0.00443 -0.00306
|
|
69 12D+1 0.00000 0.00000 0.00266 0.00000 0.00000
|
|
70 12D-1 0.00000 0.00000 0.00101 0.00000 0.00000
|
|
71 12D+2 0.01681 -0.01755 0.00000 0.00647 -0.00696
|
|
72 12D-2 -0.00265 0.00205 0.00000 -0.00119 0.00071
|
|
73 13D 0 -0.01042 -0.00764 0.00000 -0.00437 -0.00317
|
|
74 13D+1 0.00000 0.00000 0.00280 0.00000 0.00000
|
|
75 13D-1 0.00000 0.00000 0.00100 0.00000 0.00000
|
|
76 13D+2 0.01617 -0.01583 0.00000 0.00649 -0.00654
|
|
77 13D-2 -0.00323 0.00189 0.00000 -0.00125 0.00082
|
|
78 14D 0 -0.00417 -0.00310 0.00000 -0.00173 -0.00126
|
|
79 14D+1 0.00000 0.00000 0.00181 0.00000 0.00000
|
|
80 14D-1 0.00000 0.00000 0.00405 0.00000 0.00000
|
|
81 14D+2 0.00408 -0.00214 0.00000 0.00168 -0.00083
|
|
82 14D-2 0.00241 0.00312 0.00000 0.00107 0.00128
|
|
83 15F 0 0.00000 0.00000 -0.00316 0.00000 0.00000
|
|
84 15F+1 -0.00447 0.00055 0.00000 -0.00183 0.00023
|
|
85 15F-1 0.00028 -0.00389 0.00000 0.00007 -0.00160
|
|
86 15F+2 0.00000 0.00000 0.00013 0.00000 0.00000
|
|
87 15F-2 0.00000 0.00000 -0.00103 0.00000 0.00000
|
|
88 15F+3 0.00386 -0.00047 0.00000 0.00159 -0.00018
|
|
89 15F-3 -0.00170 -0.00306 0.00000 -0.00074 -0.00125
|
|
90 16F 0 0.00000 0.00000 -0.00228 0.00000 0.00000
|
|
91 16F+1 -0.00068 0.00000 0.00000 -0.00023 -0.00001
|
|
92 16F-1 -0.00051 -0.00042 0.00000 -0.00021 -0.00013
|
|
93 16F+2 0.00000 0.00000 0.00016 0.00000 0.00000
|
|
94 16F-2 0.00000 0.00000 -0.00074 0.00000 0.00000
|
|
95 16F+3 0.00058 -0.00078 0.00000 0.00018 -0.00029
|
|
96 16F-3 0.00060 0.00001 0.00000 0.00022 0.00000
|
|
97 3 H 1S 0.06670 -0.00903 0.00000 0.02719 -0.00372
|
|
98 2S 0.10577 -0.00762 0.00000 0.04354 -0.00320
|
|
99 3S 0.03568 -0.01256 0.00000 0.01430 -0.00506
|
|
100 4S 0.00334 -0.00269 0.00000 0.00133 -0.00113
|
|
101 5PX -0.00475 0.00108 0.00000 -0.00192 0.00045
|
|
102 5PY 0.00110 0.00140 0.00000 0.00046 0.00057
|
|
103 5PZ 0.00000 0.00000 0.00304 0.00000 0.00000
|
|
104 6PX -0.00252 -0.00015 0.00000 -0.00119 -0.00002
|
|
105 6PY 0.00130 0.00428 0.00000 0.00065 0.00183
|
|
106 6PZ 0.00000 0.00000 0.01030 0.00000 0.00000
|
|
107 7PX 0.00552 0.00263 0.00000 0.00231 0.00102
|
|
108 7PY -0.00066 -0.00321 0.00000 -0.00030 -0.00127
|
|
109 7PZ 0.00000 0.00000 0.00583 0.00000 0.00000
|
|
110 8D 0 -0.00062 -0.00020 0.00000 -0.00025 -0.00009
|
|
111 8D+1 0.00000 0.00000 -0.00134 0.00000 0.00000
|
|
112 8D-1 0.00000 0.00000 0.00019 0.00000 0.00000
|
|
113 8D+2 0.00083 -0.00017 0.00000 0.00033 -0.00007
|
|
114 8D-2 -0.00039 -0.00093 0.00000 -0.00017 -0.00038
|
|
115 9D 0 0.00033 0.00012 0.00000 0.00013 0.00004
|
|
116 9D+1 0.00000 0.00000 -0.00160 0.00000 0.00000
|
|
117 9D-1 0.00000 0.00000 -0.00002 0.00000 0.00000
|
|
118 9D+2 -0.00236 0.00034 0.00000 -0.00095 0.00014
|
|
119 9D-2 0.00063 -0.00052 0.00000 0.00023 -0.00027
|
|
120 4 H 1S 0.00488 -0.00584 0.00000 0.00194 -0.00260
|
|
121 2S 0.00630 -0.00247 0.00000 0.00250 -0.00173
|
|
122 3S 0.01715 -0.00864 0.00000 0.00753 -0.00413
|
|
123 4S -0.00235 0.00266 0.00000 -0.00093 0.00109
|
|
124 5PX 0.00015 -0.00065 0.00000 0.00005 -0.00029
|
|
125 5PY 0.00031 -0.00134 0.00000 0.00010 -0.00055
|
|
126 5PZ 0.00000 0.00000 -0.00002 0.00000 0.00000
|
|
127 6PX -0.00010 0.00022 0.00000 -0.00007 0.00001
|
|
128 6PY -0.00017 -0.00604 0.00000 -0.00011 -0.00242
|
|
129 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
130 7PX 0.00342 -0.00033 0.00000 0.00154 -0.00025
|
|
131 7PY -0.00003 0.00033 0.00000 -0.00007 0.00018
|
|
132 7PZ 0.00000 0.00000 0.00219 0.00000 0.00000
|
|
133 8D 0 -0.00002 -0.00009 0.00000 -0.00001 -0.00003
|
|
134 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
135 8D-1 0.00000 0.00000 -0.00016 0.00000 0.00000
|
|
136 8D+2 0.00014 -0.00064 0.00000 0.00004 -0.00026
|
|
137 8D-2 0.00011 -0.00079 0.00000 0.00003 -0.00032
|
|
138 9D 0 -0.00011 -0.00023 0.00000 -0.00006 -0.00010
|
|
139 9D+1 0.00000 0.00000 0.00021 0.00000 0.00000
|
|
140 9D-1 0.00000 0.00000 -0.00048 0.00000 0.00000
|
|
141 9D+2 0.00047 -0.00131 0.00000 0.00016 -0.00051
|
|
142 9D-2 -0.00048 -0.00069 0.00000 -0.00019 -0.00031
|
|
143 5 H 1S -0.00193 -0.00915 -0.00990 -0.00097 -0.00409
|
|
144 2S -0.00463 -0.00389 -0.01786 -0.00205 -0.00241
|
|
145 3S -0.01359 0.00845 -0.05046 -0.00574 0.00313
|
|
146 4S -0.00080 0.00030 -0.00301 -0.00033 0.00011
|
|
147 5PX 0.00002 0.00050 0.00020 0.00002 0.00022
|
|
148 5PY -0.00010 -0.00116 -0.00038 -0.00005 -0.00047
|
|
149 5PZ 0.00004 0.00082 0.00035 0.00004 0.00037
|
|
150 6PX -0.00008 -0.00003 0.00039 -0.00003 -0.00001
|
|
151 6PY -0.00010 -0.00752 -0.00100 -0.00013 -0.00300
|
|
152 6PZ 0.00024 -0.00056 0.00009 0.00010 -0.00018
|
|
153 7PX 0.00154 -0.00402 0.00360 0.00065 -0.00167
|
|
154 7PY 0.00053 -0.00084 0.00138 0.00024 -0.00027
|
|
155 7PZ 0.00178 -0.00236 0.00705 0.00070 -0.00093
|
|
156 8D 0 -0.00007 -0.00050 -0.00018 -0.00004 -0.00021
|
|
157 8D+1 -0.00004 -0.00026 -0.00014 -0.00002 -0.00011
|
|
158 8D-1 0.00008 0.00061 0.00006 0.00004 0.00024
|
|
159 8D+2 -0.00006 -0.00059 -0.00015 -0.00003 -0.00023
|
|
160 8D-2 -0.00004 0.00031 0.00012 -0.00001 0.00012
|
|
161 9D 0 -0.00009 -0.00071 0.00004 -0.00004 -0.00026
|
|
162 9D+1 0.00001 -0.00015 -0.00015 0.00000 -0.00004
|
|
163 9D-1 0.00018 0.00075 0.00011 0.00009 0.00033
|
|
164 9D+2 -0.00016 -0.00104 -0.00009 -0.00007 -0.00040
|
|
165 9D-2 -0.00009 0.00065 0.00012 -0.00003 0.00028
|
|
166 6 H 1S -0.00193 -0.00915 0.00990 -0.00097 -0.00409
|
|
167 2S -0.00463 -0.00389 0.01786 -0.00205 -0.00241
|
|
168 3S -0.01359 0.00845 0.05046 -0.00574 0.00313
|
|
169 4S -0.00080 0.00030 0.00301 -0.00033 0.00011
|
|
170 5PX 0.00002 0.00050 -0.00020 0.00002 0.00022
|
|
171 5PY -0.00010 -0.00116 0.00038 -0.00005 -0.00047
|
|
172 5PZ -0.00004 -0.00082 0.00035 -0.00004 -0.00037
|
|
173 6PX -0.00008 -0.00003 -0.00039 -0.00003 -0.00001
|
|
174 6PY -0.00010 -0.00752 0.00100 -0.00013 -0.00300
|
|
175 6PZ -0.00024 0.00056 0.00009 -0.00010 0.00018
|
|
176 7PX 0.00154 -0.00402 -0.00360 0.00065 -0.00167
|
|
177 7PY 0.00053 -0.00084 -0.00138 0.00024 -0.00027
|
|
178 7PZ -0.00178 0.00236 0.00705 -0.00070 0.00093
|
|
179 8D 0 -0.00007 -0.00050 0.00018 -0.00004 -0.00021
|
|
180 8D+1 0.00004 0.00026 -0.00014 0.00002 0.00011
|
|
181 8D-1 -0.00008 -0.00061 0.00006 -0.00004 -0.00024
|
|
182 8D+2 -0.00006 -0.00059 0.00015 -0.00003 -0.00023
|
|
183 8D-2 -0.00004 0.00031 -0.00012 -0.00001 0.00012
|
|
184 9D 0 -0.00009 -0.00071 -0.00004 -0.00004 -0.00026
|
|
185 9D+1 -0.00001 0.00015 -0.00015 0.00000 0.00004
|
|
186 9D-1 -0.00018 -0.00075 0.00011 -0.00009 -0.00033
|
|
187 9D+2 -0.00016 -0.00104 0.00009 -0.00007 -0.00040
|
|
188 9D-2 -0.00009 0.00065 -0.00012 -0.00003 0.00028
|
|
61 62 63 64 65
|
|
61 9PZ 0.05165
|
|
62 10PX 0.00000 0.05001
|
|
63 10PY 0.00000 0.01763 0.03416
|
|
64 10PZ 0.08632 0.00000 0.00000 0.15609
|
|
65 11PX 0.00000 0.00079 0.00155 0.00000 0.00008
|
|
66 11PY 0.00000 0.00237 0.00134 0.00000 0.00005
|
|
67 11PZ 0.00863 0.00000 0.00000 0.01585 0.00000
|
|
68 12D 0 0.00000 -0.00630 -0.00410 0.00000 -0.00017
|
|
69 12D+1 0.00102 0.00000 0.00000 0.00193 0.00000
|
|
70 12D-1 0.00030 0.00000 0.00000 0.00015 0.00000
|
|
71 12D+2 0.00000 0.00717 -0.00691 0.00000 -0.00030
|
|
72 12D-2 0.00000 -0.00166 0.00070 0.00000 -0.00001
|
|
73 13D 0 0.00000 -0.00598 -0.00396 0.00000 -0.00017
|
|
74 13D+1 0.00120 0.00000 0.00000 0.00206 0.00000
|
|
75 13D-1 0.00045 0.00000 0.00000 0.00022 0.00000
|
|
76 13D+2 0.00000 0.00699 -0.00617 0.00000 -0.00028
|
|
77 13D-2 0.00000 -0.00185 0.00064 0.00000 -0.00001
|
|
78 14D 0 0.00000 -0.00257 -0.00180 0.00000 -0.00007
|
|
79 14D+1 0.00075 0.00000 0.00000 0.00140 0.00000
|
|
80 14D-1 0.00172 0.00000 0.00000 0.00314 0.00000
|
|
81 14D+2 0.00000 0.00193 -0.00075 0.00000 -0.00003
|
|
82 14D-2 0.00000 0.00173 0.00157 0.00000 0.00009
|
|
83 15F 0 -0.00131 0.00000 0.00000 -0.00222 0.00000
|
|
84 15F+1 0.00000 -0.00217 0.00003 0.00000 0.00001
|
|
85 15F-1 0.00000 -0.00017 -0.00170 0.00000 -0.00008
|
|
86 15F+2 0.00006 0.00000 0.00000 0.00028 0.00000
|
|
87 15F-2 -0.00043 0.00000 0.00000 -0.00079 0.00000
|
|
88 15F+3 0.00000 0.00205 -0.00002 0.00000 0.00001
|
|
89 15F-3 0.00000 -0.00104 -0.00140 0.00000 -0.00006
|
|
90 16F 0 -0.00091 0.00000 0.00000 -0.00169 0.00000
|
|
91 16F+1 0.00000 -0.00036 -0.00006 0.00000 0.00000
|
|
92 16F-1 0.00000 -0.00030 -0.00023 0.00000 -0.00001
|
|
93 16F+2 0.00007 0.00000 0.00000 0.00012 0.00000
|
|
94 16F-2 -0.00030 0.00000 0.00000 -0.00056 0.00000
|
|
95 16F+3 0.00000 0.00022 -0.00032 0.00000 -0.00001
|
|
96 16F-3 0.00000 0.00025 -0.00001 0.00000 0.00000
|
|
97 3 H 1S 0.00000 0.03248 -0.00107 0.00000 -0.00011
|
|
98 2S 0.00000 0.05270 0.00167 0.00000 0.00000
|
|
99 3S 0.00000 0.01778 -0.00327 0.00000 -0.00017
|
|
100 4S 0.00000 0.00160 -0.00091 0.00000 -0.00005
|
|
101 5PX 0.00000 -0.00218 0.00034 0.00000 0.00002
|
|
102 5PY 0.00000 0.00066 0.00068 0.00000 0.00003
|
|
103 5PZ 0.00125 0.00000 0.00000 0.00226 0.00000
|
|
104 6PX 0.00000 -0.00103 0.00000 0.00000 0.00001
|
|
105 6PY 0.00000 0.00104 0.00200 0.00000 0.00009
|
|
106 6PZ 0.00431 0.00000 0.00000 0.00768 0.00000
|
|
107 7PX 0.00000 0.00298 0.00140 0.00000 0.00006
|
|
108 7PY 0.00000 -0.00073 -0.00142 0.00000 -0.00009
|
|
109 7PZ 0.00244 0.00000 0.00000 0.00441 0.00000
|
|
110 8D 0 0.00000 -0.00030 -0.00010 0.00000 0.00000
|
|
111 8D+1 -0.00055 0.00000 0.00000 -0.00100 0.00000
|
|
112 8D-1 0.00008 0.00000 0.00000 0.00013 0.00000
|
|
113 8D+2 0.00000 0.00037 -0.00006 0.00000 0.00000
|
|
114 8D-2 0.00000 -0.00026 -0.00043 0.00000 -0.00002
|
|
115 9D 0 0.00000 0.00018 0.00007 0.00000 0.00000
|
|
116 9D+1 -0.00071 0.00000 0.00000 -0.00121 0.00000
|
|
117 9D-1 0.00000 0.00000 0.00000 -0.00001 0.00000
|
|
118 9D+2 0.00000 -0.00117 0.00002 0.00000 0.00001
|
|
119 9D-2 0.00000 0.00029 -0.00021 0.00000 -0.00001
|
|
120 4 H 1S 0.00000 0.00616 -0.00136 0.00000 0.00013
|
|
121 2S 0.00000 0.00811 0.00029 0.00000 0.00028
|
|
122 3S 0.00000 0.00699 -0.00272 0.00000 -0.00032
|
|
123 4S 0.00000 -0.00118 0.00103 0.00000 0.00003
|
|
124 5PX 0.00000 0.00033 -0.00020 0.00000 0.00000
|
|
125 5PY 0.00000 -0.00008 -0.00059 0.00000 -0.00004
|
|
126 5PZ -0.00001 0.00000 0.00000 -0.00019 0.00000
|
|
127 6PX 0.00000 -0.00008 0.00008 0.00000 -0.00001
|
|
128 6PY 0.00000 -0.00050 -0.00258 0.00000 -0.00013
|
|
129 6PZ -0.00001 0.00000 0.00000 -0.00044 0.00000
|
|
130 7PX 0.00000 0.00106 -0.00001 0.00000 -0.00007
|
|
131 7PY 0.00000 0.00028 0.00026 0.00000 0.00002
|
|
132 7PZ 0.00101 0.00000 0.00000 0.00162 0.00000
|
|
133 8D 0 0.00000 -0.00004 -0.00004 0.00000 0.00000
|
|
134 8D+1 0.00000 0.00000 0.00000 -0.00007 0.00000
|
|
135 8D-1 -0.00006 0.00000 0.00000 -0.00010 0.00000
|
|
136 8D+2 0.00000 0.00008 -0.00025 0.00000 -0.00001
|
|
137 8D-2 0.00000 -0.00005 -0.00034 0.00000 -0.00002
|
|
138 9D 0 0.00000 -0.00006 -0.00011 0.00000 -0.00001
|
|
139 9D+1 0.00009 0.00000 0.00000 0.00010 0.00000
|
|
140 9D-1 -0.00022 0.00000 0.00000 -0.00034 0.00000
|
|
141 9D+2 0.00000 0.00010 -0.00057 0.00000 -0.00002
|
|
142 9D-2 0.00000 -0.00024 -0.00030 0.00000 -0.00002
|
|
143 5 H 1S -0.00423 -0.00407 -0.00412 -0.01254 -0.00063
|
|
144 2S -0.00765 -0.00608 -0.00219 -0.02012 -0.00066
|
|
145 3S -0.02175 -0.00617 0.00260 -0.03678 0.00021
|
|
146 4S -0.00126 -0.00038 0.00002 -0.00200 0.00001
|
|
147 5PX 0.00009 0.00004 0.00021 0.00040 0.00002
|
|
148 5PY -0.00015 -0.00005 -0.00051 -0.00007 -0.00001
|
|
149 5PZ 0.00015 0.00030 0.00036 0.00056 0.00006
|
|
150 6PX 0.00018 -0.00031 -0.00005 0.00052 -0.00003
|
|
151 6PY -0.00041 -0.00058 -0.00327 -0.00067 -0.00015
|
|
152 6PZ 0.00005 0.00028 -0.00021 -0.00006 0.00002
|
|
153 7PX 0.00152 0.00018 -0.00170 0.00232 -0.00012
|
|
154 7PY 0.00065 0.00003 -0.00031 0.00073 -0.00005
|
|
155 7PZ 0.00307 0.00056 -0.00085 0.00461 -0.00009
|
|
156 8D 0 -0.00007 -0.00013 -0.00023 -0.00014 -0.00002
|
|
157 8D+1 -0.00006 -0.00004 -0.00011 -0.00018 -0.00001
|
|
158 8D-1 0.00002 0.00005 0.00027 -0.00001 0.00001
|
|
159 8D+2 -0.00006 -0.00005 -0.00026 -0.00012 -0.00001
|
|
160 8D-2 0.00004 0.00000 0.00013 0.00004 0.00001
|
|
161 9D 0 0.00002 -0.00011 -0.00032 0.00010 -0.00001
|
|
162 9D+1 -0.00006 0.00006 -0.00006 -0.00007 0.00001
|
|
163 9D-1 0.00006 0.00017 0.00033 0.00014 0.00002
|
|
164 9D+2 -0.00003 -0.00014 -0.00045 -0.00009 -0.00002
|
|
165 9D-2 0.00007 0.00005 0.00028 0.00011 0.00002
|
|
166 6 H 1S 0.00423 -0.00407 -0.00412 0.01254 -0.00063
|
|
167 2S 0.00765 -0.00608 -0.00219 0.02012 -0.00066
|
|
168 3S 0.02175 -0.00617 0.00260 0.03678 0.00021
|
|
169 4S 0.00126 -0.00038 0.00002 0.00200 0.00001
|
|
170 5PX -0.00009 0.00004 0.00021 -0.00040 0.00002
|
|
171 5PY 0.00015 -0.00005 -0.00051 0.00007 -0.00001
|
|
172 5PZ 0.00015 -0.00030 -0.00036 0.00056 -0.00006
|
|
173 6PX -0.00018 -0.00031 -0.00005 -0.00052 -0.00003
|
|
174 6PY 0.00041 -0.00058 -0.00327 0.00067 -0.00015
|
|
175 6PZ 0.00005 -0.00028 0.00021 -0.00006 -0.00002
|
|
176 7PX -0.00152 0.00018 -0.00170 -0.00232 -0.00012
|
|
177 7PY -0.00065 0.00003 -0.00031 -0.00073 -0.00005
|
|
178 7PZ 0.00307 -0.00056 0.00085 0.00461 0.00009
|
|
179 8D 0 0.00007 -0.00013 -0.00023 0.00014 -0.00002
|
|
180 8D+1 -0.00006 0.00004 0.00011 -0.00018 0.00001
|
|
181 8D-1 0.00002 -0.00005 -0.00027 -0.00001 -0.00001
|
|
182 8D+2 0.00006 -0.00005 -0.00026 0.00012 -0.00001
|
|
183 8D-2 -0.00004 0.00000 0.00013 -0.00004 0.00001
|
|
184 9D 0 -0.00002 -0.00011 -0.00032 -0.00010 -0.00001
|
|
185 9D+1 -0.00006 -0.00006 0.00006 -0.00007 -0.00001
|
|
186 9D-1 0.00006 -0.00017 -0.00033 0.00014 -0.00002
|
|
187 9D+2 0.00003 -0.00014 -0.00045 0.00009 -0.00002
|
|
188 9D-2 -0.00007 0.00005 0.00028 -0.00011 0.00002
|
|
66 67 68 69 70
|
|
66 11PY 0.00019
|
|
67 11PZ 0.00000 0.00164
|
|
68 12D 0 -0.00029 0.00000 0.00102
|
|
69 12D+1 0.00000 0.00019 0.00000 0.00003
|
|
70 12D-1 0.00000 -0.00008 0.00000 0.00003 0.00027
|
|
71 12D+2 0.00013 0.00000 -0.00025 0.00000 0.00000
|
|
72 12D-2 -0.00004 0.00000 0.00014 0.00000 0.00000
|
|
73 13D 0 -0.00023 0.00000 0.00099 0.00000 0.00000
|
|
74 13D+1 0.00000 0.00020 0.00000 0.00003 0.00002
|
|
75 13D-1 0.00000 -0.00006 0.00000 0.00002 0.00024
|
|
76 13D+2 0.00015 0.00000 -0.00031 0.00000 0.00000
|
|
77 13D-2 -0.00004 0.00000 0.00019 0.00000 0.00000
|
|
78 14D 0 -0.00019 0.00000 0.00034 0.00000 0.00000
|
|
79 14D+1 0.00000 0.00015 0.00000 0.00002 -0.00002
|
|
80 14D-1 0.00000 0.00034 0.00000 0.00003 -0.00004
|
|
81 14D+2 0.00004 0.00000 -0.00014 0.00000 0.00000
|
|
82 14D-2 0.00008 0.00000 -0.00029 0.00000 0.00000
|
|
83 15F 0 0.00000 -0.00020 0.00000 -0.00003 -0.00007
|
|
84 15F+1 -0.00006 0.00000 0.00025 0.00000 0.00000
|
|
85 15F-1 -0.00002 0.00000 0.00016 0.00000 0.00000
|
|
86 15F+2 0.00000 0.00006 0.00000 0.00000 -0.00008
|
|
87 15F-2 0.00000 -0.00008 0.00000 -0.00001 0.00001
|
|
88 15F+3 0.00005 0.00000 -0.00025 0.00000 0.00000
|
|
89 15F-3 -0.00003 0.00000 0.00026 0.00000 0.00000
|
|
90 16F 0 0.00000 -0.00017 0.00000 -0.00002 -0.00001
|
|
91 16F+1 -0.00002 0.00000 0.00004 0.00000 0.00000
|
|
92 16F-1 -0.00002 0.00000 0.00005 0.00000 0.00000
|
|
93 16F+2 0.00000 0.00001 0.00000 0.00000 0.00000
|
|
94 16F-2 0.00000 -0.00006 0.00000 -0.00001 0.00000
|
|
95 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
96 16F-3 -0.00001 0.00000 -0.00004 0.00000 0.00000
|
|
97 3 H 1S 0.00074 0.00000 -0.00389 0.00000 0.00000
|
|
98 2S 0.00142 0.00000 -0.00638 0.00000 0.00000
|
|
99 3S 0.00070 0.00000 -0.00170 0.00000 0.00000
|
|
100 4S 0.00010 0.00000 -0.00009 0.00000 0.00000
|
|
101 5PX -0.00002 0.00000 0.00027 0.00000 0.00000
|
|
102 5PY 0.00003 0.00000 -0.00012 0.00000 0.00000
|
|
103 5PZ 0.00000 0.00023 0.00000 0.00003 0.00001
|
|
104 6PX 0.00005 0.00000 0.00020 0.00000 0.00000
|
|
105 6PY 0.00007 0.00000 -0.00025 0.00000 0.00000
|
|
106 6PZ 0.00000 0.00077 0.00000 0.00010 0.00002
|
|
107 7PX 0.00008 0.00000 -0.00046 0.00000 0.00000
|
|
108 7PY 0.00000 0.00000 0.00021 0.00000 0.00000
|
|
109 7PZ 0.00000 0.00045 0.00000 0.00005 -0.00001
|
|
110 8D 0 0.00000 0.00000 0.00005 0.00000 0.00000
|
|
111 8D+1 0.00000 -0.00010 0.00000 -0.00001 -0.00001
|
|
112 8D-1 0.00000 0.00001 0.00000 0.00000 0.00000
|
|
113 8D+2 0.00000 0.00000 -0.00005 0.00000 0.00000
|
|
114 8D-2 -0.00001 0.00000 0.00006 0.00000 0.00000
|
|
115 9D 0 0.00000 0.00000 -0.00003 0.00000 0.00000
|
|
116 9D+1 0.00000 -0.00012 0.00000 -0.00001 0.00000
|
|
117 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
118 9D+2 -0.00004 0.00000 0.00013 0.00000 0.00000
|
|
119 9D-2 0.00000 0.00000 -0.00002 0.00000 0.00000
|
|
120 4 H 1S 0.00049 0.00000 -0.00110 0.00000 0.00000
|
|
121 2S 0.00055 0.00000 -0.00162 0.00000 0.00000
|
|
122 3S 0.00043 0.00000 -0.00043 0.00000 0.00000
|
|
123 4S -0.00002 0.00000 0.00007 0.00000 0.00000
|
|
124 5PX 0.00004 0.00000 -0.00007 0.00000 0.00000
|
|
125 5PY -0.00001 0.00000 0.00007 0.00000 0.00000
|
|
126 5PZ 0.00000 -0.00005 0.00000 0.00000 0.00008
|
|
127 6PX 0.00000 0.00000 -0.00003 0.00000 0.00000
|
|
128 6PY 0.00002 0.00000 0.00027 0.00000 0.00000
|
|
129 6PZ 0.00000 -0.00011 0.00000 0.00001 0.00020
|
|
130 7PX 0.00006 0.00000 -0.00002 0.00000 0.00000
|
|
131 7PY 0.00005 0.00000 -0.00004 0.00000 0.00000
|
|
132 7PZ 0.00000 0.00016 0.00000 0.00002 0.00001
|
|
133 8D 0 0.00000 0.00000 0.00002 0.00000 0.00000
|
|
134 8D+1 0.00000 -0.00002 0.00000 0.00000 0.00003
|
|
135 8D-1 0.00000 -0.00001 0.00000 0.00000 -0.00001
|
|
136 8D+2 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
137 8D-2 0.00000 0.00000 0.00004 0.00000 0.00000
|
|
138 9D 0 0.00000 0.00000 -0.00001 0.00000 0.00000
|
|
139 9D+1 0.00000 0.00000 0.00000 0.00000 0.00003
|
|
140 9D-1 0.00000 -0.00003 0.00000 0.00000 -0.00001
|
|
141 9D+2 -0.00001 0.00000 0.00005 0.00000 0.00000
|
|
142 9D-2 0.00001 0.00000 0.00004 0.00000 0.00000
|
|
143 5 H 1S 0.00018 -0.00207 0.00033 0.00005 0.00230
|
|
144 2S 0.00010 -0.00309 0.00025 0.00003 0.00302
|
|
145 3S -0.00041 -0.00355 0.00031 -0.00048 -0.00052
|
|
146 4S -0.00005 -0.00016 0.00002 -0.00003 -0.00011
|
|
147 5PX -0.00001 0.00008 0.00000 -0.00001 -0.00011
|
|
148 5PY -0.00001 0.00003 0.00006 -0.00001 -0.00010
|
|
149 5PZ -0.00002 0.00010 -0.00002 -0.00001 -0.00013
|
|
150 6PX -0.00001 0.00009 0.00006 0.00000 -0.00010
|
|
151 6PY -0.00001 -0.00006 0.00032 -0.00001 -0.00004
|
|
152 6PZ 0.00000 -0.00003 0.00001 0.00000 0.00006
|
|
153 7PX 0.00002 0.00018 0.00009 0.00004 0.00017
|
|
154 7PY 0.00004 0.00002 0.00001 0.00002 0.00014
|
|
155 7PZ 0.00009 0.00036 0.00000 0.00008 0.00031
|
|
156 8D 0 0.00000 -0.00002 0.00003 0.00000 0.00000
|
|
157 8D+1 0.00000 -0.00003 0.00001 0.00000 0.00003
|
|
158 8D-1 0.00000 -0.00001 -0.00003 0.00000 0.00003
|
|
159 8D+2 0.00000 -0.00001 0.00003 0.00000 0.00001
|
|
160 8D-2 0.00000 0.00000 -0.00001 0.00000 0.00002
|
|
161 9D 0 -0.00001 0.00002 0.00005 0.00000 -0.00003
|
|
162 9D+1 0.00000 0.00000 0.00002 0.00000 -0.00002
|
|
163 9D-1 0.00000 0.00002 -0.00003 0.00000 -0.00003
|
|
164 9D+2 0.00000 -0.00001 0.00005 0.00000 0.00001
|
|
165 9D-2 0.00000 0.00001 -0.00002 0.00000 -0.00001
|
|
166 6 H 1S 0.00018 0.00207 0.00033 -0.00005 -0.00230
|
|
167 2S 0.00010 0.00309 0.00025 -0.00003 -0.00302
|
|
168 3S -0.00041 0.00355 0.00031 0.00048 0.00052
|
|
169 4S -0.00005 0.00016 0.00002 0.00003 0.00011
|
|
170 5PX -0.00001 -0.00008 0.00000 0.00001 0.00011
|
|
171 5PY -0.00001 -0.00003 0.00006 0.00001 0.00010
|
|
172 5PZ 0.00002 0.00010 0.00002 -0.00001 -0.00013
|
|
173 6PX -0.00001 -0.00009 0.00006 0.00000 0.00010
|
|
174 6PY -0.00001 0.00006 0.00032 0.00001 0.00004
|
|
175 6PZ 0.00000 -0.00003 -0.00001 0.00000 0.00006
|
|
176 7PX 0.00002 -0.00018 0.00009 -0.00004 -0.00017
|
|
177 7PY 0.00004 -0.00002 0.00001 -0.00002 -0.00014
|
|
178 7PZ -0.00009 0.00036 0.00000 0.00008 0.00031
|
|
179 8D 0 0.00000 0.00002 0.00003 0.00000 0.00000
|
|
180 8D+1 0.00000 -0.00003 -0.00001 0.00000 0.00003
|
|
181 8D-1 0.00000 -0.00001 0.00003 0.00000 0.00003
|
|
182 8D+2 0.00000 0.00001 0.00003 0.00000 -0.00001
|
|
183 8D-2 0.00000 0.00000 -0.00001 0.00000 -0.00002
|
|
184 9D 0 -0.00001 -0.00002 0.00005 0.00000 0.00003
|
|
185 9D+1 0.00000 0.00000 -0.00002 0.00000 -0.00002
|
|
186 9D-1 0.00000 0.00002 0.00003 0.00000 -0.00003
|
|
187 9D+2 0.00000 0.00001 0.00005 0.00000 -0.00001
|
|
188 9D-2 0.00000 -0.00001 -0.00002 0.00000 0.00001
|
|
71 72 73 74 75
|
|
71 12D+2 0.00430
|
|
72 12D-2 -0.00065 0.00042
|
|
73 13D 0 -0.00023 0.00013 0.00100
|
|
74 13D+1 0.00000 0.00000 0.00000 0.00003
|
|
75 13D-1 0.00000 0.00000 0.00000 0.00002 0.00021
|
|
76 13D+2 0.00395 -0.00061 -0.00028 0.00000 0.00000
|
|
77 13D-2 -0.00069 0.00038 0.00018 0.00000 0.00000
|
|
78 14D 0 -0.00005 -0.00001 0.00029 0.00000 0.00000
|
|
79 14D+1 0.00000 0.00000 0.00000 0.00002 -0.00001
|
|
80 14D-1 0.00000 0.00000 0.00000 0.00004 -0.00004
|
|
81 14D+2 0.00079 -0.00013 -0.00015 0.00000 0.00000
|
|
82 14D-2 -0.00007 -0.00014 -0.00029 0.00000 0.00000
|
|
83 15F 0 0.00000 0.00000 0.00000 -0.00003 -0.00006
|
|
84 15F+1 -0.00059 0.00007 0.00026 0.00000 0.00000
|
|
85 15F-1 0.00053 -0.00006 0.00017 0.00000 0.00000
|
|
86 15F+2 0.00000 0.00000 0.00000 0.00000 -0.00007
|
|
87 15F-2 0.00000 0.00000 0.00000 -0.00001 0.00001
|
|
88 15F+3 0.00055 -0.00021 -0.00026 0.00000 0.00000
|
|
89 15F-3 0.00020 -0.00001 0.00028 0.00000 0.00000
|
|
90 16F 0 0.00000 0.00000 0.00000 -0.00002 -0.00001
|
|
91 16F+1 -0.00008 0.00001 0.00003 0.00000 0.00000
|
|
92 16F-1 0.00000 0.00000 0.00005 0.00000 0.00000
|
|
93 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
94 16F-2 0.00000 0.00000 0.00000 -0.00001 0.00000
|
|
95 16F+3 0.00017 -0.00002 0.00000 0.00000 0.00000
|
|
96 16F-3 0.00009 0.00000 -0.00005 0.00000 0.00000
|
|
97 3 H 1S 0.00905 -0.00155 -0.00404 0.00000 0.00000
|
|
98 2S 0.01345 -0.00245 -0.00653 0.00000 0.00000
|
|
99 3S 0.00568 -0.00115 -0.00155 0.00000 0.00000
|
|
100 4S 0.00068 -0.00013 -0.00005 0.00000 0.00000
|
|
101 5PX -0.00071 0.00011 0.00030 0.00000 0.00000
|
|
102 5PY -0.00005 0.00001 -0.00013 0.00000 0.00000
|
|
103 5PZ 0.00000 0.00000 0.00000 0.00003 0.00001
|
|
104 6PX -0.00029 0.00003 0.00026 0.00000 0.00000
|
|
105 6PY -0.00040 0.00006 -0.00025 0.00000 0.00000
|
|
106 6PZ 0.00000 0.00000 0.00000 0.00010 0.00003
|
|
107 7PX 0.00033 -0.00007 -0.00048 0.00000 0.00000
|
|
108 7PY 0.00026 0.00010 0.00023 0.00000 0.00000
|
|
109 7PZ 0.00000 0.00000 0.00000 0.00006 -0.00001
|
|
110 8D 0 -0.00005 0.00000 0.00005 0.00000 0.00000
|
|
111 8D+1 0.00000 0.00000 0.00000 -0.00001 -0.00001
|
|
112 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
113 8D+2 0.00012 -0.00001 -0.00006 0.00000 0.00000
|
|
114 8D-2 0.00007 -0.00001 0.00007 0.00000 0.00000
|
|
115 9D 0 0.00002 -0.00001 -0.00003 0.00000 0.00000
|
|
116 9D+1 0.00000 0.00000 0.00000 -0.00002 0.00000
|
|
117 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
118 9D+2 -0.00031 0.00004 0.00012 0.00000 0.00000
|
|
119 9D-2 0.00015 -0.00004 -0.00003 0.00000 0.00000
|
|
120 4 H 1S 0.00115 -0.00326 -0.00079 0.00000 0.00000
|
|
121 2S 0.00095 -0.00406 -0.00128 0.00000 0.00000
|
|
122 3S 0.00263 0.00062 -0.00030 0.00000 0.00000
|
|
123 4S -0.00064 0.00024 0.00006 0.00000 0.00000
|
|
124 5PX 0.00006 -0.00025 -0.00005 0.00000 0.00000
|
|
125 5PY 0.00019 0.00007 0.00007 0.00000 0.00000
|
|
126 5PZ 0.00000 0.00000 0.00000 0.00000 0.00007
|
|
127 6PX -0.00008 0.00001 -0.00002 0.00000 0.00000
|
|
128 6PY 0.00068 -0.00008 0.00032 0.00000 0.00000
|
|
129 6PZ 0.00000 0.00000 0.00000 0.00001 0.00018
|
|
130 7PX 0.00035 0.00050 -0.00003 0.00000 0.00000
|
|
131 7PY -0.00006 -0.00013 -0.00001 0.00000 0.00000
|
|
132 7PZ 0.00000 0.00000 0.00000 0.00002 0.00002
|
|
133 8D 0 0.00001 0.00002 0.00001 0.00000 0.00000
|
|
134 8D+1 0.00000 0.00000 0.00000 0.00000 0.00003
|
|
135 8D-1 0.00000 0.00000 0.00000 0.00000 -0.00001
|
|
136 8D+2 0.00009 -0.00005 0.00001 0.00000 0.00000
|
|
137 8D-2 0.00010 0.00002 0.00004 0.00000 0.00000
|
|
138 9D 0 0.00000 -0.00003 0.00000 0.00000 0.00000
|
|
139 9D+1 0.00000 0.00000 0.00000 0.00000 0.00002
|
|
140 9D-1 0.00000 0.00000 0.00000 -0.00001 -0.00001
|
|
141 9D+2 0.00024 0.00000 0.00005 0.00000 0.00000
|
|
142 9D-2 0.00001 -0.00004 0.00005 0.00000 0.00000
|
|
143 5 H 1S -0.00040 0.00134 0.00054 -0.00002 0.00204
|
|
144 2S -0.00165 0.00203 0.00043 -0.00008 0.00267
|
|
145 3S -0.00240 -0.00003 0.00018 -0.00053 -0.00051
|
|
146 4S -0.00009 -0.00004 -0.00001 -0.00003 -0.00010
|
|
147 5PX -0.00002 0.00002 -0.00001 0.00000 -0.00010
|
|
148 5PY 0.00017 -0.00007 0.00005 -0.00001 -0.00009
|
|
149 5PZ 0.00002 -0.00012 -0.00004 0.00000 -0.00012
|
|
150 6PX -0.00004 0.00020 0.00005 0.00000 -0.00009
|
|
151 6PY 0.00091 -0.00014 0.00036 -0.00001 -0.00003
|
|
152 6PZ 0.00017 -0.00014 0.00001 0.00000 0.00005
|
|
153 7PX 0.00057 0.00010 0.00011 0.00004 0.00016
|
|
154 7PY 0.00007 0.00012 0.00003 0.00002 0.00013
|
|
155 7PZ 0.00035 0.00009 0.00004 0.00008 0.00028
|
|
156 8D 0 0.00003 0.00003 0.00003 0.00000 0.00000
|
|
157 8D+1 0.00001 -0.00001 0.00001 0.00000 0.00003
|
|
158 8D-1 -0.00008 0.00003 -0.00003 0.00000 0.00002
|
|
159 8D+2 0.00007 -0.00002 0.00003 0.00000 0.00000
|
|
160 8D-2 -0.00005 0.00000 -0.00001 0.00000 0.00002
|
|
161 9D 0 0.00009 0.00001 0.00005 0.00000 -0.00003
|
|
162 9D+1 0.00006 -0.00003 0.00001 0.00000 -0.00002
|
|
163 9D-1 -0.00004 0.00000 -0.00004 0.00000 -0.00002
|
|
164 9D+2 0.00011 -0.00003 0.00006 0.00000 0.00001
|
|
165 9D-2 -0.00007 -0.00002 -0.00003 0.00000 -0.00001
|
|
166 6 H 1S -0.00040 0.00134 0.00054 0.00002 -0.00204
|
|
167 2S -0.00165 0.00203 0.00043 0.00008 -0.00267
|
|
168 3S -0.00240 -0.00003 0.00018 0.00053 0.00051
|
|
169 4S -0.00009 -0.00004 -0.00001 0.00003 0.00010
|
|
170 5PX -0.00002 0.00002 -0.00001 0.00000 0.00010
|
|
171 5PY 0.00017 -0.00007 0.00005 0.00001 0.00009
|
|
172 5PZ -0.00002 0.00012 0.00004 0.00000 -0.00012
|
|
173 6PX -0.00004 0.00020 0.00005 0.00000 0.00009
|
|
174 6PY 0.00091 -0.00014 0.00036 0.00001 0.00003
|
|
175 6PZ -0.00017 0.00014 -0.00001 0.00000 0.00005
|
|
176 7PX 0.00057 0.00010 0.00011 -0.00004 -0.00016
|
|
177 7PY 0.00007 0.00012 0.00003 -0.00002 -0.00013
|
|
178 7PZ -0.00035 -0.00009 -0.00004 0.00008 0.00028
|
|
179 8D 0 0.00003 0.00003 0.00003 0.00000 0.00000
|
|
180 8D+1 -0.00001 0.00001 -0.00001 0.00000 0.00003
|
|
181 8D-1 0.00008 -0.00003 0.00003 0.00000 0.00002
|
|
182 8D+2 0.00007 -0.00002 0.00003 0.00000 0.00000
|
|
183 8D-2 -0.00005 0.00000 -0.00001 0.00000 -0.00002
|
|
184 9D 0 0.00009 0.00001 0.00005 0.00000 0.00003
|
|
185 9D+1 -0.00006 0.00003 -0.00001 0.00000 -0.00002
|
|
186 9D-1 0.00004 0.00000 0.00004 0.00000 -0.00002
|
|
187 9D+2 0.00011 -0.00003 0.00006 0.00000 -0.00001
|
|
188 9D-2 -0.00007 -0.00002 -0.00003 0.00000 0.00001
|
|
76 77 78 79 80
|
|
76 13D+2 0.00368
|
|
77 13D-2 -0.00065 0.00037
|
|
78 14D 0 -0.00006 0.00000 0.00021
|
|
79 14D+1 0.00000 0.00000 0.00000 0.00001
|
|
80 14D-1 0.00000 0.00000 0.00000 0.00003 0.00007
|
|
81 14D+2 0.00073 -0.00014 -0.00004 0.00000 0.00000
|
|
82 14D-2 -0.00005 -0.00013 -0.00009 0.00000 0.00000
|
|
83 15F 0 0.00000 0.00000 0.00000 -0.00002 -0.00003
|
|
84 15F+1 -0.00056 0.00010 0.00007 0.00000 0.00000
|
|
85 15F-1 0.00048 -0.00005 0.00004 0.00000 0.00000
|
|
86 15F+2 0.00000 0.00000 0.00000 0.00001 0.00002
|
|
87 15F-2 0.00000 0.00000 0.00000 -0.00001 -0.00002
|
|
88 15F+3 0.00052 -0.00021 -0.00004 0.00000 0.00000
|
|
89 15F-3 0.00016 0.00001 0.00005 0.00000 0.00000
|
|
90 16F 0 0.00000 0.00000 0.00000 -0.00001 -0.00003
|
|
91 16F+1 -0.00007 0.00001 0.00002 0.00000 0.00000
|
|
92 16F-1 0.00000 0.00000 0.00002 0.00000 0.00000
|
|
93 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
94 16F-2 0.00000 0.00000 0.00000 -0.00001 -0.00001
|
|
95 16F+3 0.00015 -0.00003 0.00000 0.00000 0.00000
|
|
96 16F-3 0.00008 -0.00001 0.00001 0.00000 0.00000
|
|
97 3 H 1S 0.00864 -0.00189 -0.00080 0.00000 0.00000
|
|
98 2S 0.01289 -0.00292 -0.00152 0.00000 0.00000
|
|
99 3S 0.00538 -0.00121 -0.00060 0.00000 0.00000
|
|
100 4S 0.00065 -0.00012 -0.00007 0.00000 0.00000
|
|
101 5PX -0.00067 0.00014 0.00002 0.00000 0.00000
|
|
102 5PY -0.00004 0.00000 -0.00004 0.00000 0.00000
|
|
103 5PZ 0.00000 0.00000 0.00000 0.00002 0.00004
|
|
104 6PX -0.00030 0.00006 -0.00003 0.00000 0.00000
|
|
105 6PY -0.00036 0.00005 -0.00010 0.00000 0.00000
|
|
106 6PZ 0.00000 0.00000 0.00000 0.00007 0.00015
|
|
107 7PX 0.00034 -0.00011 -0.00011 0.00000 0.00000
|
|
108 7PY 0.00024 0.00011 0.00001 0.00000 0.00000
|
|
109 7PZ 0.00000 0.00000 0.00000 0.00004 0.00009
|
|
110 8D 0 -0.00005 0.00001 0.00001 0.00000 0.00000
|
|
111 8D+1 0.00000 0.00000 0.00000 -0.00001 -0.00002
|
|
112 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
113 8D+2 0.00012 -0.00002 0.00000 0.00000 0.00000
|
|
114 8D-2 0.00006 -0.00001 0.00002 0.00000 0.00000
|
|
115 9D 0 0.00002 -0.00001 0.00000 0.00000 0.00000
|
|
116 9D+1 0.00000 0.00000 0.00000 -0.00001 -0.00002
|
|
117 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
118 9D+2 -0.00030 0.00005 0.00004 0.00000 0.00000
|
|
119 9D-2 0.00014 -0.00004 0.00000 0.00000 0.00000
|
|
120 4 H 1S 0.00135 -0.00290 0.00004 0.00000 0.00000
|
|
121 2S 0.00125 -0.00365 0.00006 0.00000 0.00000
|
|
122 3S 0.00257 0.00048 -0.00048 0.00000 0.00000
|
|
123 4S -0.00060 0.00023 -0.00001 0.00000 0.00000
|
|
124 5PX 0.00009 -0.00022 0.00001 0.00000 0.00000
|
|
125 5PY 0.00017 0.00006 0.00000 0.00000 0.00000
|
|
126 5PZ 0.00000 0.00000 0.00000 -0.00001 -0.00002
|
|
127 6PX -0.00006 0.00001 0.00000 0.00000 0.00000
|
|
128 6PY 0.00063 -0.00005 0.00003 0.00000 0.00000
|
|
129 6PZ 0.00000 0.00000 0.00000 -0.00002 -0.00004
|
|
130 7PX 0.00033 0.00043 -0.00013 0.00000 0.00000
|
|
131 7PY -0.00005 -0.00011 -0.00003 0.00000 0.00000
|
|
132 7PZ 0.00000 0.00000 0.00000 0.00001 0.00003
|
|
133 8D 0 0.00001 0.00002 0.00000 0.00000 0.00000
|
|
134 8D+1 0.00000 0.00000 0.00000 0.00000 -0.00001
|
|
135 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
136 8D+2 0.00009 -0.00004 0.00000 0.00000 0.00000
|
|
137 8D-2 0.00009 0.00002 0.00000 0.00000 0.00000
|
|
138 9D 0 0.00001 -0.00003 0.00001 0.00000 0.00000
|
|
139 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
140 9D-1 0.00000 0.00000 0.00000 0.00000 -0.00001
|
|
141 9D+2 0.00021 0.00000 0.00001 0.00000 0.00000
|
|
142 9D-2 0.00002 -0.00003 0.00001 0.00000 0.00000
|
|
143 5 H 1S -0.00008 0.00119 -0.00013 -0.00027 -0.00066
|
|
144 2S -0.00116 0.00177 -0.00014 -0.00039 -0.00094
|
|
145 3S -0.00227 -0.00002 0.00038 -0.00029 -0.00066
|
|
146 4S -0.00009 -0.00004 0.00005 -0.00001 -0.00002
|
|
147 5PX -0.00003 0.00002 0.00000 0.00001 0.00003
|
|
148 5PY 0.00015 -0.00007 0.00002 0.00001 0.00002
|
|
149 5PZ -0.00001 -0.00011 0.00002 0.00001 0.00003
|
|
150 6PX -0.00004 0.00018 -0.00001 0.00001 0.00003
|
|
151 6PY 0.00083 -0.00012 0.00007 0.00000 -0.00001
|
|
152 6PZ 0.00014 -0.00012 0.00001 0.00000 -0.00001
|
|
153 7PX 0.00055 0.00008 -0.00001 0.00001 0.00002
|
|
154 7PY 0.00008 0.00011 -0.00004 0.00000 -0.00001
|
|
155 7PZ 0.00035 0.00008 -0.00007 0.00002 0.00004
|
|
156 8D 0 0.00003 0.00003 0.00000 0.00000 0.00000
|
|
157 8D+1 0.00002 -0.00001 0.00000 0.00000 -0.00001
|
|
158 8D-1 -0.00007 0.00003 -0.00001 0.00000 0.00000
|
|
159 8D+2 0.00006 -0.00002 0.00001 0.00000 0.00000
|
|
160 8D-2 -0.00004 0.00000 0.00000 0.00000 0.00000
|
|
161 9D 0 0.00008 0.00001 0.00001 0.00000 0.00001
|
|
162 9D+1 0.00004 -0.00003 0.00001 0.00000 0.00000
|
|
163 9D-1 -0.00005 0.00000 -0.00001 0.00000 0.00001
|
|
164 9D+2 0.00010 -0.00002 0.00001 0.00000 0.00000
|
|
165 9D-2 -0.00007 -0.00001 0.00000 0.00000 0.00000
|
|
166 6 H 1S -0.00008 0.00119 -0.00013 0.00027 0.00066
|
|
167 2S -0.00116 0.00177 -0.00014 0.00039 0.00094
|
|
168 3S -0.00227 -0.00002 0.00038 0.00029 0.00066
|
|
169 4S -0.00009 -0.00004 0.00005 0.00001 0.00002
|
|
170 5PX -0.00003 0.00002 0.00000 -0.00001 -0.00003
|
|
171 5PY 0.00015 -0.00007 0.00002 -0.00001 -0.00002
|
|
172 5PZ 0.00001 0.00011 -0.00002 0.00001 0.00003
|
|
173 6PX -0.00004 0.00018 -0.00001 -0.00001 -0.00003
|
|
174 6PY 0.00083 -0.00012 0.00007 0.00000 0.00001
|
|
175 6PZ -0.00014 0.00012 -0.00001 0.00000 -0.00001
|
|
176 7PX 0.00055 0.00008 -0.00001 -0.00001 -0.00002
|
|
177 7PY 0.00008 0.00011 -0.00004 0.00000 0.00001
|
|
178 7PZ -0.00035 -0.00008 0.00007 0.00002 0.00004
|
|
179 8D 0 0.00003 0.00003 0.00000 0.00000 0.00000
|
|
180 8D+1 -0.00002 0.00001 0.00000 0.00000 -0.00001
|
|
181 8D-1 0.00007 -0.00003 0.00001 0.00000 0.00000
|
|
182 8D+2 0.00006 -0.00002 0.00001 0.00000 0.00000
|
|
183 8D-2 -0.00004 0.00000 0.00000 0.00000 0.00000
|
|
184 9D 0 0.00008 0.00001 0.00001 0.00000 -0.00001
|
|
185 9D+1 -0.00004 0.00003 -0.00001 0.00000 0.00000
|
|
186 9D-1 0.00005 0.00000 0.00001 0.00000 0.00001
|
|
187 9D+2 0.00010 -0.00002 0.00001 0.00000 0.00000
|
|
188 9D-2 -0.00007 -0.00001 0.00000 0.00000 0.00000
|
|
81 82 83 84 85
|
|
81 14D+2 0.00016
|
|
82 14D-2 0.00002 0.00015
|
|
83 15F 0 0.00000 0.00000 0.00005
|
|
84 15F+1 -0.00013 -0.00004 0.00000 0.00014
|
|
85 15F-1 0.00008 -0.00007 0.00000 -0.00003 0.00011
|
|
86 15F+2 0.00000 0.00000 0.00002 0.00000 0.00000
|
|
87 15F-2 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
88 15F+3 0.00012 0.00010 0.00000 -0.00012 0.00002
|
|
89 15F-3 0.00001 -0.00008 0.00000 0.00004 0.00008
|
|
90 16F 0 0.00000 0.00000 0.00003 0.00000 0.00000
|
|
91 16F+1 -0.00002 -0.00001 0.00000 0.00002 -0.00001
|
|
92 16F-1 0.00000 -0.00001 0.00000 0.00001 0.00001
|
|
93 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
94 16F-2 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
95 16F+3 0.00003 -0.00001 0.00000 -0.00002 0.00002
|
|
96 16F-3 0.00003 0.00001 0.00000 -0.00003 0.00000
|
|
97 3 H 1S 0.00203 0.00076 0.00000 -0.00212 0.00040
|
|
98 2S 0.00307 0.00136 0.00000 -0.00324 0.00051
|
|
99 3S 0.00112 0.00031 0.00000 -0.00104 0.00048
|
|
100 4S 0.00011 -0.00001 0.00000 -0.00009 0.00009
|
|
101 5PX -0.00016 -0.00004 0.00000 0.00017 -0.00003
|
|
102 5PY 0.00001 0.00004 0.00000 -0.00002 -0.00003
|
|
103 5PZ 0.00000 0.00000 -0.00003 0.00000 0.00000
|
|
104 6PX -0.00008 -0.00003 0.00000 0.00011 0.00002
|
|
105 6PY -0.00004 0.00009 0.00000 -0.00001 -0.00010
|
|
106 6PZ 0.00000 0.00000 -0.00011 0.00000 0.00000
|
|
107 7PX 0.00012 0.00013 0.00000 -0.00016 -0.00005
|
|
108 7PY 0.00001 -0.00013 0.00000 0.00001 0.00009
|
|
109 7PZ 0.00000 0.00000 -0.00006 0.00000 0.00000
|
|
110 8D 0 -0.00001 -0.00001 0.00000 0.00002 0.00000
|
|
111 8D+1 0.00000 0.00000 0.00002 0.00000 0.00000
|
|
112 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
113 8D+2 0.00003 0.00001 0.00000 -0.00003 0.00000
|
|
114 8D-2 0.00000 -0.00002 0.00000 0.00001 0.00002
|
|
115 9D 0 0.00001 0.00001 0.00000 -0.00001 0.00000
|
|
116 9D+1 0.00000 0.00000 0.00002 0.00000 0.00000
|
|
117 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
118 9D+2 -0.00007 -0.00002 0.00000 0.00007 -0.00002
|
|
119 9D-2 0.00003 0.00001 0.00000 -0.00002 0.00001
|
|
120 4 H 1S 0.00005 0.00109 0.00000 0.00000 0.00001
|
|
121 2S 0.00002 0.00150 0.00000 -0.00001 -0.00012
|
|
122 3S 0.00048 -0.00041 0.00000 -0.00052 0.00035
|
|
123 4S -0.00011 -0.00005 0.00000 0.00008 -0.00007
|
|
124 5PX -0.00001 0.00007 0.00000 0.00001 0.00000
|
|
125 5PY 0.00003 -0.00006 0.00000 -0.00002 0.00004
|
|
126 5PZ 0.00000 0.00000 -0.00002 0.00000 0.00000
|
|
127 6PX -0.00002 -0.00001 0.00000 0.00000 -0.00001
|
|
128 6PY 0.00007 -0.00013 0.00000 -0.00001 0.00017
|
|
129 6PZ 0.00000 0.00000 -0.00004 0.00000 0.00000
|
|
130 7PX 0.00009 -0.00019 0.00000 -0.00011 0.00005
|
|
131 7PY -0.00002 0.00006 0.00000 0.00002 -0.00001
|
|
132 7PZ 0.00000 0.00000 -0.00003 0.00000 0.00000
|
|
133 8D 0 0.00000 -0.00001 0.00000 0.00000 0.00000
|
|
134 8D+1 0.00000 0.00000 -0.00001 0.00000 0.00000
|
|
135 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
136 8D+2 0.00001 0.00000 0.00000 0.00000 0.00002
|
|
137 8D-2 0.00001 -0.00003 0.00000 -0.00001 0.00002
|
|
138 9D 0 -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
139 9D+1 0.00000 0.00000 -0.00001 0.00000 0.00000
|
|
140 9D-1 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
141 9D+2 0.00004 -0.00003 0.00000 -0.00002 0.00004
|
|
142 9D-2 -0.00001 -0.00001 0.00000 0.00002 0.00001
|
|
143 5 H 1S -0.00035 -0.00095 -0.00042 -0.00003 0.00016
|
|
144 2S -0.00059 -0.00113 -0.00050 0.00002 -0.00002
|
|
145 3S -0.00042 0.00018 0.00065 0.00037 -0.00033
|
|
146 4S -0.00001 0.00002 0.00006 0.00001 -0.00002
|
|
147 5PX 0.00001 0.00001 0.00002 0.00000 -0.00001
|
|
148 5PY 0.00003 0.00001 0.00003 0.00000 0.00003
|
|
149 5PZ 0.00003 0.00008 0.00003 0.00001 -0.00002
|
|
150 6PX -0.00001 -0.00008 0.00002 -0.00001 0.00001
|
|
151 6PY 0.00011 -0.00014 0.00002 -0.00003 0.00020
|
|
152 6PZ 0.00004 0.00005 -0.00001 0.00000 0.00002
|
|
153 7PX 0.00007 -0.00014 -0.00008 -0.00007 0.00011
|
|
154 7PY -0.00001 -0.00008 -0.00005 -0.00002 0.00002
|
|
155 7PZ 0.00003 -0.00011 -0.00015 -0.00005 0.00007
|
|
156 8D 0 0.00000 -0.00003 0.00000 0.00000 0.00001
|
|
157 8D+1 0.00000 -0.00001 -0.00001 0.00000 0.00001
|
|
158 8D-1 -0.00001 0.00000 -0.00001 0.00000 -0.00002
|
|
159 8D+2 0.00001 -0.00001 0.00000 0.00000 0.00002
|
|
160 8D-2 -0.00001 0.00001 -0.00001 0.00000 -0.00001
|
|
161 9D 0 0.00001 -0.00002 0.00001 0.00000 0.00002
|
|
162 9D+1 0.00002 0.00001 0.00001 0.00000 0.00001
|
|
163 9D-1 0.00000 0.00002 0.00000 0.00000 -0.00002
|
|
164 9D+2 0.00001 -0.00002 0.00000 0.00000 0.00003
|
|
165 9D-2 -0.00001 0.00002 0.00000 0.00001 -0.00002
|
|
166 6 H 1S -0.00035 -0.00095 0.00042 -0.00003 0.00016
|
|
167 2S -0.00059 -0.00113 0.00050 0.00002 -0.00002
|
|
168 3S -0.00042 0.00018 -0.00065 0.00037 -0.00033
|
|
169 4S -0.00001 0.00002 -0.00006 0.00001 -0.00002
|
|
170 5PX 0.00001 0.00001 -0.00002 0.00000 -0.00001
|
|
171 5PY 0.00003 0.00001 -0.00003 0.00000 0.00003
|
|
172 5PZ -0.00003 -0.00008 0.00003 -0.00001 0.00002
|
|
173 6PX -0.00001 -0.00008 -0.00002 -0.00001 0.00001
|
|
174 6PY 0.00011 -0.00014 -0.00002 -0.00003 0.00020
|
|
175 6PZ -0.00004 -0.00005 -0.00001 0.00000 -0.00002
|
|
176 7PX 0.00007 -0.00014 0.00008 -0.00007 0.00011
|
|
177 7PY -0.00001 -0.00008 0.00005 -0.00002 0.00002
|
|
178 7PZ -0.00003 0.00011 -0.00015 0.00005 -0.00007
|
|
179 8D 0 0.00000 -0.00003 0.00000 0.00000 0.00001
|
|
180 8D+1 0.00000 0.00001 -0.00001 0.00000 -0.00001
|
|
181 8D-1 0.00001 0.00000 -0.00001 0.00000 0.00002
|
|
182 8D+2 0.00001 -0.00001 0.00000 0.00000 0.00002
|
|
183 8D-2 -0.00001 0.00001 0.00001 0.00000 -0.00001
|
|
184 9D 0 0.00001 -0.00002 -0.00001 0.00000 0.00002
|
|
185 9D+1 -0.00002 -0.00001 0.00001 0.00000 -0.00001
|
|
186 9D-1 0.00000 -0.00002 0.00000 0.00000 0.00002
|
|
187 9D+2 0.00001 -0.00002 0.00000 0.00000 0.00003
|
|
188 9D-2 -0.00001 0.00002 0.00000 0.00001 -0.00002
|
|
86 87 88 89 90
|
|
86 15F+2 0.00002
|
|
87 15F-2 0.00000 0.00000
|
|
88 15F+3 0.00000 0.00000 0.00016
|
|
89 15F-3 0.00000 0.00000 -0.00004 0.00010
|
|
90 16F 0 0.00000 0.00001 0.00000 0.00000 0.00002
|
|
91 16F+1 0.00000 0.00000 -0.00001 0.00000 0.00000
|
|
92 16F-1 0.00000 0.00000 -0.00001 0.00001 0.00000
|
|
93 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
94 16F-2 0.00000 0.00000 0.00000 0.00000 0.00001
|
|
95 16F+3 0.00000 0.00000 0.00002 0.00001 0.00000
|
|
96 16F-3 0.00000 0.00000 0.00002 -0.00001 0.00000
|
|
97 3 H 1S 0.00000 0.00000 0.00198 -0.00071 0.00000
|
|
98 2S 0.00000 0.00000 0.00306 -0.00116 0.00000
|
|
99 3S 0.00000 0.00000 0.00103 -0.00005 0.00000
|
|
100 4S 0.00000 0.00000 0.00009 0.00004 0.00000
|
|
101 5PX 0.00000 0.00000 -0.00015 0.00006 0.00000
|
|
102 5PY 0.00000 0.00000 0.00002 -0.00004 0.00000
|
|
103 5PZ 0.00000 -0.00001 0.00000 0.00000 -0.00002
|
|
104 6PX 0.00000 0.00000 -0.00010 0.00009 0.00000
|
|
105 6PY 0.00000 0.00000 0.00000 -0.00009 0.00000
|
|
106 6PZ 0.00001 -0.00004 0.00000 0.00000 -0.00008
|
|
107 7PX 0.00000 0.00000 0.00015 -0.00013 0.00000
|
|
108 7PY 0.00000 0.00000 -0.00007 0.00009 0.00000
|
|
109 7PZ 0.00001 -0.00002 0.00000 0.00000 -0.00005
|
|
110 8D 0 0.00000 0.00000 -0.00002 0.00002 0.00000
|
|
111 8D+1 0.00000 0.00000 0.00000 0.00000 0.00001
|
|
112 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
113 8D+2 0.00000 0.00000 0.00003 -0.00001 0.00000
|
|
114 8D-2 0.00000 0.00000 0.00000 0.00002 0.00000
|
|
115 9D 0 0.00000 0.00000 0.00001 -0.00001 0.00000
|
|
116 9D+1 0.00000 0.00001 0.00000 0.00000 0.00001
|
|
117 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
118 9D+2 0.00000 0.00000 -0.00006 0.00002 0.00000
|
|
119 9D-2 0.00000 0.00000 0.00003 0.00000 0.00000
|
|
120 4 H 1S 0.00000 0.00000 0.00128 -0.00008 0.00000
|
|
121 2S 0.00000 0.00000 0.00165 -0.00024 0.00000
|
|
122 3S 0.00000 0.00000 -0.00002 0.00011 0.00000
|
|
123 4S 0.00000 0.00000 -0.00014 -0.00002 0.00000
|
|
124 5PX 0.00000 0.00000 0.00009 0.00000 0.00000
|
|
125 5PY 0.00000 0.00000 -0.00003 0.00003 0.00000
|
|
126 5PZ -0.00002 0.00000 0.00000 0.00000 0.00000
|
|
127 6PX 0.00000 0.00000 0.00000 -0.00001 0.00000
|
|
128 6PY 0.00000 0.00000 -0.00001 0.00015 0.00000
|
|
129 6PZ -0.00006 0.00001 0.00000 0.00000 0.00000
|
|
130 7PX 0.00000 0.00000 -0.00015 0.00002 0.00000
|
|
131 7PY 0.00000 0.00000 0.00003 0.00001 0.00000
|
|
132 7PZ 0.00000 -0.00001 0.00000 0.00000 -0.00002
|
|
133 8D 0 0.00000 0.00000 -0.00001 0.00000 0.00000
|
|
134 8D+1 -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
135 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
136 8D+2 0.00000 0.00000 0.00002 0.00001 0.00000
|
|
137 8D-2 0.00000 0.00000 -0.00001 0.00002 0.00000
|
|
138 9D 0 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
139 9D+1 -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
140 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
141 9D+2 0.00000 0.00000 0.00001 0.00003 0.00000
|
|
142 9D-2 0.00000 0.00000 0.00000 0.00002 0.00000
|
|
143 5 H 1S -0.00072 0.00014 -0.00063 0.00009 0.00008
|
|
144 2S -0.00095 0.00020 -0.00091 -0.00007 0.00014
|
|
145 3S 0.00009 0.00017 -0.00012 -0.00016 0.00040
|
|
146 4S 0.00003 0.00001 0.00002 -0.00002 0.00002
|
|
147 5PX 0.00003 -0.00001 -0.00001 0.00000 0.00000
|
|
148 5PY 0.00003 0.00000 0.00003 0.00003 0.00000
|
|
149 5PZ 0.00004 -0.00001 0.00005 -0.00001 0.00000
|
|
150 6PX 0.00003 -0.00001 -0.00008 0.00001 0.00000
|
|
151 6PY 0.00001 0.00000 0.00003 0.00017 0.00001
|
|
152 6PZ -0.00002 0.00000 0.00006 0.00002 0.00000
|
|
153 7PX -0.00005 -0.00001 -0.00002 0.00006 -0.00003
|
|
154 7PY -0.00004 0.00000 -0.00005 0.00002 -0.00001
|
|
155 7PZ -0.00008 -0.00001 -0.00003 0.00004 -0.00006
|
|
156 8D 0 0.00000 0.00000 -0.00001 0.00001 0.00000
|
|
157 8D+1 -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
158 8D-1 -0.00001 0.00000 -0.00001 -0.00002 0.00000
|
|
159 8D+2 0.00000 0.00000 0.00001 0.00001 0.00000
|
|
160 8D-2 -0.00001 0.00000 0.00000 -0.00001 0.00000
|
|
161 9D 0 0.00001 0.00000 -0.00001 0.00002 0.00000
|
|
162 9D+1 0.00001 0.00000 0.00001 0.00001 0.00000
|
|
163 9D-1 0.00001 0.00000 0.00001 -0.00001 0.00000
|
|
164 9D+2 0.00000 0.00000 0.00000 0.00002 0.00000
|
|
165 9D-2 0.00000 0.00000 0.00001 -0.00001 0.00000
|
|
166 6 H 1S 0.00072 -0.00014 -0.00063 0.00009 -0.00008
|
|
167 2S 0.00095 -0.00020 -0.00091 -0.00007 -0.00014
|
|
168 3S -0.00009 -0.00017 -0.00012 -0.00016 -0.00040
|
|
169 4S -0.00003 -0.00001 0.00002 -0.00002 -0.00002
|
|
170 5PX -0.00003 0.00001 -0.00001 0.00000 0.00000
|
|
171 5PY -0.00003 0.00000 0.00003 0.00003 0.00000
|
|
172 5PZ 0.00004 -0.00001 -0.00005 0.00001 0.00000
|
|
173 6PX -0.00003 0.00001 -0.00008 0.00001 0.00000
|
|
174 6PY -0.00001 0.00000 0.00003 0.00017 -0.00001
|
|
175 6PZ -0.00002 0.00000 -0.00006 -0.00002 0.00000
|
|
176 7PX 0.00005 0.00001 -0.00002 0.00006 0.00003
|
|
177 7PY 0.00004 0.00000 -0.00005 0.00002 0.00001
|
|
178 7PZ -0.00008 -0.00001 0.00003 -0.00004 -0.00006
|
|
179 8D 0 0.00000 0.00000 -0.00001 0.00001 0.00000
|
|
180 8D+1 -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
181 8D-1 -0.00001 0.00000 0.00001 0.00002 0.00000
|
|
182 8D+2 0.00000 0.00000 0.00001 0.00001 0.00000
|
|
183 8D-2 0.00001 0.00000 0.00000 -0.00001 0.00000
|
|
184 9D 0 -0.00001 0.00000 -0.00001 0.00002 0.00000
|
|
185 9D+1 0.00001 0.00000 -0.00001 -0.00001 0.00000
|
|
186 9D-1 0.00001 0.00000 -0.00001 0.00001 0.00000
|
|
187 9D+2 0.00000 0.00000 0.00000 0.00002 0.00000
|
|
188 9D-2 0.00000 0.00000 0.00001 -0.00001 0.00000
|
|
91 92 93 94 95
|
|
91 16F+1 0.00000
|
|
92 16F-1 0.00000 0.00000
|
|
93 16F+2 0.00000 0.00000 0.00000
|
|
94 16F-2 0.00000 0.00000 0.00000 0.00000
|
|
95 16F+3 0.00000 0.00000 0.00000 0.00000 0.00001
|
|
96 16F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
97 3 H 1S -0.00021 -0.00016 0.00000 0.00000 0.00034
|
|
98 2S -0.00034 -0.00026 0.00000 0.00000 0.00049
|
|
99 3S -0.00015 -0.00007 0.00000 0.00000 0.00021
|
|
100 4S -0.00002 -0.00001 0.00000 0.00000 0.00003
|
|
101 5PX 0.00001 0.00001 0.00000 0.00000 -0.00003
|
|
102 5PY 0.00000 -0.00001 0.00000 0.00000 0.00000
|
|
103 5PZ 0.00000 0.00000 0.00000 -0.00001 0.00000
|
|
104 6PX 0.00000 0.00001 0.00000 0.00000 -0.00001
|
|
105 6PY 0.00000 -0.00001 0.00000 0.00000 -0.00002
|
|
106 6PZ 0.00000 0.00000 0.00001 -0.00003 0.00000
|
|
107 7PX -0.00001 -0.00002 0.00000 0.00000 0.00001
|
|
108 7PY -0.00001 0.00001 0.00000 0.00000 0.00001
|
|
109 7PZ 0.00000 0.00000 0.00000 -0.00002 0.00000
|
|
110 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
111 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
112 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
113 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
114 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
115 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
116 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
117 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
118 9D+2 0.00001 0.00001 0.00000 0.00000 -0.00001
|
|
119 9D-2 0.00000 0.00000 0.00000 0.00000 0.00001
|
|
120 4 H 1S -0.00001 -0.00002 0.00000 0.00000 0.00005
|
|
121 2S 0.00000 -0.00003 0.00000 0.00000 0.00004
|
|
122 3S -0.00010 -0.00005 0.00000 0.00000 0.00010
|
|
123 4S 0.00001 0.00000 0.00000 0.00000 -0.00002
|
|
124 5PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
125 5PY 0.00000 0.00000 0.00000 0.00000 0.00001
|
|
126 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
127 6PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
128 6PY -0.00001 0.00001 0.00000 0.00000 0.00003
|
|
129 6PZ 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
130 7PX -0.00002 -0.00001 0.00000 0.00000 0.00001
|
|
131 7PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
132 7PZ 0.00000 0.00000 0.00000 -0.00001 0.00000
|
|
133 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
134 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
135 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
136 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
137 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
138 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
139 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
140 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
141 9D+2 0.00000 0.00000 0.00000 0.00000 0.00001
|
|
142 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
143 5 H 1S -0.00004 -0.00005 -0.00002 0.00009 0.00002
|
|
144 2S -0.00002 -0.00008 -0.00003 0.00013 -0.00003
|
|
145 3S 0.00008 0.00003 -0.00003 0.00012 -0.00009
|
|
146 4S 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
147 5PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
148 5PY 0.00000 0.00000 0.00000 0.00000 0.00001
|
|
149 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
150 6PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
151 6PY -0.00001 0.00002 0.00000 0.00000 0.00004
|
|
152 6PZ 0.00000 0.00000 0.00000 0.00000 0.00001
|
|
153 7PX -0.00001 0.00000 0.00000 0.00000 0.00002
|
|
154 7PY -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
155 7PZ -0.00002 -0.00001 0.00000 -0.00001 0.00002
|
|
156 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
157 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
158 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
159 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
160 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
161 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
162 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
163 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
164 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
165 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
166 6 H 1S -0.00004 -0.00005 0.00002 -0.00009 0.00002
|
|
167 2S -0.00002 -0.00008 0.00003 -0.00013 -0.00003
|
|
168 3S 0.00008 0.00003 0.00003 -0.00012 -0.00009
|
|
169 4S 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
170 5PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
171 5PY 0.00000 0.00000 0.00000 0.00000 0.00001
|
|
172 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
173 6PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
174 6PY -0.00001 0.00002 0.00000 0.00000 0.00004
|
|
175 6PZ 0.00000 0.00000 0.00000 0.00000 -0.00001
|
|
176 7PX -0.00001 0.00000 0.00000 0.00000 0.00002
|
|
177 7PY -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
178 7PZ 0.00002 0.00001 0.00000 -0.00001 -0.00002
|
|
179 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
180 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
181 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
182 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
183 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
184 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
185 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
186 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
187 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
188 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
96 97 98 99 100
|
|
96 16F-3 0.00001
|
|
97 3 H 1S 0.00041 0.03303
|
|
98 2S 0.00059 0.05039 0.07747
|
|
99 3S 0.00010 0.01591 0.02466 0.00985
|
|
100 4S -0.00001 0.00137 0.00213 0.00113 0.00017
|
|
101 5PX -0.00004 -0.00263 -0.00393 -0.00116 -0.00009
|
|
102 5PY 0.00001 0.00036 0.00060 0.00007 -0.00001
|
|
103 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
104 6PX -0.00004 -0.00185 -0.00271 -0.00049 0.00000
|
|
105 6PY 0.00000 0.00005 0.00026 -0.00020 -0.00006
|
|
106 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
107 7PX 0.00004 0.00245 0.00384 0.00091 0.00003
|
|
108 7PY -0.00001 -0.00036 -0.00064 0.00012 0.00007
|
|
109 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
110 8D 0 -0.00001 -0.00032 -0.00048 -0.00011 0.00000
|
|
111 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
112 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
113 8D+2 0.00001 0.00049 0.00072 0.00020 0.00001
|
|
114 8D-2 0.00000 -0.00010 -0.00018 0.00002 0.00001
|
|
115 9D 0 0.00000 0.00016 0.00025 0.00006 0.00000
|
|
116 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
117 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
118 9D+2 -0.00001 -0.00103 -0.00160 -0.00057 -0.00006
|
|
119 9D-2 0.00000 0.00039 0.00058 0.00021 0.00002
|
|
120 4 H 1S -0.00025 0.00370 0.00672 0.00578 0.00091
|
|
121 2S -0.00027 0.00500 0.00897 0.00669 0.00097
|
|
122 3S 0.00003 0.00619 0.00948 0.00398 0.00060
|
|
123 4S -0.00001 -0.00141 -0.00214 -0.00099 -0.00012
|
|
124 5PX -0.00002 0.00020 0.00038 0.00044 0.00008
|
|
125 5PY 0.00000 0.00016 0.00018 0.00011 0.00002
|
|
126 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
127 6PX -0.00001 -0.00003 -0.00004 -0.00001 0.00001
|
|
128 6PY -0.00003 0.00004 -0.00004 0.00069 0.00017
|
|
129 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
130 7PX 0.00003 0.00088 0.00129 0.00020 0.00002
|
|
131 7PY -0.00002 -0.00025 -0.00027 0.00015 0.00004
|
|
132 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
133 8D 0 0.00000 -0.00002 -0.00005 -0.00003 0.00000
|
|
134 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
135 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
136 8D+2 0.00000 0.00010 0.00015 0.00016 0.00003
|
|
137 8D-2 0.00000 0.00006 0.00007 0.00008 0.00002
|
|
138 9D 0 0.00000 0.00003 0.00004 0.00006 0.00001
|
|
139 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
140 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
141 9D+2 0.00001 0.00029 0.00040 0.00020 0.00003
|
|
142 9D-2 -0.00001 -0.00021 -0.00031 0.00004 0.00003
|
|
143 5 H 1S -0.00016 -0.00149 -0.00277 0.00028 0.00048
|
|
144 2S -0.00016 -0.00277 -0.00489 -0.00130 0.00029
|
|
145 3S 0.00001 -0.00472 -0.00741 -0.00376 -0.00058
|
|
146 4S 0.00001 -0.00006 -0.00014 -0.00019 -0.00004
|
|
147 5PX 0.00001 -0.00001 -0.00002 -0.00012 -0.00003
|
|
148 5PY 0.00000 0.00009 0.00012 0.00014 0.00002
|
|
149 5PZ 0.00001 0.00009 0.00018 -0.00005 -0.00005
|
|
150 6PX 0.00001 -0.00016 -0.00031 -0.00023 -0.00002
|
|
151 6PY -0.00002 0.00038 0.00041 0.00089 0.00019
|
|
152 6PZ 0.00000 0.00019 0.00031 0.00019 0.00001
|
|
153 7PX 0.00000 0.00082 0.00112 0.00068 0.00014
|
|
154 7PY -0.00001 0.00005 0.00006 0.00015 0.00005
|
|
155 7PZ -0.00002 0.00048 0.00074 0.00064 0.00014
|
|
156 8D 0 0.00000 -0.00003 -0.00007 0.00002 0.00001
|
|
157 8D+1 0.00000 -0.00001 -0.00001 0.00004 0.00001
|
|
158 8D-1 0.00000 -0.00002 -0.00002 -0.00007 -0.00001
|
|
159 8D+2 0.00000 0.00001 0.00001 0.00007 0.00002
|
|
160 8D-2 0.00000 -0.00004 -0.00005 -0.00004 -0.00001
|
|
161 9D 0 0.00000 -0.00002 -0.00005 0.00002 0.00001
|
|
162 9D+1 0.00000 0.00001 0.00002 0.00002 -0.00001
|
|
163 9D-1 0.00001 0.00005 0.00010 -0.00007 -0.00003
|
|
164 9D+2 0.00000 -0.00002 -0.00004 0.00010 0.00003
|
|
165 9D-2 0.00000 -0.00007 -0.00008 -0.00008 -0.00002
|
|
166 6 H 1S -0.00016 -0.00149 -0.00277 0.00028 0.00048
|
|
167 2S -0.00016 -0.00277 -0.00489 -0.00130 0.00029
|
|
168 3S 0.00001 -0.00472 -0.00741 -0.00376 -0.00058
|
|
169 4S 0.00001 -0.00006 -0.00014 -0.00019 -0.00004
|
|
170 5PX 0.00001 -0.00001 -0.00002 -0.00012 -0.00003
|
|
171 5PY 0.00000 0.00009 0.00012 0.00014 0.00002
|
|
172 5PZ -0.00001 -0.00009 -0.00018 0.00005 0.00005
|
|
173 6PX 0.00001 -0.00016 -0.00031 -0.00023 -0.00002
|
|
174 6PY -0.00002 0.00038 0.00041 0.00089 0.00019
|
|
175 6PZ 0.00000 -0.00019 -0.00031 -0.00019 -0.00001
|
|
176 7PX 0.00000 0.00082 0.00112 0.00068 0.00014
|
|
177 7PY -0.00001 0.00005 0.00006 0.00015 0.00005
|
|
178 7PZ 0.00002 -0.00048 -0.00074 -0.00064 -0.00014
|
|
179 8D 0 0.00000 -0.00003 -0.00007 0.00002 0.00001
|
|
180 8D+1 0.00000 0.00001 0.00001 -0.00004 -0.00001
|
|
181 8D-1 0.00000 0.00002 0.00002 0.00007 0.00001
|
|
182 8D+2 0.00000 0.00001 0.00001 0.00007 0.00002
|
|
183 8D-2 0.00000 -0.00004 -0.00005 -0.00004 -0.00001
|
|
184 9D 0 0.00000 -0.00002 -0.00005 0.00002 0.00001
|
|
185 9D+1 0.00000 -0.00001 -0.00002 -0.00002 0.00001
|
|
186 9D-1 -0.00001 -0.00005 -0.00010 0.00007 0.00003
|
|
187 9D+2 0.00000 -0.00002 -0.00004 0.00010 0.00003
|
|
188 9D-2 0.00000 -0.00007 -0.00008 -0.00008 -0.00002
|
|
101 102 103 104 105
|
|
101 5PX 0.00022
|
|
102 5PY -0.00003 0.00002
|
|
103 5PZ 0.00000 0.00000 0.00003
|
|
104 6PX 0.00017 -0.00003 0.00000 0.00020
|
|
105 6PY 0.00001 0.00004 0.00000 -0.00002 0.00012
|
|
106 6PZ 0.00000 0.00000 0.00011 0.00000 0.00000
|
|
107 7PX -0.00019 0.00006 0.00000 -0.00017 0.00009
|
|
108 7PY 0.00003 -0.00003 0.00000 0.00006 -0.00008
|
|
109 7PZ 0.00000 0.00000 0.00006 0.00000 0.00000
|
|
110 8D 0 0.00003 -0.00001 0.00000 0.00003 -0.00001
|
|
111 8D+1 0.00000 0.00000 -0.00001 0.00000 0.00000
|
|
112 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
113 8D+2 -0.00004 0.00001 0.00000 -0.00004 0.00000
|
|
114 8D-2 0.00001 -0.00001 0.00000 0.00001 -0.00003
|
|
115 9D 0 -0.00001 0.00000 0.00000 -0.00001 0.00000
|
|
116 9D+1 0.00000 0.00000 -0.00002 0.00000 0.00000
|
|
117 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
118 9D+2 0.00008 -0.00001 0.00000 0.00004 0.00000
|
|
119 9D-2 -0.00003 0.00000 0.00000 -0.00002 -0.00001
|
|
120 4 H 1S -0.00012 -0.00016 0.00000 0.00026 -0.00032
|
|
121 2S -0.00020 -0.00015 0.00000 0.00019 -0.00029
|
|
122 3S -0.00045 0.00003 0.00000 -0.00015 -0.00010
|
|
123 4S 0.00011 0.00001 0.00000 0.00004 0.00007
|
|
124 5PX 0.00000 -0.00002 0.00000 0.00003 -0.00003
|
|
125 5PY -0.00002 -0.00001 0.00000 0.00000 -0.00003
|
|
126 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
127 6PX 0.00000 0.00000 0.00000 -0.00001 0.00000
|
|
128 6PY 0.00001 -0.00006 0.00000 0.00010 -0.00016
|
|
129 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
130 7PX -0.00007 0.00003 0.00000 -0.00006 0.00004
|
|
131 7PY 0.00004 -0.00001 0.00000 0.00006 0.00000
|
|
132 7PZ 0.00000 0.00000 0.00002 0.00000 0.00000
|
|
133 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
134 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
135 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
136 8D+2 0.00000 -0.00001 0.00000 0.00001 -0.00002
|
|
137 8D-2 -0.00001 -0.00001 0.00000 0.00000 -0.00002
|
|
138 9D 0 0.00000 0.00000 0.00000 0.00000 -0.00001
|
|
139 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
140 9D-1 0.00000 0.00000 -0.00001 0.00000 0.00000
|
|
141 9D+2 -0.00002 -0.00001 0.00000 0.00000 -0.00003
|
|
142 9D-2 0.00002 -0.00001 0.00000 0.00003 -0.00002
|
|
143 5 H 1S 0.00008 -0.00008 -0.00013 0.00006 -0.00019
|
|
144 2S 0.00014 -0.00003 -0.00022 -0.00006 -0.00003
|
|
145 3S 0.00030 0.00001 -0.00054 -0.00002 0.00014
|
|
146 4S -0.00001 0.00000 -0.00003 -0.00003 0.00000
|
|
147 5PX 0.00000 0.00001 0.00000 -0.00001 0.00002
|
|
148 5PY -0.00001 -0.00001 0.00000 0.00001 -0.00003
|
|
149 5PZ 0.00000 0.00001 0.00000 -0.00001 0.00002
|
|
150 6PX 0.00001 0.00001 0.00001 -0.00001 0.00001
|
|
151 6PY -0.00002 -0.00007 -0.00001 0.00008 -0.00020
|
|
152 6PZ -0.00001 -0.00001 0.00000 0.00001 -0.00002
|
|
153 7PX -0.00007 -0.00002 0.00004 -0.00002 -0.00009
|
|
154 7PY 0.00000 0.00000 0.00001 0.00001 -0.00001
|
|
155 7PZ -0.00003 -0.00001 0.00007 0.00003 -0.00005
|
|
156 8D 0 0.00000 0.00000 0.00000 0.00000 -0.00001
|
|
157 8D+1 0.00000 0.00000 0.00000 0.00000 -0.00001
|
|
158 8D-1 0.00000 0.00001 0.00000 -0.00001 0.00002
|
|
159 8D+2 0.00000 -0.00001 0.00000 0.00001 -0.00002
|
|
160 8D-2 0.00000 0.00000 0.00000 0.00000 0.00001
|
|
161 9D 0 0.00000 -0.00001 0.00000 0.00001 -0.00002
|
|
162 9D+1 0.00000 0.00000 0.00000 0.00001 -0.00001
|
|
163 9D-1 0.00000 0.00001 0.00000 -0.00001 0.00002
|
|
164 9D+2 0.00000 -0.00001 0.00000 0.00002 -0.00003
|
|
165 9D-2 0.00001 0.00000 0.00000 0.00000 0.00002
|
|
166 6 H 1S 0.00008 -0.00008 0.00013 0.00006 -0.00019
|
|
167 2S 0.00014 -0.00003 0.00022 -0.00006 -0.00003
|
|
168 3S 0.00030 0.00001 0.00054 -0.00002 0.00014
|
|
169 4S -0.00001 0.00000 0.00003 -0.00003 0.00000
|
|
170 5PX 0.00000 0.00001 0.00000 -0.00001 0.00002
|
|
171 5PY -0.00001 -0.00001 0.00000 0.00001 -0.00003
|
|
172 5PZ 0.00000 -0.00001 0.00000 0.00001 -0.00002
|
|
173 6PX 0.00001 0.00001 -0.00001 -0.00001 0.00001
|
|
174 6PY -0.00002 -0.00007 0.00001 0.00008 -0.00020
|
|
175 6PZ 0.00001 0.00001 0.00000 -0.00001 0.00002
|
|
176 7PX -0.00007 -0.00002 -0.00004 -0.00002 -0.00009
|
|
177 7PY 0.00000 0.00000 -0.00001 0.00001 -0.00001
|
|
178 7PZ 0.00003 0.00001 0.00007 -0.00003 0.00005
|
|
179 8D 0 0.00000 0.00000 0.00000 0.00000 -0.00001
|
|
180 8D+1 0.00000 0.00000 0.00000 0.00000 0.00001
|
|
181 8D-1 0.00000 -0.00001 0.00000 0.00001 -0.00002
|
|
182 8D+2 0.00000 -0.00001 0.00000 0.00001 -0.00002
|
|
183 8D-2 0.00000 0.00000 0.00000 0.00000 0.00001
|
|
184 9D 0 0.00000 -0.00001 0.00000 0.00001 -0.00002
|
|
185 9D+1 0.00000 0.00000 0.00000 -0.00001 0.00001
|
|
186 9D-1 0.00000 -0.00001 0.00000 0.00001 -0.00002
|
|
187 9D+2 0.00000 -0.00001 0.00000 0.00002 -0.00003
|
|
188 9D-2 0.00001 0.00000 0.00000 0.00000 0.00002
|
|
106 107 108 109 110
|
|
106 6PZ 0.00038
|
|
107 7PX 0.00000 0.00026
|
|
108 7PY 0.00000 -0.00011 0.00016
|
|
109 7PZ 0.00022 0.00000 0.00000 0.00013
|
|
110 8D 0 0.00000 -0.00003 0.00001 0.00000 0.00000
|
|
111 8D+1 -0.00005 0.00000 0.00000 -0.00003 0.00000
|
|
112 8D-1 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
113 8D+2 0.00000 0.00004 -0.00001 0.00000 -0.00001
|
|
114 8D-2 0.00000 -0.00003 0.00002 0.00000 0.00000
|
|
115 9D 0 0.00000 0.00002 -0.00001 0.00000 0.00000
|
|
116 9D+1 -0.00006 0.00000 0.00000 -0.00003 0.00000
|
|
117 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
118 9D+2 0.00000 -0.00007 0.00000 0.00000 0.00001
|
|
119 9D-2 0.00000 0.00002 -0.00001 0.00000 0.00000
|
|
120 4 H 1S 0.00000 -0.00003 -0.00090 0.00000 0.00004
|
|
121 2S 0.00000 0.00013 -0.00133 0.00000 0.00004
|
|
122 3S 0.00000 0.00025 0.00072 0.00000 -0.00005
|
|
123 4S 0.00000 -0.00005 0.00002 0.00000 0.00001
|
|
124 5PX 0.00000 -0.00002 -0.00006 0.00000 0.00000
|
|
125 5PY 0.00000 -0.00002 0.00007 0.00000 0.00000
|
|
126 5PZ 0.00000 0.00000 0.00000 -0.00001 0.00000
|
|
127 6PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
128 6PY 0.00000 -0.00015 0.00018 0.00000 0.00002
|
|
129 6PZ -0.00001 0.00000 0.00000 -0.00002 0.00000
|
|
130 7PX 0.00000 0.00007 0.00024 0.00000 -0.00002
|
|
131 7PY 0.00000 -0.00003 -0.00003 0.00000 0.00001
|
|
132 7PZ 0.00008 0.00000 0.00000 0.00005 0.00000
|
|
133 8D 0 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
134 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
135 8D-1 -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
136 8D+2 0.00000 -0.00001 0.00001 0.00000 0.00000
|
|
137 8D-2 0.00000 -0.00001 0.00003 0.00000 0.00000
|
|
138 9D 0 0.00000 -0.00001 0.00000 0.00000 0.00000
|
|
139 9D+1 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
140 9D-1 -0.00002 0.00000 0.00000 -0.00001 0.00000
|
|
141 9D+2 0.00000 0.00000 0.00003 0.00000 0.00000
|
|
142 9D-2 0.00000 -0.00004 0.00001 0.00000 0.00000
|
|
143 5 H 1S -0.00047 -0.00047 0.00110 -0.00049 0.00001
|
|
144 2S -0.00079 -0.00045 0.00121 -0.00075 -0.00001
|
|
145 3S -0.00185 -0.00013 -0.00047 -0.00101 0.00002
|
|
146 4S -0.00011 0.00001 -0.00005 -0.00005 0.00000
|
|
147 5PX 0.00001 0.00002 -0.00002 0.00002 0.00000
|
|
148 5PY -0.00001 -0.00002 0.00000 0.00000 0.00000
|
|
149 5PZ 0.00002 0.00004 -0.00010 0.00002 0.00000
|
|
150 6PX 0.00002 -0.00001 0.00008 0.00002 0.00000
|
|
151 6PY -0.00004 -0.00015 0.00018 -0.00002 0.00001
|
|
152 6PZ 0.00000 0.00001 -0.00005 -0.00001 0.00000
|
|
153 7PX 0.00013 -0.00004 0.00019 0.00006 0.00000
|
|
154 7PY 0.00005 -0.00003 0.00011 0.00001 0.00000
|
|
155 7PZ 0.00025 -0.00004 0.00017 0.00011 0.00000
|
|
156 8D 0 -0.00001 -0.00002 0.00003 0.00000 0.00000
|
|
157 8D+1 -0.00001 -0.00001 0.00001 -0.00001 0.00000
|
|
158 8D-1 0.00000 0.00001 0.00000 0.00000 0.00000
|
|
159 8D+2 -0.00001 -0.00001 0.00001 0.00000 0.00000
|
|
160 8D-2 0.00000 0.00000 -0.00001 0.00000 0.00000
|
|
161 9D 0 0.00000 -0.00002 0.00002 0.00000 0.00000
|
|
162 9D+1 0.00000 0.00000 -0.00002 0.00000 0.00000
|
|
163 9D-1 0.00001 0.00003 -0.00003 0.00001 0.00000
|
|
164 9D+2 0.00000 -0.00003 0.00002 0.00000 0.00000
|
|
165 9D-2 0.00001 0.00001 -0.00003 0.00000 0.00000
|
|
166 6 H 1S 0.00047 -0.00047 0.00110 0.00049 0.00001
|
|
167 2S 0.00079 -0.00045 0.00121 0.00075 -0.00001
|
|
168 3S 0.00185 -0.00013 -0.00047 0.00101 0.00002
|
|
169 4S 0.00011 0.00001 -0.00005 0.00005 0.00000
|
|
170 5PX -0.00001 0.00002 -0.00002 -0.00002 0.00000
|
|
171 5PY 0.00001 -0.00002 0.00000 0.00000 0.00000
|
|
172 5PZ 0.00002 -0.00004 0.00010 0.00002 0.00000
|
|
173 6PX -0.00002 -0.00001 0.00008 -0.00002 0.00000
|
|
174 6PY 0.00004 -0.00015 0.00018 0.00002 0.00001
|
|
175 6PZ 0.00000 -0.00001 0.00005 -0.00001 0.00000
|
|
176 7PX -0.00013 -0.00004 0.00019 -0.00006 0.00000
|
|
177 7PY -0.00005 -0.00003 0.00011 -0.00001 0.00000
|
|
178 7PZ 0.00025 0.00004 -0.00017 0.00011 0.00000
|
|
179 8D 0 0.00001 -0.00002 0.00003 0.00000 0.00000
|
|
180 8D+1 -0.00001 0.00001 -0.00001 -0.00001 0.00000
|
|
181 8D-1 0.00000 -0.00001 0.00000 0.00000 0.00000
|
|
182 8D+2 0.00001 -0.00001 0.00001 0.00000 0.00000
|
|
183 8D-2 0.00000 0.00000 -0.00001 0.00000 0.00000
|
|
184 9D 0 0.00000 -0.00002 0.00002 0.00000 0.00000
|
|
185 9D+1 0.00000 0.00000 0.00002 0.00000 0.00000
|
|
186 9D-1 0.00001 -0.00003 0.00003 0.00001 0.00000
|
|
187 9D+2 0.00000 -0.00003 0.00002 0.00000 0.00000
|
|
188 9D-2 -0.00001 0.00001 -0.00003 0.00000 0.00000
|
|
111 112 113 114 115
|
|
111 8D+1 0.00001
|
|
112 8D-1 0.00000 0.00000
|
|
113 8D+2 0.00000 0.00000 0.00001
|
|
114 8D-2 0.00000 0.00000 0.00000 0.00001
|
|
115 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
116 9D+1 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
117 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
118 9D+2 0.00000 0.00000 -0.00001 0.00000 0.00000
|
|
119 9D-2 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
120 4 H 1S 0.00000 0.00000 -0.00001 0.00008 0.00005
|
|
121 2S 0.00000 0.00000 0.00000 0.00006 0.00008
|
|
122 3S 0.00000 0.00000 0.00008 0.00002 0.00000
|
|
123 4S 0.00000 0.00000 -0.00002 -0.00001 -0.00001
|
|
124 5PX 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
125 5PY 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
126 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
127 6PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
128 6PY 0.00000 0.00000 -0.00001 0.00004 -0.00001
|
|
129 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
130 7PX 0.00000 0.00000 0.00002 -0.00001 -0.00001
|
|
131 7PY 0.00000 0.00000 -0.00001 0.00000 0.00000
|
|
132 7PZ -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
133 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
134 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
135 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
136 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
137 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
138 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
139 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
140 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
141 9D+2 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
142 9D-2 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
143 5 H 1S 0.00004 0.00002 0.00000 0.00005 -0.00005
|
|
144 2S 0.00008 0.00002 0.00001 0.00001 -0.00005
|
|
145 3S 0.00024 -0.00004 -0.00005 -0.00004 0.00000
|
|
146 4S 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
147 5PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
148 5PY 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
149 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
150 6PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
151 6PY 0.00000 0.00000 0.00000 0.00005 -0.00001
|
|
152 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
153 7PX -0.00002 0.00000 0.00001 0.00002 0.00000
|
|
154 7PY -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
155 7PZ -0.00003 0.00001 0.00000 0.00001 0.00000
|
|
156 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
157 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
158 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
159 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
160 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
161 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
162 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
163 9D-1 0.00000 0.00000 0.00000 -0.00001 0.00000
|
|
164 9D+2 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
165 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
166 6 H 1S -0.00004 -0.00002 0.00000 0.00005 -0.00005
|
|
167 2S -0.00008 -0.00002 0.00001 0.00001 -0.00005
|
|
168 3S -0.00024 0.00004 -0.00005 -0.00004 0.00000
|
|
169 4S -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
170 5PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
171 5PY 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
172 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
173 6PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
174 6PY 0.00000 0.00000 0.00000 0.00005 -0.00001
|
|
175 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
176 7PX 0.00002 0.00000 0.00001 0.00002 0.00000
|
|
177 7PY 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
178 7PZ -0.00003 0.00001 0.00000 -0.00001 0.00000
|
|
179 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
180 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
181 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
182 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
183 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
184 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
185 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
186 9D-1 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
187 9D+2 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
188 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
116 117 118 119 120
|
|
116 9D+1 0.00001
|
|
117 9D-1 0.00000 0.00000
|
|
118 9D+2 0.00000 0.00000 0.00004
|
|
119 9D-2 0.00000 0.00000 -0.00001 0.00001
|
|
120 4 H 1S 0.00000 0.00000 -0.00009 0.00022 0.03747
|
|
121 2S 0.00000 0.00000 -0.00010 0.00028 0.04645
|
|
122 3S 0.00000 0.00000 -0.00030 0.00002 -0.00745
|
|
123 4S 0.00000 0.00000 0.00004 -0.00003 -0.00176
|
|
124 5PX 0.00000 0.00000 -0.00001 0.00002 0.00312
|
|
125 5PY 0.00000 0.00000 -0.00001 0.00000 -0.00095
|
|
126 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
127 6PX 0.00000 0.00000 0.00000 0.00000 0.00031
|
|
128 6PY 0.00000 0.00000 -0.00002 0.00001 0.00063
|
|
129 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
130 7PX 0.00000 0.00000 -0.00005 -0.00002 -0.00565
|
|
131 7PY 0.00000 0.00000 0.00000 0.00000 0.00170
|
|
132 7PZ -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
133 8D 0 0.00000 0.00000 0.00000 0.00000 -0.00032
|
|
134 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
135 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
136 8D+2 0.00000 0.00000 0.00000 0.00000 0.00054
|
|
137 8D-2 0.00000 0.00000 0.00000 0.00000 -0.00027
|
|
138 9D 0 0.00000 0.00000 0.00000 0.00000 0.00053
|
|
139 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
140 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
141 9D+2 0.00000 0.00000 -0.00001 0.00001 -0.00043
|
|
142 9D-2 0.00000 0.00000 0.00000 0.00000 0.00067
|
|
143 5 H 1S 0.00010 -0.00001 -0.00009 -0.00009 -0.00353
|
|
144 2S 0.00016 -0.00001 -0.00005 -0.00014 -0.00749
|
|
145 3S 0.00029 0.00000 0.00023 -0.00004 0.00192
|
|
146 4S 0.00002 0.00000 0.00001 0.00000 0.00028
|
|
147 5PX 0.00000 0.00000 0.00000 0.00000 -0.00062
|
|
148 5PY 0.00000 0.00000 0.00000 0.00001 0.00038
|
|
149 5PZ 0.00000 0.00000 0.00001 0.00001 0.00034
|
|
150 6PX 0.00000 0.00000 0.00000 -0.00001 -0.00198
|
|
151 6PY 0.00001 0.00000 -0.00003 0.00002 0.00094
|
|
152 6PZ 0.00000 0.00000 0.00000 0.00001 0.00078
|
|
153 7PX -0.00002 0.00000 -0.00004 0.00001 -0.00089
|
|
154 7PY -0.00001 0.00000 -0.00002 -0.00001 -0.00068
|
|
155 7PZ -0.00004 0.00000 -0.00004 0.00000 -0.00023
|
|
156 8D 0 0.00000 0.00000 0.00000 0.00000 -0.00017
|
|
157 8D+1 0.00000 0.00000 0.00000 0.00000 0.00019
|
|
158 8D-1 0.00000 0.00000 0.00000 0.00000 -0.00019
|
|
159 8D+2 0.00000 0.00000 0.00000 0.00000 0.00020
|
|
160 8D-2 0.00000 0.00000 0.00000 0.00000 0.00004
|
|
161 9D 0 0.00000 0.00000 0.00000 0.00000 -0.00028
|
|
162 9D+1 0.00000 0.00000 0.00000 0.00000 0.00001
|
|
163 9D-1 0.00000 0.00000 0.00000 0.00000 -0.00022
|
|
164 9D+2 0.00000 0.00000 0.00000 0.00000 0.00023
|
|
165 9D-2 0.00000 0.00000 0.00001 0.00000 0.00007
|
|
166 6 H 1S -0.00010 0.00001 -0.00009 -0.00009 -0.00353
|
|
167 2S -0.00016 0.00001 -0.00005 -0.00014 -0.00749
|
|
168 3S -0.00029 0.00000 0.00023 -0.00004 0.00192
|
|
169 4S -0.00002 0.00000 0.00001 0.00000 0.00028
|
|
170 5PX 0.00000 0.00000 0.00000 0.00000 -0.00062
|
|
171 5PY 0.00000 0.00000 0.00000 0.00001 0.00038
|
|
172 5PZ 0.00000 0.00000 -0.00001 -0.00001 -0.00034
|
|
173 6PX 0.00000 0.00000 0.00000 -0.00001 -0.00198
|
|
174 6PY -0.00001 0.00000 -0.00003 0.00002 0.00094
|
|
175 6PZ 0.00000 0.00000 0.00000 -0.00001 -0.00078
|
|
176 7PX 0.00002 0.00000 -0.00004 0.00001 -0.00089
|
|
177 7PY 0.00001 0.00000 -0.00002 -0.00001 -0.00068
|
|
178 7PZ -0.00004 0.00000 0.00004 0.00000 0.00023
|
|
179 8D 0 0.00000 0.00000 0.00000 0.00000 -0.00017
|
|
180 8D+1 0.00000 0.00000 0.00000 0.00000 -0.00019
|
|
181 8D-1 0.00000 0.00000 0.00000 0.00000 0.00019
|
|
182 8D+2 0.00000 0.00000 0.00000 0.00000 0.00020
|
|
183 8D-2 0.00000 0.00000 0.00000 0.00000 0.00004
|
|
184 9D 0 0.00000 0.00000 0.00000 0.00000 -0.00028
|
|
185 9D+1 0.00000 0.00000 0.00000 0.00000 -0.00001
|
|
186 9D-1 0.00000 0.00000 0.00000 0.00000 0.00022
|
|
187 9D+2 0.00000 0.00000 0.00000 0.00000 0.00023
|
|
188 9D-2 0.00000 0.00000 0.00001 0.00000 0.00007
|
|
121 122 123 124 125
|
|
121 2S 0.05796
|
|
122 3S -0.01005 0.00645
|
|
123 4S -0.00214 0.00005 0.00017
|
|
124 5PX 0.00385 -0.00055 -0.00014 0.00026
|
|
125 5PY -0.00125 0.00044 0.00002 -0.00008 0.00005
|
|
126 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
127 6PX 0.00038 0.00003 0.00000 0.00003 -0.00001
|
|
128 6PY 0.00047 0.00064 -0.00011 0.00007 0.00006
|
|
129 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
130 7PX -0.00716 0.00219 0.00022 -0.00046 0.00019
|
|
131 7PY 0.00209 -0.00037 -0.00006 0.00014 -0.00005
|
|
132 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
133 8D 0 -0.00040 0.00007 0.00001 -0.00003 0.00001
|
|
134 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
135 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
136 8D+2 0.00064 -0.00002 -0.00003 0.00005 -0.00001
|
|
137 8D-2 -0.00038 0.00018 0.00000 -0.00002 0.00002
|
|
138 9D 0 0.00065 -0.00006 -0.00002 0.00005 -0.00001
|
|
139 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
140 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
141 9D+2 -0.00057 0.00020 -0.00002 -0.00004 0.00003
|
|
142 9D-2 0.00078 -0.00006 -0.00003 0.00006 -0.00001
|
|
143 5 H 1S -0.00580 0.00629 0.00044 -0.00002 0.00040
|
|
144 2S -0.01062 0.00739 0.00082 -0.00029 0.00048
|
|
145 3S 0.00313 -0.00386 0.00018 0.00013 -0.00025
|
|
146 4S 0.00043 -0.00037 -0.00001 0.00002 -0.00002
|
|
147 5PX -0.00072 -0.00005 0.00002 -0.00006 0.00001
|
|
148 5PY 0.00046 -0.00013 -0.00005 0.00003 0.00000
|
|
149 5PZ 0.00055 -0.00059 -0.00004 0.00000 -0.00004
|
|
150 6PX -0.00250 0.00059 0.00010 -0.00016 0.00006
|
|
151 6PY 0.00084 0.00057 -0.00015 0.00009 0.00006
|
|
152 6PZ 0.00099 -0.00036 -0.00007 0.00005 -0.00003
|
|
153 7PX -0.00135 0.00117 -0.00002 -0.00005 0.00009
|
|
154 7PY -0.00099 0.00067 0.00004 -0.00004 0.00005
|
|
155 7PZ -0.00055 0.00108 -0.00001 0.00001 0.00007
|
|
156 8D 0 -0.00025 0.00016 0.00001 -0.00001 0.00001
|
|
157 8D+1 0.00021 0.00002 -0.00001 0.00002 0.00000
|
|
158 8D-1 -0.00022 0.00004 0.00002 -0.00001 0.00000
|
|
159 8D+2 0.00022 0.00000 -0.00002 0.00002 0.00000
|
|
160 8D-2 0.00005 -0.00003 0.00000 0.00000 0.00000
|
|
161 9D 0 -0.00038 0.00008 0.00000 -0.00003 0.00001
|
|
162 9D+1 0.00003 -0.00012 -0.00001 -0.00001 0.00000
|
|
163 9D-1 -0.00022 -0.00011 0.00001 -0.00002 -0.00001
|
|
164 9D+2 0.00024 0.00004 -0.00002 0.00002 0.00001
|
|
165 9D-2 0.00013 -0.00016 0.00000 0.00000 -0.00001
|
|
166 6 H 1S -0.00580 0.00629 0.00044 -0.00002 0.00040
|
|
167 2S -0.01062 0.00739 0.00082 -0.00029 0.00048
|
|
168 3S 0.00313 -0.00386 0.00018 0.00013 -0.00025
|
|
169 4S 0.00043 -0.00037 -0.00001 0.00002 -0.00002
|
|
170 5PX -0.00072 -0.00005 0.00002 -0.00006 0.00001
|
|
171 5PY 0.00046 -0.00013 -0.00005 0.00003 0.00000
|
|
172 5PZ -0.00055 0.00059 0.00004 0.00000 0.00004
|
|
173 6PX -0.00250 0.00059 0.00010 -0.00016 0.00006
|
|
174 6PY 0.00084 0.00057 -0.00015 0.00009 0.00006
|
|
175 6PZ -0.00099 0.00036 0.00007 -0.00005 0.00003
|
|
176 7PX -0.00135 0.00117 -0.00002 -0.00005 0.00009
|
|
177 7PY -0.00099 0.00067 0.00004 -0.00004 0.00005
|
|
178 7PZ 0.00055 -0.00108 0.00001 -0.00001 -0.00007
|
|
179 8D 0 -0.00025 0.00016 0.00001 -0.00001 0.00001
|
|
180 8D+1 -0.00021 -0.00002 0.00001 -0.00002 0.00000
|
|
181 8D-1 0.00022 -0.00004 -0.00002 0.00001 0.00000
|
|
182 8D+2 0.00022 0.00000 -0.00002 0.00002 0.00000
|
|
183 8D-2 0.00005 -0.00003 0.00000 0.00000 0.00000
|
|
184 9D 0 -0.00038 0.00008 0.00000 -0.00003 0.00001
|
|
185 9D+1 -0.00003 0.00012 0.00001 0.00001 0.00000
|
|
186 9D-1 0.00022 0.00011 -0.00001 0.00002 0.00001
|
|
187 9D+2 0.00024 0.00004 -0.00002 0.00002 0.00001
|
|
188 9D-2 0.00013 -0.00016 0.00000 0.00000 -0.00001
|
|
126 127 128 129 130
|
|
126 5PZ 0.00002
|
|
127 6PX 0.00000 0.00002
|
|
128 6PY 0.00000 0.00000 0.00033
|
|
129 6PZ 0.00006 0.00000 0.00000 0.00015
|
|
130 7PX 0.00000 -0.00002 0.00004 0.00000 0.00109
|
|
131 7PY 0.00000 0.00001 0.00003 0.00000 -0.00026
|
|
132 7PZ 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
133 8D 0 0.00000 0.00000 0.00000 0.00000 0.00005
|
|
134 8D+1 0.00001 0.00000 0.00000 0.00002 0.00000
|
|
135 8D-1 0.00000 0.00000 0.00000 -0.00001 0.00000
|
|
136 8D+2 0.00000 0.00001 0.00004 0.00000 -0.00006
|
|
137 8D-2 0.00000 0.00000 0.00004 0.00000 0.00006
|
|
138 9D 0 0.00000 0.00001 0.00002 0.00000 -0.00007
|
|
139 9D+1 0.00001 0.00000 0.00000 0.00002 0.00000
|
|
140 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
141 9D+2 0.00000 -0.00001 0.00005 0.00000 0.00008
|
|
142 9D-2 0.00000 0.00001 0.00005 0.00000 -0.00009
|
|
143 5 H 1S 0.00070 0.00041 0.00094 0.00175 0.00177
|
|
144 2S 0.00092 0.00051 0.00072 0.00231 0.00247
|
|
145 3S -0.00011 0.00001 -0.00063 -0.00027 -0.00103
|
|
146 4S -0.00003 0.00000 -0.00006 -0.00008 -0.00011
|
|
147 5PX -0.00003 -0.00002 -0.00004 -0.00008 0.00006
|
|
148 5PY -0.00003 -0.00001 0.00004 -0.00007 -0.00008
|
|
149 5PZ -0.00004 -0.00004 -0.00009 -0.00010 -0.00017
|
|
150 6PX -0.00003 0.00000 0.00000 -0.00008 0.00034
|
|
151 6PY -0.00001 0.00000 0.00036 -0.00002 -0.00001
|
|
152 6PZ 0.00002 -0.00002 0.00001 0.00004 -0.00017
|
|
153 7PX 0.00005 0.00002 0.00022 0.00012 0.00033
|
|
154 7PY 0.00004 0.00002 0.00009 0.00010 0.00022
|
|
155 7PZ 0.00009 0.00004 0.00020 0.00022 0.00026
|
|
156 8D 0 0.00000 0.00001 0.00003 0.00000 0.00005
|
|
157 8D+1 0.00001 0.00001 0.00002 0.00002 -0.00002
|
|
158 8D-1 0.00001 0.00000 -0.00002 0.00002 0.00003
|
|
159 8D+2 0.00000 0.00000 0.00003 0.00000 -0.00002
|
|
160 8D-2 0.00001 0.00000 -0.00001 0.00002 -0.00001
|
|
161 9D 0 -0.00001 -0.00001 0.00003 -0.00002 0.00004
|
|
162 9D+1 -0.00001 -0.00001 -0.00001 -0.00001 -0.00003
|
|
163 9D-1 -0.00001 -0.00001 -0.00005 -0.00002 0.00000
|
|
164 9D+2 0.00000 0.00000 0.00005 0.00001 -0.00002
|
|
165 9D-2 0.00000 -0.00001 -0.00004 -0.00001 -0.00004
|
|
166 6 H 1S -0.00070 0.00041 0.00094 -0.00175 0.00177
|
|
167 2S -0.00092 0.00051 0.00072 -0.00231 0.00247
|
|
168 3S 0.00011 0.00001 -0.00063 0.00027 -0.00103
|
|
169 4S 0.00003 0.00000 -0.00006 0.00008 -0.00011
|
|
170 5PX 0.00003 -0.00002 -0.00004 0.00008 0.00006
|
|
171 5PY 0.00003 -0.00001 0.00004 0.00007 -0.00008
|
|
172 5PZ -0.00004 0.00004 0.00009 -0.00010 0.00017
|
|
173 6PX 0.00003 0.00000 0.00000 0.00008 0.00034
|
|
174 6PY 0.00001 0.00000 0.00036 0.00002 -0.00001
|
|
175 6PZ 0.00002 0.00002 -0.00001 0.00004 0.00017
|
|
176 7PX -0.00005 0.00002 0.00022 -0.00012 0.00033
|
|
177 7PY -0.00004 0.00002 0.00009 -0.00010 0.00022
|
|
178 7PZ 0.00009 -0.00004 -0.00020 0.00022 -0.00026
|
|
179 8D 0 0.00000 0.00001 0.00003 0.00000 0.00005
|
|
180 8D+1 0.00001 -0.00001 -0.00002 0.00002 0.00002
|
|
181 8D-1 0.00001 0.00000 0.00002 0.00002 -0.00003
|
|
182 8D+2 0.00000 0.00000 0.00003 0.00000 -0.00002
|
|
183 8D-2 -0.00001 0.00000 -0.00001 -0.00002 -0.00001
|
|
184 9D 0 0.00001 -0.00001 0.00003 0.00002 0.00004
|
|
185 9D+1 -0.00001 0.00001 0.00001 -0.00001 0.00003
|
|
186 9D-1 -0.00001 0.00001 0.00005 -0.00002 0.00000
|
|
187 9D+2 0.00000 0.00000 0.00005 -0.00001 -0.00002
|
|
188 9D-2 0.00000 -0.00001 -0.00004 0.00001 -0.00004
|
|
131 132 133 134 135
|
|
131 7PY 0.00010
|
|
132 7PZ 0.00000 0.00002
|
|
133 8D 0 -0.00001 0.00000 0.00000
|
|
134 8D+1 0.00000 0.00000 0.00000 0.00000
|
|
135 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
136 8D+2 0.00002 0.00000 0.00000 0.00000 0.00000
|
|
137 8D-2 -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
138 9D 0 0.00002 0.00000 0.00000 0.00000 0.00000
|
|
139 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
140 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
141 9D+2 -0.00002 0.00000 0.00001 0.00000 0.00000
|
|
142 9D-2 0.00003 0.00000 -0.00001 0.00000 0.00000
|
|
143 5 H 1S -0.00017 -0.00001 0.00002 0.00029 -0.00006
|
|
144 2S -0.00036 -0.00006 0.00004 0.00039 -0.00008
|
|
145 3S 0.00007 -0.00043 -0.00003 -0.00005 0.00004
|
|
146 4S 0.00000 -0.00003 0.00000 -0.00001 0.00000
|
|
147 5PX -0.00003 0.00000 0.00001 -0.00001 0.00000
|
|
148 5PY 0.00001 -0.00001 0.00000 -0.00001 0.00000
|
|
149 5PZ 0.00002 0.00000 0.00000 -0.00002 0.00000
|
|
150 6PX -0.00009 0.00000 0.00002 -0.00001 0.00000
|
|
151 6PY 0.00004 -0.00001 0.00000 0.00000 0.00000
|
|
152 6PZ 0.00004 0.00000 0.00000 0.00001 0.00000
|
|
153 7PX -0.00005 0.00003 0.00001 0.00002 -0.00001
|
|
154 7PY -0.00003 0.00002 0.00001 0.00002 0.00000
|
|
155 7PZ 0.00000 0.00007 0.00000 0.00004 -0.00001
|
|
156 8D 0 -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
157 8D+1 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
158 8D-1 -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
159 8D+2 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
160 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
161 9D 0 -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
162 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
163 9D-1 -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
164 9D+2 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
165 9D-2 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
166 6 H 1S -0.00017 0.00001 0.00002 -0.00029 0.00006
|
|
167 2S -0.00036 0.00006 0.00004 -0.00039 0.00008
|
|
168 3S 0.00007 0.00043 -0.00003 0.00005 -0.00004
|
|
169 4S 0.00000 0.00003 0.00000 0.00001 0.00000
|
|
170 5PX -0.00003 0.00000 0.00001 0.00001 0.00000
|
|
171 5PY 0.00001 0.00001 0.00000 0.00001 0.00000
|
|
172 5PZ -0.00002 0.00000 0.00000 -0.00002 0.00000
|
|
173 6PX -0.00009 0.00000 0.00002 0.00001 0.00000
|
|
174 6PY 0.00004 0.00001 0.00000 0.00000 0.00000
|
|
175 6PZ -0.00004 0.00000 0.00000 0.00001 0.00000
|
|
176 7PX -0.00005 -0.00003 0.00001 -0.00002 0.00001
|
|
177 7PY -0.00003 -0.00002 0.00001 -0.00002 0.00000
|
|
178 7PZ 0.00000 0.00007 0.00000 0.00004 -0.00001
|
|
179 8D 0 -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
180 8D+1 -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
181 8D-1 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
182 8D+2 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
183 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
184 9D 0 -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
185 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
186 9D-1 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
187 9D+2 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
188 9D-2 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
136 137 138 139 140
|
|
136 8D+2 0.00001
|
|
137 8D-2 0.00000 0.00001
|
|
138 9D 0 0.00001 0.00000 0.00001
|
|
139 9D+1 0.00000 0.00000 0.00000 0.00000
|
|
140 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
141 9D+2 0.00000 0.00001 -0.00001 0.00000 0.00000
|
|
142 9D-2 0.00001 0.00000 0.00001 0.00000 0.00000
|
|
143 5 H 1S 0.00006 0.00017 0.00018 0.00021 -0.00004
|
|
144 2S 0.00000 0.00018 0.00018 0.00027 -0.00004
|
|
145 3S -0.00004 -0.00012 0.00002 -0.00007 0.00010
|
|
146 4S 0.00000 -0.00001 0.00000 -0.00001 0.00001
|
|
147 5PX -0.00001 0.00000 -0.00002 -0.00001 0.00000
|
|
148 5PY 0.00001 0.00000 0.00000 -0.00001 0.00000
|
|
149 5PZ -0.00001 -0.00002 -0.00002 -0.00001 0.00000
|
|
150 6PX -0.00002 0.00002 -0.00002 -0.00001 0.00000
|
|
151 6PY 0.00005 0.00004 0.00002 0.00000 0.00000
|
|
152 6PZ 0.00001 -0.00001 0.00000 0.00001 0.00000
|
|
153 7PX 0.00001 0.00004 0.00001 0.00002 -0.00001
|
|
154 7PY 0.00000 0.00002 0.00001 0.00001 -0.00001
|
|
155 7PZ 0.00002 0.00003 0.00002 0.00003 -0.00002
|
|
156 8D 0 0.00000 0.00001 0.00000 0.00000 0.00000
|
|
157 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
158 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
159 8D+2 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
160 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
161 9D 0 0.00000 0.00001 -0.00001 0.00000 0.00000
|
|
162 9D+1 0.00000 0.00000 -0.00001 0.00000 0.00000
|
|
163 9D-1 -0.00001 0.00000 -0.00001 0.00000 0.00000
|
|
164 9D+2 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
165 9D-2 0.00000 -0.00001 0.00000 0.00000 0.00000
|
|
166 6 H 1S 0.00006 0.00017 0.00018 -0.00021 0.00004
|
|
167 2S 0.00000 0.00018 0.00018 -0.00027 0.00004
|
|
168 3S -0.00004 -0.00012 0.00002 0.00007 -0.00010
|
|
169 4S 0.00000 -0.00001 0.00000 0.00001 -0.00001
|
|
170 5PX -0.00001 0.00000 -0.00002 0.00001 0.00000
|
|
171 5PY 0.00001 0.00000 0.00000 0.00001 0.00000
|
|
172 5PZ 0.00001 0.00002 0.00002 -0.00001 0.00000
|
|
173 6PX -0.00002 0.00002 -0.00002 0.00001 0.00000
|
|
174 6PY 0.00005 0.00004 0.00002 0.00000 0.00000
|
|
175 6PZ -0.00001 0.00001 0.00000 0.00001 0.00000
|
|
176 7PX 0.00001 0.00004 0.00001 -0.00002 0.00001
|
|
177 7PY 0.00000 0.00002 0.00001 -0.00001 0.00001
|
|
178 7PZ -0.00002 -0.00003 -0.00002 0.00003 -0.00002
|
|
179 8D 0 0.00000 0.00001 0.00000 0.00000 0.00000
|
|
180 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
181 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
182 8D+2 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
183 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
184 9D 0 0.00000 0.00001 -0.00001 0.00000 0.00000
|
|
185 9D+1 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
186 9D-1 0.00001 0.00000 0.00001 0.00000 0.00000
|
|
187 9D+2 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
188 9D-2 0.00000 -0.00001 0.00000 0.00000 0.00000
|
|
141 142 143 144 145
|
|
141 9D+2 0.00002
|
|
142 9D-2 -0.00001 0.00002
|
|
143 5 H 1S -0.00007 0.00019 0.03768
|
|
144 2S -0.00013 0.00015 0.04809 0.06240
|
|
145 3S -0.00015 -0.00002 -0.00466 -0.00416 0.01270
|
|
146 4S -0.00001 0.00000 -0.00129 -0.00155 0.00095
|
|
147 5PX 0.00001 -0.00002 -0.00143 -0.00178 0.00018
|
|
148 5PY 0.00001 0.00001 -0.00124 -0.00168 0.00021
|
|
149 5PZ 0.00000 -0.00002 -0.00270 -0.00340 0.00043
|
|
150 6PX 0.00002 -0.00003 -0.00024 -0.00025 -0.00016
|
|
151 6PY 0.00006 0.00005 0.00046 0.00006 -0.00041
|
|
152 6PZ 0.00001 0.00000 -0.00037 -0.00051 0.00000
|
|
153 7PX 0.00004 0.00001 0.00300 0.00356 -0.00162
|
|
154 7PY 0.00001 0.00001 0.00245 0.00305 -0.00085
|
|
155 7PZ 0.00002 0.00003 0.00424 0.00509 -0.00245
|
|
156 8D 0 0.00000 0.00000 0.00036 0.00044 -0.00007
|
|
157 8D+1 0.00000 0.00001 0.00042 0.00052 -0.00004
|
|
158 8D-1 0.00000 0.00000 0.00035 0.00050 -0.00004
|
|
159 8D+2 0.00000 0.00001 0.00007 0.00005 -0.00002
|
|
160 8D-2 0.00000 0.00000 0.00019 0.00026 -0.00002
|
|
161 9D 0 0.00001 0.00000 -0.00033 -0.00045 -0.00003
|
|
162 9D+1 0.00001 0.00000 -0.00059 -0.00075 0.00010
|
|
163 9D-1 0.00000 -0.00001 -0.00062 -0.00073 0.00010
|
|
164 9D+2 0.00001 0.00001 0.00022 0.00021 -0.00008
|
|
165 9D-2 0.00000 0.00000 -0.00039 -0.00046 0.00009
|
|
166 6 H 1S -0.00007 0.00019 -0.00429 -0.00760 -0.00186
|
|
167 2S -0.00013 0.00015 -0.00760 -0.01169 -0.00224
|
|
168 3S -0.00015 -0.00002 -0.00186 -0.00224 -0.00691
|
|
169 4S -0.00001 0.00000 0.00034 0.00049 -0.00042
|
|
170 5PX 0.00001 -0.00002 0.00058 0.00088 -0.00005
|
|
171 5PY 0.00001 0.00001 0.00043 0.00052 -0.00019
|
|
172 5PZ 0.00000 0.00002 0.00028 0.00020 -0.00018
|
|
173 6PX 0.00002 -0.00003 0.00160 0.00220 -0.00029
|
|
174 6PY 0.00006 0.00005 0.00097 0.00069 -0.00086
|
|
175 6PZ -0.00001 0.00000 0.00143 0.00190 -0.00021
|
|
176 7PX 0.00004 0.00001 0.00040 0.00026 0.00014
|
|
177 7PY 0.00001 0.00001 0.00011 0.00002 0.00006
|
|
178 7PZ -0.00002 -0.00003 0.00037 0.00075 -0.00097
|
|
179 8D 0 0.00000 0.00000 0.00028 0.00032 -0.00012
|
|
180 8D+1 0.00000 -0.00001 0.00014 0.00022 0.00001
|
|
181 8D-1 0.00000 0.00000 0.00011 0.00011 -0.00006
|
|
182 8D+2 0.00000 0.00001 -0.00004 -0.00011 -0.00005
|
|
183 8D-2 0.00000 0.00000 -0.00019 -0.00023 0.00008
|
|
184 9D 0 0.00001 0.00000 0.00020 0.00025 -0.00009
|
|
185 9D+1 -0.00001 0.00000 0.00028 0.00035 0.00001
|
|
186 9D-1 0.00000 0.00001 0.00013 0.00008 -0.00007
|
|
187 9D+2 0.00001 0.00001 -0.00004 -0.00014 -0.00007
|
|
188 9D-2 0.00000 0.00000 -0.00022 -0.00023 0.00012
|
|
146 147 148 149 150
|
|
146 4S 0.00011
|
|
147 5PX 0.00005 0.00007
|
|
148 5PY 0.00005 0.00004 0.00006
|
|
149 5PZ 0.00009 0.00010 0.00008 0.00020
|
|
150 6PX 0.00001 0.00006 0.00001 -0.00001 0.00016
|
|
151 6PY -0.00002 -0.00003 0.00007 -0.00005 -0.00001
|
|
152 6PZ 0.00000 -0.00001 0.00001 0.00005 -0.00009
|
|
153 7PX -0.00017 -0.00010 -0.00008 -0.00023 0.00004
|
|
154 7PY -0.00012 -0.00008 -0.00008 -0.00018 0.00002
|
|
155 7PZ -0.00027 -0.00017 -0.00015 -0.00031 -0.00003
|
|
156 8D 0 -0.00001 -0.00001 -0.00001 -0.00003 0.00002
|
|
157 8D+1 -0.00001 -0.00002 -0.00001 -0.00003 -0.00002
|
|
158 8D-1 -0.00001 -0.00001 -0.00002 -0.00002 0.00000
|
|
159 8D+2 0.00000 -0.00001 0.00000 0.00000 -0.00001
|
|
160 8D-2 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001
|
|
161 9D 0 0.00001 0.00002 0.00002 0.00002 0.00002
|
|
162 9D+1 0.00002 0.00002 0.00002 0.00005 -0.00001
|
|
163 9D-1 0.00002 0.00003 0.00001 0.00005 0.00001
|
|
164 9D+2 -0.00001 -0.00001 0.00000 -0.00002 -0.00001
|
|
165 9D-2 0.00001 0.00001 0.00001 0.00003 -0.00001
|
|
166 6 H 1S 0.00034 0.00058 0.00043 -0.00028 0.00160
|
|
167 2S 0.00049 0.00088 0.00052 -0.00020 0.00220
|
|
168 3S -0.00042 -0.00005 -0.00019 0.00018 -0.00029
|
|
169 4S -0.00004 -0.00003 -0.00003 -0.00001 -0.00007
|
|
170 5PX -0.00003 -0.00002 -0.00004 -0.00002 -0.00003
|
|
171 5PY -0.00003 -0.00004 -0.00001 -0.00001 -0.00007
|
|
172 5PZ 0.00001 0.00002 0.00001 -0.00006 0.00012
|
|
173 6PX -0.00007 -0.00003 -0.00007 -0.00012 0.00008
|
|
174 6PY -0.00007 -0.00006 0.00004 -0.00008 -0.00003
|
|
175 6PZ -0.00005 -0.00004 -0.00006 -0.00011 0.00004
|
|
176 7PX 0.00003 0.00003 0.00005 -0.00008 0.00016
|
|
177 7PY 0.00002 0.00003 0.00002 -0.00005 0.00013
|
|
178 7PZ -0.00011 -0.00006 -0.00008 0.00004 -0.00018
|
|
179 8D 0 -0.00001 0.00000 0.00000 -0.00003 0.00002
|
|
180 8D+1 -0.00001 -0.00001 -0.00001 0.00000 -0.00001
|
|
181 8D-1 -0.00001 -0.00001 0.00000 0.00000 -0.00002
|
|
182 8D+2 0.00000 0.00000 0.00001 0.00000 -0.00001
|
|
183 8D-2 0.00001 0.00001 0.00001 0.00001 0.00001
|
|
184 9D 0 -0.00002 -0.00001 0.00000 -0.00001 0.00000
|
|
185 9D+1 0.00000 0.00000 -0.00001 -0.00003 0.00002
|
|
186 9D-1 0.00000 0.00000 0.00001 -0.00002 0.00001
|
|
187 9D+2 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
188 9D-2 0.00001 0.00000 0.00000 0.00002 -0.00002
|
|
151 152 153 154 155
|
|
151 6PY 0.00043
|
|
152 6PZ 0.00002 0.00008
|
|
153 7PX 0.00019 -0.00004 0.00043
|
|
154 7PY 0.00005 -0.00004 0.00026 0.00019
|
|
155 7PZ 0.00013 -0.00002 0.00053 0.00036 0.00079
|
|
156 8D 0 0.00003 -0.00002 0.00004 0.00003 0.00004
|
|
157 8D+1 0.00002 0.00000 0.00003 0.00002 0.00005
|
|
158 8D-1 -0.00004 -0.00001 0.00002 0.00002 0.00004
|
|
159 8D+2 0.00003 0.00001 0.00001 0.00000 0.00001
|
|
160 8D-2 -0.00002 0.00000 0.00001 0.00001 0.00002
|
|
161 9D 0 0.00004 0.00000 0.00000 -0.00001 -0.00003
|
|
162 9D+1 0.00001 0.00002 -0.00005 -0.00004 -0.00007
|
|
163 9D-1 -0.00005 0.00001 -0.00006 -0.00004 -0.00008
|
|
164 9D+2 0.00006 0.00001 0.00003 0.00002 0.00004
|
|
165 9D-2 -0.00004 0.00001 -0.00005 -0.00003 -0.00005
|
|
166 6 H 1S 0.00097 -0.00143 0.00040 0.00011 -0.00037
|
|
167 2S 0.00069 -0.00190 0.00026 0.00002 -0.00075
|
|
168 3S -0.00086 0.00021 0.00014 0.00006 0.00097
|
|
169 4S -0.00007 0.00005 0.00003 0.00002 0.00011
|
|
170 5PX -0.00006 0.00004 0.00003 0.00003 0.00006
|
|
171 5PY 0.00004 0.00006 0.00005 0.00002 0.00008
|
|
172 5PZ 0.00008 -0.00011 0.00008 0.00005 0.00004
|
|
173 6PX -0.00003 -0.00004 0.00016 0.00013 0.00018
|
|
174 6PY 0.00041 0.00004 0.00026 0.00009 0.00025
|
|
175 6PZ -0.00004 -0.00005 0.00011 0.00010 0.00015
|
|
176 7PX 0.00026 -0.00011 0.00014 0.00005 -0.00001
|
|
177 7PY 0.00009 -0.00010 0.00005 0.00003 -0.00002
|
|
178 7PZ -0.00025 0.00015 0.00001 0.00002 0.00021
|
|
179 8D 0 0.00003 -0.00002 0.00004 0.00003 0.00004
|
|
180 8D+1 -0.00002 0.00001 0.00000 0.00001 0.00001
|
|
181 8D-1 0.00003 0.00002 0.00002 0.00001 0.00003
|
|
182 8D+2 0.00003 0.00001 0.00001 0.00000 0.00001
|
|
183 8D-2 -0.00001 -0.00001 -0.00002 -0.00001 -0.00003
|
|
184 9D 0 0.00003 0.00001 0.00003 0.00002 0.00004
|
|
185 9D+1 0.00000 -0.00003 0.00002 0.00002 0.00002
|
|
186 9D-1 0.00005 -0.00002 0.00003 0.00001 0.00002
|
|
187 9D+2 0.00006 0.00000 0.00002 0.00000 0.00001
|
|
188 9D-2 -0.00004 0.00001 -0.00004 -0.00002 -0.00004
|
|
156 157 158 159 160
|
|
156 8D 0 0.00001
|
|
157 8D+1 0.00000 0.00001
|
|
158 8D-1 0.00000 0.00000 0.00001
|
|
159 8D+2 0.00000 0.00000 0.00000 0.00000
|
|
160 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
161 9D 0 0.00000 0.00000 -0.00001 0.00000 0.00000
|
|
162 9D+1 -0.00001 -0.00001 -0.00001 0.00000 0.00000
|
|
163 9D-1 -0.00001 -0.00001 0.00000 0.00000 0.00000
|
|
164 9D+2 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
165 9D-2 -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
166 6 H 1S 0.00028 -0.00014 -0.00011 -0.00004 -0.00019
|
|
167 2S 0.00032 -0.00022 -0.00011 -0.00011 -0.00023
|
|
168 3S -0.00012 -0.00001 0.00006 -0.00005 0.00008
|
|
169 4S -0.00001 0.00001 0.00001 0.00000 0.00001
|
|
170 5PX 0.00000 0.00001 0.00001 0.00000 0.00001
|
|
171 5PY 0.00000 0.00001 0.00000 0.00001 0.00001
|
|
172 5PZ 0.00003 0.00000 0.00000 0.00000 -0.00001
|
|
173 6PX 0.00002 0.00001 0.00002 -0.00001 0.00001
|
|
174 6PY 0.00003 0.00002 -0.00003 0.00003 -0.00001
|
|
175 6PZ 0.00002 0.00001 0.00002 -0.00001 0.00001
|
|
176 7PX 0.00004 0.00000 -0.00002 0.00001 -0.00002
|
|
177 7PY 0.00003 -0.00001 -0.00001 0.00000 -0.00001
|
|
178 7PZ -0.00004 0.00001 0.00003 -0.00001 0.00003
|
|
179 8D 0 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
180 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
181 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
182 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
183 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
184 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
185 9D+1 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
186 9D-1 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
187 9D+2 0.00000 0.00000 -0.00001 0.00001 0.00000
|
|
188 9D-2 -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
161 162 163 164 165
|
|
161 9D 0 0.00001
|
|
162 9D+1 0.00001 0.00001
|
|
163 9D-1 0.00000 0.00001 0.00002
|
|
164 9D+2 0.00000 0.00000 -0.00001 0.00001
|
|
165 9D-2 0.00000 0.00001 0.00001 -0.00001 0.00001
|
|
166 6 H 1S 0.00020 -0.00028 -0.00013 -0.00004 -0.00022
|
|
167 2S 0.00025 -0.00035 -0.00008 -0.00014 -0.00023
|
|
168 3S -0.00009 -0.00001 0.00007 -0.00007 0.00012
|
|
169 4S -0.00002 0.00000 0.00000 0.00000 0.00001
|
|
170 5PX -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
171 5PY 0.00000 0.00001 -0.00001 0.00001 0.00000
|
|
172 5PZ 0.00001 -0.00003 -0.00002 0.00000 -0.00002
|
|
173 6PX 0.00000 -0.00002 -0.00001 0.00000 -0.00002
|
|
174 6PY 0.00003 0.00000 -0.00005 0.00006 -0.00004
|
|
175 6PZ -0.00001 -0.00003 -0.00002 0.00000 -0.00001
|
|
176 7PX 0.00003 -0.00002 -0.00003 0.00002 -0.00004
|
|
177 7PY 0.00002 -0.00002 -0.00001 0.00000 -0.00002
|
|
178 7PZ -0.00004 0.00002 0.00002 -0.00001 0.00004
|
|
179 8D 0 0.00000 -0.00001 -0.00001 0.00000 -0.00001
|
|
180 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
181 8D-1 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
182 8D+2 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
183 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
184 9D 0 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
185 9D+1 0.00000 -0.00001 -0.00001 0.00000 -0.00001
|
|
186 9D-1 0.00000 -0.00001 -0.00001 0.00001 -0.00001
|
|
187 9D+2 0.00001 0.00000 -0.00001 0.00001 0.00000
|
|
188 9D-2 0.00000 0.00001 0.00001 0.00000 0.00001
|
|
166 167 168 169 170
|
|
166 6 H 1S 0.03768
|
|
167 2S 0.04809 0.06240
|
|
168 3S -0.00466 -0.00416 0.01270
|
|
169 4S -0.00129 -0.00155 0.00095 0.00011
|
|
170 5PX -0.00143 -0.00178 0.00018 0.00005 0.00007
|
|
171 5PY -0.00124 -0.00168 0.00021 0.00005 0.00004
|
|
172 5PZ 0.00270 0.00340 -0.00043 -0.00009 -0.00010
|
|
173 6PX -0.00024 -0.00025 -0.00016 0.00001 0.00006
|
|
174 6PY 0.00046 0.00006 -0.00041 -0.00002 -0.00003
|
|
175 6PZ 0.00037 0.00051 0.00000 0.00000 0.00001
|
|
176 7PX 0.00300 0.00356 -0.00162 -0.00017 -0.00010
|
|
177 7PY 0.00245 0.00305 -0.00085 -0.00012 -0.00008
|
|
178 7PZ -0.00424 -0.00509 0.00245 0.00027 0.00017
|
|
179 8D 0 0.00036 0.00044 -0.00007 -0.00001 -0.00001
|
|
180 8D+1 -0.00042 -0.00052 0.00004 0.00001 0.00002
|
|
181 8D-1 -0.00035 -0.00050 0.00004 0.00001 0.00001
|
|
182 8D+2 0.00007 0.00005 -0.00002 0.00000 -0.00001
|
|
183 8D-2 0.00019 0.00026 -0.00002 -0.00001 -0.00001
|
|
184 9D 0 -0.00033 -0.00045 -0.00003 0.00001 0.00002
|
|
185 9D+1 0.00059 0.00075 -0.00010 -0.00002 -0.00002
|
|
186 9D-1 0.00062 0.00073 -0.00010 -0.00002 -0.00003
|
|
187 9D+2 0.00022 0.00021 -0.00008 -0.00001 -0.00001
|
|
188 9D-2 -0.00039 -0.00046 0.00009 0.00001 0.00001
|
|
171 172 173 174 175
|
|
171 5PY 0.00006
|
|
172 5PZ -0.00008 0.00020
|
|
173 6PX 0.00001 0.00001 0.00016
|
|
174 6PY 0.00007 0.00005 -0.00001 0.00043
|
|
175 6PZ -0.00001 0.00005 0.00009 -0.00002 0.00008
|
|
176 7PX -0.00008 0.00023 0.00004 0.00019 0.00004
|
|
177 7PY -0.00008 0.00018 0.00002 0.00005 0.00004
|
|
178 7PZ 0.00015 -0.00031 0.00003 -0.00013 -0.00002
|
|
179 8D 0 -0.00001 0.00003 0.00002 0.00003 0.00002
|
|
180 8D+1 0.00001 -0.00003 0.00002 -0.00002 0.00000
|
|
181 8D-1 0.00002 -0.00002 0.00000 0.00004 -0.00001
|
|
182 8D+2 0.00000 0.00000 -0.00001 0.00003 -0.00001
|
|
183 8D-2 -0.00001 0.00001 -0.00001 -0.00002 0.00000
|
|
184 9D 0 0.00002 -0.00002 0.00002 0.00004 0.00000
|
|
185 9D+1 -0.00002 0.00005 0.00001 -0.00001 0.00002
|
|
186 9D-1 -0.00001 0.00005 -0.00001 0.00005 0.00001
|
|
187 9D+2 0.00000 0.00002 -0.00001 0.00006 -0.00001
|
|
188 9D-2 0.00001 -0.00003 -0.00001 -0.00004 -0.00001
|
|
176 177 178 179 180
|
|
176 7PX 0.00043
|
|
177 7PY 0.00026 0.00019
|
|
178 7PZ -0.00053 -0.00036 0.00079
|
|
179 8D 0 0.00004 0.00003 -0.00004 0.00001
|
|
180 8D+1 -0.00003 -0.00002 0.00005 0.00000 0.00001
|
|
181 8D-1 -0.00002 -0.00002 0.00004 0.00000 0.00000
|
|
182 8D+2 0.00001 0.00000 -0.00001 0.00000 0.00000
|
|
183 8D-2 0.00001 0.00001 -0.00002 0.00000 0.00000
|
|
184 9D 0 0.00000 -0.00001 0.00003 0.00000 0.00000
|
|
185 9D+1 0.00005 0.00004 -0.00007 0.00001 -0.00001
|
|
186 9D-1 0.00006 0.00004 -0.00008 0.00001 -0.00001
|
|
187 9D+2 0.00003 0.00002 -0.00004 0.00000 0.00000
|
|
188 9D-2 -0.00005 -0.00003 0.00005 -0.00001 0.00000
|
|
181 182 183 184 185
|
|
181 8D-1 0.00001
|
|
182 8D+2 0.00000 0.00000
|
|
183 8D-2 0.00000 0.00000 0.00000
|
|
184 9D 0 0.00001 0.00000 0.00000 0.00001
|
|
185 9D+1 -0.00001 0.00000 0.00000 -0.00001 0.00001
|
|
186 9D-1 0.00000 0.00000 0.00000 0.00000 0.00001
|
|
187 9D+2 0.00000 0.00001 0.00000 0.00000 0.00000
|
|
188 9D-2 0.00000 0.00000 0.00000 0.00000 -0.00001
|
|
186 187 188
|
|
186 9D-1 0.00002
|
|
187 9D+2 0.00001 0.00001
|
|
188 9D-2 -0.00001 -0.00001 0.00001
|
|
Full Mulliken population analysis:
|
|
1 2 3 4 5
|
|
1 1 C 1S 1.97936
|
|
2 2S -0.01726 0.39218
|
|
3 3S 0.02499 0.06374 0.02140
|
|
4 4S -0.00816 0.13083 0.01846 0.10968
|
|
5 5S 0.00032 -0.00843 -0.00102 -0.00550 0.00169
|
|
6 6PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
7 6PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
8 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
9 7PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
10 7PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
11 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
12 8PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
13 8PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
14 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
15 9PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
16 9PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
17 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
18 10D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
19 10D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
20 10D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
21 10D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
22 10D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
23 11D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
24 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
25 11D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
26 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
27 11D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
28 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
29 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
30 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
31 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
32 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
33 13F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
34 13F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
35 13F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
36 13F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
37 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
38 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
39 13F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
40 14F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
41 14F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
42 14F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
43 14F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
44 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
45 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
46 14F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
47 2 S 1S 0.00000 0.00000 0.00000 -0.00013 0.00001
|
|
48 2S 0.00000 -0.00005 0.00000 0.00327 -0.00040
|
|
49 3S -0.00002 0.00037 -0.00006 -0.02253 0.00660
|
|
50 4S 0.00000 -0.00019 -0.00001 -0.00149 0.00056
|
|
51 5S 0.00046 -0.00145 -0.00018 -0.01561 0.00773
|
|
52 6S 0.00009 0.00438 0.00058 0.00756 -0.00081
|
|
53 7PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
54 7PY 0.00000 -0.00052 0.00000 0.00177 0.00012
|
|
55 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
56 8PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
57 8PY -0.00104 0.03068 0.00312 -0.01293 -0.00182
|
|
58 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
59 9PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
60 9PY -0.00001 0.00349 0.00014 -0.00150 -0.00022
|
|
61 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
62 10PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
63 10PY -0.00071 0.02535 0.00329 -0.00793 -0.00232
|
|
64 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
65 11PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
66 11PY 0.00002 0.00099 0.00013 0.00134 -0.00029
|
|
67 11PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
68 12D 0 -0.00006 0.00172 0.00028 0.00018 -0.00002
|
|
69 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
70 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
71 12D+2 -0.00035 0.00721 0.00115 -0.00083 -0.00008
|
|
72 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
73 13D 0 0.00000 0.00038 0.00003 0.00000 0.00000
|
|
74 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
75 13D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
76 13D+2 -0.00001 0.00149 0.00011 -0.00025 -0.00001
|
|
77 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
78 14D 0 0.00001 0.00060 0.00010 0.00031 -0.00004
|
|
79 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
80 14D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
81 14D+2 0.00003 0.00210 0.00035 0.00013 -0.00004
|
|
82 14D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
83 15F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
84 15F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
85 15F-1 -0.00002 0.00038 0.00007 -0.00003 0.00000
|
|
86 15F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
87 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
88 15F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
89 15F-3 -0.00002 0.00047 0.00008 -0.00002 0.00000
|
|
90 16F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
91 16F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
92 16F-1 0.00004 0.00018 0.00005 0.00002 0.00000
|
|
93 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
94 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
95 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
96 16F-3 0.00002 0.00040 0.00010 0.00013 0.00000
|
|
97 3 H 1S 0.00000 -0.00002 0.00000 0.00020 0.00021
|
|
98 2S 0.00000 -0.00028 -0.00001 0.00122 0.00065
|
|
99 3S 0.00003 -0.00048 -0.00003 0.00480 0.00024
|
|
100 4S 0.00001 0.00020 0.00003 0.00154 -0.00005
|
|
101 5PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
102 5PY 0.00000 0.00000 0.00000 -0.00001 0.00000
|
|
103 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
104 6PX 0.00000 0.00002 0.00000 -0.00012 0.00002
|
|
105 6PY 0.00000 0.00014 0.00001 -0.00013 -0.00003
|
|
106 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
107 7PX 0.00002 -0.00009 0.00000 0.00039 -0.00001
|
|
108 7PY -0.00001 -0.00014 -0.00001 0.00092 -0.00005
|
|
109 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
110 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
111 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
112 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
113 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
114 8D-2 0.00000 0.00001 0.00000 -0.00001 0.00000
|
|
115 9D 0 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
116 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
117 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
118 9D+2 0.00000 0.00001 0.00000 0.00005 0.00000
|
|
119 9D-2 0.00000 0.00008 0.00001 -0.00001 0.00000
|
|
120 4 H 1S -0.00027 0.01735 0.00159 0.01347 0.00010
|
|
121 2S -0.00277 0.04421 0.00573 0.03357 0.00041
|
|
122 3S -0.00067 0.00036 0.00002 0.00718 -0.00132
|
|
123 4S -0.00003 0.00034 0.00003 -0.00115 -0.00030
|
|
124 5PX -0.00008 0.00161 0.00027 0.00049 0.00000
|
|
125 5PY -0.00001 0.00013 0.00002 0.00001 0.00000
|
|
126 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
127 6PX -0.00045 0.00193 0.00035 0.00048 -0.00001
|
|
128 6PY -0.00007 0.00016 0.00001 -0.00044 0.00000
|
|
129 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
130 7PX 0.00003 -0.00360 -0.00054 -0.00188 -0.00016
|
|
131 7PY -0.00001 -0.00054 -0.00009 -0.00042 0.00001
|
|
132 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
133 8D 0 -0.00003 0.00007 0.00002 0.00001 0.00000
|
|
134 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
135 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
136 8D+2 -0.00005 0.00011 0.00004 0.00003 0.00000
|
|
137 8D-2 -0.00003 0.00006 0.00002 0.00000 0.00000
|
|
138 9D 0 0.00005 -0.00049 -0.00013 -0.00012 0.00000
|
|
139 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
140 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
141 9D+2 0.00013 -0.00100 -0.00025 -0.00009 0.00000
|
|
142 9D-2 0.00001 -0.00038 -0.00010 -0.00014 0.00000
|
|
143 5 H 1S -0.00028 0.01788 0.00169 0.01088 -0.00081
|
|
144 2S -0.00292 0.04604 0.00610 0.02483 -0.00258
|
|
145 3S -0.00067 0.00097 -0.00005 -0.00830 0.00068
|
|
146 4S -0.00001 -0.00031 -0.00004 -0.00080 0.00020
|
|
147 5PX -0.00002 0.00034 0.00006 0.00010 0.00000
|
|
148 5PY -0.00001 0.00022 0.00004 0.00002 0.00000
|
|
149 5PZ -0.00006 0.00120 0.00021 0.00031 -0.00001
|
|
150 6PX -0.00010 0.00037 0.00006 0.00019 0.00001
|
|
151 6PY -0.00014 0.00059 0.00009 -0.00056 -0.00001
|
|
152 6PZ -0.00040 0.00177 0.00032 0.00030 -0.00003
|
|
153 7PX 0.00000 -0.00054 -0.00010 -0.00098 0.00003
|
|
154 7PY -0.00002 -0.00084 -0.00014 -0.00060 0.00004
|
|
155 7PZ 0.00005 -0.00307 -0.00049 -0.00279 0.00014
|
|
156 8D 0 -0.00003 0.00006 0.00002 0.00001 0.00000
|
|
157 8D+1 -0.00004 0.00010 0.00004 0.00002 0.00000
|
|
158 8D-1 -0.00004 0.00008 0.00003 0.00000 0.00000
|
|
159 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
160 8D-2 -0.00001 0.00002 0.00001 0.00000 0.00000
|
|
161 9D 0 0.00006 -0.00045 -0.00011 -0.00005 0.00000
|
|
162 9D+1 0.00008 -0.00073 -0.00019 -0.00013 0.00000
|
|
163 9D-1 0.00001 -0.00039 -0.00011 -0.00014 0.00000
|
|
164 9D+2 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
165 9D-2 0.00000 -0.00009 -0.00002 -0.00004 0.00000
|
|
166 6 H 1S -0.00028 0.01788 0.00169 0.01088 -0.00081
|
|
167 2S -0.00292 0.04604 0.00610 0.02483 -0.00258
|
|
168 3S -0.00067 0.00097 -0.00005 -0.00830 0.00068
|
|
169 4S -0.00001 -0.00031 -0.00004 -0.00080 0.00020
|
|
170 5PX -0.00002 0.00034 0.00006 0.00010 0.00000
|
|
171 5PY -0.00001 0.00022 0.00004 0.00002 0.00000
|
|
172 5PZ -0.00006 0.00120 0.00021 0.00031 -0.00001
|
|
173 6PX -0.00010 0.00037 0.00006 0.00019 0.00001
|
|
174 6PY -0.00014 0.00059 0.00009 -0.00056 -0.00001
|
|
175 6PZ -0.00040 0.00177 0.00032 0.00030 -0.00003
|
|
176 7PX 0.00000 -0.00054 -0.00010 -0.00098 0.00003
|
|
177 7PY -0.00002 -0.00084 -0.00014 -0.00060 0.00004
|
|
178 7PZ 0.00005 -0.00307 -0.00049 -0.00279 0.00014
|
|
179 8D 0 -0.00003 0.00006 0.00002 0.00001 0.00000
|
|
180 8D+1 -0.00004 0.00010 0.00004 0.00002 0.00000
|
|
181 8D-1 -0.00004 0.00008 0.00003 0.00000 0.00000
|
|
182 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
183 8D-2 -0.00001 0.00002 0.00001 0.00000 0.00000
|
|
184 9D 0 0.00006 -0.00045 -0.00011 -0.00005 0.00000
|
|
185 9D+1 0.00008 -0.00073 -0.00019 -0.00013 0.00000
|
|
186 9D-1 0.00001 -0.00039 -0.00011 -0.00014 0.00000
|
|
187 9D+2 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
188 9D-2 0.00000 -0.00009 -0.00002 -0.00004 0.00000
|
|
6 7 8 9 10
|
|
6 6PX 0.11521
|
|
7 6PY 0.00000 0.08721
|
|
8 6PZ 0.00000 0.00000 0.11605
|
|
9 7PX 0.09313 0.00000 0.00000 0.20131
|
|
10 7PY 0.00000 0.07343 0.00000 0.00000 0.16551
|
|
11 7PZ 0.00000 0.00000 0.09396 0.00000 0.00000
|
|
12 8PX 0.02641 0.00000 0.00000 0.10612 0.00000
|
|
13 8PY 0.00000 0.01772 0.00000 0.00000 0.07402
|
|
14 8PZ 0.00000 0.00000 0.02469 0.00000 0.00000
|
|
15 9PX 0.00034 0.00000 0.00000 0.00182 0.00000
|
|
16 9PY 0.00000 0.00042 0.00000 0.00000 0.00235
|
|
17 9PZ 0.00000 0.00000 0.00039 0.00000 0.00000
|
|
18 10D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
19 10D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
20 10D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
21 10D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
22 10D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
23 11D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
24 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
25 11D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
26 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
27 11D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
28 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
29 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
30 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
31 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
32 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
33 13F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
34 13F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
35 13F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
36 13F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
37 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
38 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
39 13F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
40 14F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
41 14F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
42 14F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
43 14F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
44 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
45 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
46 14F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
47 2 S 1S 0.00000 0.00000 0.00000 0.00000 0.00003
|
|
48 2S 0.00000 0.00000 0.00000 0.00000 -0.00102
|
|
49 3S 0.00000 0.00203 0.00000 0.00000 0.01423
|
|
50 4S 0.00000 0.00003 0.00000 0.00000 0.00064
|
|
51 5S 0.00000 -0.00094 0.00000 0.00000 -0.00455
|
|
52 6S 0.00000 -0.00049 0.00000 0.00000 -0.00274
|
|
53 7PX 0.00000 0.00000 0.00000 -0.00001 0.00000
|
|
54 7PY 0.00000 -0.00002 0.00000 0.00000 -0.00246
|
|
55 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
56 8PX -0.00008 0.00000 0.00000 -0.00043 0.00000
|
|
57 8PY 0.00000 0.01822 0.00000 0.00000 0.07689
|
|
58 8PZ 0.00000 0.00000 -0.00023 0.00000 0.00000
|
|
59 9PX 0.00000 0.00000 0.00000 -0.00006 0.00000
|
|
60 9PY 0.00000 0.00126 0.00000 0.00000 0.01488
|
|
61 9PZ 0.00000 0.00000 -0.00001 0.00000 0.00000
|
|
62 10PX -0.00083 0.00000 0.00000 -0.00415 0.00000
|
|
63 10PY 0.00000 0.00519 0.00000 0.00000 0.02015
|
|
64 10PZ 0.00000 0.00000 -0.00146 0.00000 0.00000
|
|
65 11PX -0.00005 0.00000 0.00000 -0.00026 0.00000
|
|
66 11PY 0.00000 0.00000 0.00000 0.00000 0.00001
|
|
67 11PZ 0.00000 0.00000 -0.00019 0.00000 0.00000
|
|
68 12D 0 0.00000 0.00050 0.00000 0.00000 0.00120
|
|
69 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
70 12D-1 0.00000 0.00000 0.00076 0.00000 0.00000
|
|
71 12D+2 0.00000 0.00262 0.00000 0.00000 0.00619
|
|
72 12D-2 0.00087 0.00000 0.00000 0.00360 0.00000
|
|
73 13D 0 0.00000 0.00016 0.00000 0.00000 0.00081
|
|
74 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
75 13D-1 0.00000 0.00000 0.00006 0.00000 0.00000
|
|
76 13D+2 0.00000 0.00065 0.00000 0.00000 0.00333
|
|
77 13D-2 0.00007 0.00000 0.00000 0.00077 0.00000
|
|
78 14D 0 0.00000 0.00001 0.00000 0.00000 -0.00002
|
|
79 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
80 14D-1 0.00000 0.00000 -0.00023 0.00000 0.00000
|
|
81 14D+2 0.00000 0.00002 0.00000 0.00000 -0.00004
|
|
82 14D-2 -0.00045 0.00000 0.00000 -0.00194 0.00000
|
|
83 15F 0 0.00000 0.00000 0.00006 0.00000 0.00000
|
|
84 15F+1 0.00000 0.00000 0.00000 0.00002 0.00000
|
|
85 15F-1 0.00000 0.00034 0.00000 0.00000 0.00056
|
|
86 15F+2 0.00000 0.00000 0.00011 0.00000 0.00000
|
|
87 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
88 15F+3 0.00020 0.00000 0.00000 0.00079 0.00000
|
|
89 15F-3 0.00000 0.00036 0.00000 0.00000 0.00058
|
|
90 16F 0 0.00000 0.00000 -0.00001 0.00000 0.00000
|
|
91 16F+1 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
92 16F-1 0.00000 0.00002 0.00000 0.00000 0.00001
|
|
93 16F+2 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
94 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
95 16F+3 0.00001 0.00000 0.00000 0.00004 0.00000
|
|
96 16F-3 0.00000 -0.00005 0.00000 0.00000 -0.00003
|
|
97 3 H 1S 0.00000 0.00000 0.00000 -0.00004 -0.00007
|
|
98 2S -0.00005 -0.00005 0.00000 -0.00062 -0.00067
|
|
99 3S -0.00021 -0.00058 0.00000 -0.00114 -0.00343
|
|
100 4S -0.00001 -0.00006 0.00000 -0.00004 -0.00034
|
|
101 5PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
102 5PY 0.00000 0.00000 0.00000 0.00000 0.00002
|
|
103 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
104 6PX 0.00000 0.00001 0.00000 0.00002 0.00013
|
|
105 6PY 0.00000 0.00004 0.00000 0.00005 0.00045
|
|
106 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
107 7PX 0.00000 -0.00014 0.00000 0.00000 -0.00070
|
|
108 7PY 0.00017 -0.00018 0.00000 0.00085 -0.00082
|
|
109 7PZ 0.00000 0.00000 -0.00003 0.00000 0.00000
|
|
110 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
111 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
112 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
113 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
114 8D-2 0.00000 0.00000 0.00000 0.00000 0.00003
|
|
115 9D 0 0.00000 -0.00001 0.00000 0.00002 -0.00003
|
|
116 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
117 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
118 9D+2 0.00000 -0.00001 0.00000 0.00002 -0.00002
|
|
119 9D-2 0.00002 0.00003 0.00000 0.00007 0.00012
|
|
120 4 H 1S 0.01074 0.00081 0.00000 0.04348 0.00334
|
|
121 2S 0.02091 0.00113 0.00000 0.07199 0.00398
|
|
122 3S -0.00214 0.00034 0.00000 -0.00973 0.00159
|
|
123 4S -0.00005 -0.00001 0.00000 -0.00026 -0.00005
|
|
124 5PX 0.00140 0.00018 0.00000 0.00190 0.00034
|
|
125 5PY 0.00021 0.00004 0.00000 0.00039 0.00024
|
|
126 5PZ 0.00000 0.00000 0.00012 0.00000 0.00000
|
|
127 6PX -0.00004 0.00005 0.00000 -0.00005 0.00009
|
|
128 6PY 0.00002 0.00102 0.00000 0.00006 0.00391
|
|
129 6PZ 0.00000 0.00000 0.00102 0.00000 0.00000
|
|
130 7PX 0.00047 0.00001 0.00000 0.00303 0.00004
|
|
131 7PY -0.00010 0.00009 0.00000 -0.00038 0.00045
|
|
132 7PZ 0.00000 0.00000 0.00002 0.00000 0.00000
|
|
133 8D 0 0.00010 0.00000 0.00000 0.00002 0.00000
|
|
134 8D+1 0.00000 0.00000 0.00017 0.00000 0.00000
|
|
135 8D-1 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
136 8D+2 0.00019 0.00015 0.00000 0.00000 0.00019
|
|
137 8D-2 0.00015 0.00009 0.00000 0.00009 0.00022
|
|
138 9D 0 0.00002 0.00000 0.00000 0.00012 0.00003
|
|
139 9D+1 0.00000 0.00000 0.00022 0.00000 0.00000
|
|
140 9D-1 0.00000 0.00000 0.00002 0.00000 0.00000
|
|
141 9D+2 0.00005 0.00013 0.00000 0.00025 0.00034
|
|
142 9D-2 -0.00005 0.00033 0.00000 -0.00004 0.00093
|
|
143 5 H 1S 0.00230 0.00136 0.00792 0.00930 0.00548
|
|
144 2S 0.00489 0.00181 0.01602 0.01680 0.00608
|
|
145 3S -0.00037 -0.00042 -0.00061 -0.00169 -0.00196
|
|
146 4S -0.00001 0.00000 -0.00003 -0.00004 -0.00003
|
|
147 5PX 0.00000 0.00006 0.00037 0.00005 0.00012
|
|
148 5PY 0.00008 0.00001 0.00026 0.00014 0.00012
|
|
149 5PZ 0.00037 0.00022 0.00060 0.00071 0.00041
|
|
150 6PX 0.00046 0.00001 0.00049 0.00206 0.00002
|
|
151 6PY 0.00006 0.00095 0.00012 0.00013 0.00396
|
|
152 6PZ 0.00051 0.00002 -0.00022 0.00111 0.00002
|
|
153 7PX 0.00051 -0.00009 -0.00017 0.00238 -0.00034
|
|
154 7PY -0.00006 0.00025 -0.00012 -0.00023 0.00115
|
|
155 7PZ -0.00015 -0.00015 0.00048 -0.00057 -0.00059
|
|
156 8D 0 0.00015 0.00010 0.00001 0.00017 0.00012
|
|
157 8D+1 0.00000 0.00006 0.00017 0.00002 0.00005
|
|
158 8D-1 0.00008 0.00003 0.00012 0.00007 0.00010
|
|
159 8D+2 0.00003 0.00005 0.00000 0.00005 0.00009
|
|
160 8D-2 0.00000 0.00001 0.00008 0.00000 0.00003
|
|
161 9D 0 0.00006 0.00005 0.00014 0.00014 0.00014
|
|
162 9D+1 0.00014 -0.00002 -0.00001 0.00042 -0.00004
|
|
163 9D-1 -0.00002 0.00025 -0.00002 -0.00003 0.00072
|
|
164 9D+2 0.00005 0.00014 0.00001 0.00012 0.00039
|
|
165 9D-2 0.00005 0.00010 -0.00002 0.00015 0.00028
|
|
166 6 H 1S 0.00230 0.00136 0.00792 0.00930 0.00548
|
|
167 2S 0.00489 0.00181 0.01602 0.01680 0.00608
|
|
168 3S -0.00037 -0.00042 -0.00061 -0.00169 -0.00196
|
|
169 4S -0.00001 0.00000 -0.00003 -0.00004 -0.00003
|
|
170 5PX 0.00000 0.00006 0.00037 0.00005 0.00012
|
|
171 5PY 0.00008 0.00001 0.00026 0.00014 0.00012
|
|
172 5PZ 0.00037 0.00022 0.00060 0.00071 0.00041
|
|
173 6PX 0.00046 0.00001 0.00049 0.00206 0.00002
|
|
174 6PY 0.00006 0.00095 0.00012 0.00013 0.00396
|
|
175 6PZ 0.00051 0.00002 -0.00022 0.00111 0.00002
|
|
176 7PX 0.00051 -0.00009 -0.00017 0.00238 -0.00034
|
|
177 7PY -0.00006 0.00025 -0.00012 -0.00023 0.00115
|
|
178 7PZ -0.00015 -0.00015 0.00048 -0.00057 -0.00059
|
|
179 8D 0 0.00015 0.00010 0.00001 0.00017 0.00012
|
|
180 8D+1 0.00000 0.00006 0.00017 0.00002 0.00005
|
|
181 8D-1 0.00008 0.00003 0.00012 0.00007 0.00010
|
|
182 8D+2 0.00003 0.00005 0.00000 0.00005 0.00009
|
|
183 8D-2 0.00000 0.00001 0.00008 0.00000 0.00003
|
|
184 9D 0 0.00006 0.00005 0.00014 0.00014 0.00014
|
|
185 9D+1 0.00014 -0.00002 -0.00001 0.00042 -0.00004
|
|
186 9D-1 -0.00002 0.00025 -0.00002 -0.00003 0.00072
|
|
187 9D+2 0.00005 0.00014 0.00001 0.00012 0.00039
|
|
188 9D-2 0.00005 0.00010 -0.00002 0.00015 0.00028
|
|
11 12 13 14 15
|
|
11 7PZ 0.20337
|
|
12 8PX 0.00000 0.12398
|
|
13 8PY 0.00000 0.00000 0.07447
|
|
14 8PZ 0.09933 0.00000 0.00000 0.10684
|
|
15 9PX 0.00000 0.00397 0.00000 0.00000 0.00038
|
|
16 9PY 0.00000 0.00000 0.00429 0.00000 0.00000
|
|
17 9PZ 0.00214 0.00000 0.00000 0.00425 0.00000
|
|
18 10D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
19 10D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
20 10D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
21 10D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
22 10D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
23 11D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
24 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
25 11D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
26 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
27 11D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
28 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
29 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
30 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
31 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
32 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
33 13F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
34 13F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
35 13F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
36 13F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
37 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
38 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
39 13F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
40 14F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
41 14F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
42 14F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
43 14F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
44 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
45 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
46 14F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
47 2 S 1S 0.00000 0.00000 0.00002 0.00000 0.00000
|
|
48 2S 0.00000 0.00000 -0.00058 0.00000 0.00000
|
|
49 3S 0.00000 0.00000 0.00515 0.00000 0.00000
|
|
50 4S 0.00000 0.00000 0.00013 0.00000 0.00000
|
|
51 5S 0.00000 0.00000 -0.01706 0.00000 0.00000
|
|
52 6S 0.00000 0.00000 -0.00477 0.00000 0.00000
|
|
53 7PX 0.00000 0.00023 0.00000 0.00000 0.00002
|
|
54 7PY 0.00000 0.00000 -0.00154 0.00000 0.00000
|
|
55 7PZ 0.00002 0.00000 0.00000 0.00032 0.00000
|
|
56 8PX 0.00000 -0.00345 0.00000 0.00000 -0.00085
|
|
57 8PY 0.00000 0.00000 0.03831 0.00000 0.00000
|
|
58 8PZ -0.00161 0.00000 0.00000 -0.00155 0.00000
|
|
59 9PX 0.00000 -0.00049 0.00000 0.00000 -0.00011
|
|
60 9PY 0.00000 0.00000 0.00835 0.00000 0.00000
|
|
61 9PZ -0.00020 0.00000 0.00000 -0.00016 0.00000
|
|
62 10PX 0.00000 -0.01013 0.00000 0.00000 -0.00135
|
|
63 10PY 0.00000 0.00000 0.01092 0.00000 0.00000
|
|
64 10PZ -0.00747 0.00000 0.00000 -0.01049 0.00000
|
|
65 11PX 0.00000 -0.00073 0.00000 0.00000 -0.00002
|
|
66 11PY 0.00000 0.00000 -0.00004 0.00000 0.00000
|
|
67 11PZ -0.00108 0.00000 0.00000 -0.00218 0.00000
|
|
68 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
69 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
70 12D-1 0.00316 0.00000 0.00000 0.00252 0.00000
|
|
71 12D+2 0.00000 0.00000 -0.00002 0.00000 0.00000
|
|
72 12D-2 0.00000 0.00310 0.00000 0.00000 0.00005
|
|
73 13D 0 0.00000 0.00000 0.00007 0.00000 0.00000
|
|
74 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
75 13D-1 0.00068 0.00000 0.00000 0.00056 0.00000
|
|
76 13D+2 0.00000 0.00000 0.00031 0.00000 0.00000
|
|
77 13D-2 0.00000 0.00069 0.00000 0.00000 0.00001
|
|
78 14D 0 0.00000 0.00000 -0.00017 0.00000 0.00000
|
|
79 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
80 14D-1 -0.00099 0.00000 0.00000 -0.00106 0.00000
|
|
81 14D+2 0.00000 0.00000 -0.00033 0.00000 0.00000
|
|
82 14D-2 0.00000 -0.00255 0.00000 0.00000 -0.00006
|
|
83 15F 0 0.00024 0.00000 0.00000 0.00008 0.00000
|
|
84 15F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
85 15F-1 0.00000 0.00000 -0.00004 0.00000 0.00000
|
|
86 15F+2 0.00045 0.00000 0.00000 0.00015 0.00000
|
|
87 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
88 15F+3 0.00000 0.00031 0.00000 0.00000 0.00000
|
|
89 15F-3 0.00000 0.00000 -0.00004 0.00000 0.00000
|
|
90 16F 0 -0.00003 0.00000 0.00000 -0.00001 0.00000
|
|
91 16F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
92 16F-1 0.00000 0.00000 -0.00002 0.00000 0.00000
|
|
93 16F+2 0.00002 0.00000 0.00000 0.00001 0.00000
|
|
94 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
95 16F+3 0.00000 0.00002 0.00000 0.00000 0.00000
|
|
96 16F-3 0.00000 0.00000 0.00004 0.00000 0.00000
|
|
97 3 H 1S 0.00000 -0.00074 -0.00112 0.00000 -0.00020
|
|
98 2S 0.00000 -0.00340 -0.00343 0.00000 -0.00079
|
|
99 3S 0.00000 -0.00268 -0.00655 0.00000 -0.00056
|
|
100 4S 0.00000 -0.00009 -0.00072 0.00000 -0.00005
|
|
101 5PX 0.00000 0.00000 -0.00004 0.00000 0.00000
|
|
102 5PY 0.00000 0.00001 0.00006 0.00000 0.00000
|
|
103 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
104 6PX 0.00000 0.00000 0.00012 0.00000 0.00000
|
|
105 6PY 0.00000 0.00004 0.00058 0.00000 0.00000
|
|
106 6PZ -0.00002 0.00000 0.00000 -0.00005 0.00000
|
|
107 7PX 0.00000 -0.00009 -0.00079 0.00000 -0.00004
|
|
108 7PY 0.00000 0.00139 -0.00064 0.00000 0.00003
|
|
109 7PZ -0.00018 0.00000 0.00000 -0.00033 0.00000
|
|
110 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
111 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
112 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
113 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
114 8D-2 0.00000 0.00000 0.00003 0.00000 0.00000
|
|
115 9D 0 0.00000 0.00001 -0.00001 0.00000 0.00000
|
|
116 9D+1 -0.00002 0.00000 0.00000 -0.00002 0.00000
|
|
117 9D-1 0.00000 0.00000 0.00000 -0.00001 0.00000
|
|
118 9D+2 0.00000 0.00000 0.00005 0.00000 -0.00001
|
|
119 9D-2 0.00000 0.00000 0.00008 0.00000 0.00000
|
|
120 4 H 1S 0.00000 0.02649 0.00202 0.00000 0.00050
|
|
121 2S 0.00000 0.06026 0.00349 0.00000 0.00147
|
|
122 3S 0.00000 -0.01408 0.00187 0.00000 -0.00031
|
|
123 4S 0.00000 -0.00062 -0.00011 0.00000 -0.00009
|
|
124 5PX 0.00000 -0.00010 0.00007 0.00000 -0.00001
|
|
125 5PY 0.00000 0.00009 0.00013 0.00000 0.00000
|
|
126 5PZ 0.00052 0.00000 0.00000 0.00030 0.00000
|
|
127 6PX 0.00000 0.00003 0.00004 0.00000 0.00000
|
|
128 6PY 0.00000 0.00008 0.00277 0.00000 0.00000
|
|
129 6PZ 0.00342 0.00000 0.00000 0.00254 0.00000
|
|
130 7PX 0.00000 0.00662 -0.00001 0.00000 0.00033
|
|
131 7PY 0.00000 -0.00036 0.00050 0.00000 -0.00001
|
|
132 7PZ 0.00008 0.00000 0.00000 0.00015 0.00000
|
|
133 8D 0 0.00000 -0.00002 0.00000 0.00000 0.00000
|
|
134 8D+1 0.00031 0.00000 0.00000 0.00007 0.00000
|
|
135 8D-1 0.00002 0.00000 0.00000 0.00000 0.00000
|
|
136 8D+2 0.00000 -0.00004 0.00003 0.00000 0.00000
|
|
137 8D-2 0.00000 0.00000 0.00005 0.00000 0.00000
|
|
138 9D 0 0.00000 0.00010 0.00003 0.00000 0.00000
|
|
139 9D+1 0.00057 0.00000 0.00000 0.00027 0.00000
|
|
140 9D-1 0.00004 0.00000 0.00000 0.00002 0.00000
|
|
141 9D+2 0.00000 0.00020 0.00011 0.00000 0.00000
|
|
142 9D-2 0.00000 0.00004 0.00043 0.00000 0.00000
|
|
143 5 H 1S 0.03203 0.00620 0.00316 0.01849 0.00010
|
|
144 2S 0.05518 0.01500 0.00504 0.04343 0.00034
|
|
145 3S -0.00273 -0.00251 -0.00224 -0.00402 -0.00001
|
|
146 4S -0.00015 -0.00010 -0.00005 -0.00036 -0.00001
|
|
147 5PX 0.00070 0.00004 0.00003 0.00015 0.00000
|
|
148 5PY 0.00049 0.00003 0.00007 0.00010 0.00000
|
|
149 5PZ 0.00065 0.00017 0.00009 -0.00019 0.00000
|
|
150 6PX 0.00106 0.00204 0.00001 0.00037 0.00005
|
|
151 6PY 0.00026 0.00001 0.00302 0.00010 0.00000
|
|
152 6PZ -0.00011 0.00043 0.00002 0.00036 0.00000
|
|
153 7PX -0.00065 0.00382 -0.00029 -0.00060 0.00009
|
|
154 7PY -0.00046 -0.00024 0.00147 -0.00043 0.00000
|
|
155 7PZ 0.00253 -0.00061 -0.00050 0.00435 -0.00001
|
|
156 8D 0 -0.00002 0.00003 0.00002 -0.00001 0.00000
|
|
157 8D+1 0.00008 0.00000 0.00000 -0.00001 0.00000
|
|
158 8D-1 0.00006 0.00001 0.00003 -0.00001 0.00000
|
|
159 8D+2 0.00000 0.00001 0.00002 0.00000 0.00000
|
|
160 8D-2 0.00007 0.00000 0.00001 0.00001 0.00000
|
|
161 9D 0 0.00046 0.00006 0.00004 0.00027 0.00000
|
|
162 9D+1 0.00003 0.00026 -0.00001 0.00005 0.00000
|
|
163 9D-1 0.00003 -0.00001 0.00036 0.00006 0.00000
|
|
164 9D+2 0.00001 0.00004 0.00016 0.00000 0.00000
|
|
165 9D-2 -0.00004 0.00010 0.00014 -0.00001 0.00000
|
|
166 6 H 1S 0.03203 0.00620 0.00316 0.01849 0.00010
|
|
167 2S 0.05518 0.01500 0.00504 0.04343 0.00034
|
|
168 3S -0.00273 -0.00251 -0.00224 -0.00402 -0.00001
|
|
169 4S -0.00015 -0.00010 -0.00005 -0.00036 -0.00001
|
|
170 5PX 0.00070 0.00004 0.00003 0.00015 0.00000
|
|
171 5PY 0.00049 0.00003 0.00007 0.00010 0.00000
|
|
172 5PZ 0.00065 0.00017 0.00009 -0.00019 0.00000
|
|
173 6PX 0.00106 0.00204 0.00001 0.00037 0.00005
|
|
174 6PY 0.00026 0.00001 0.00302 0.00010 0.00000
|
|
175 6PZ -0.00011 0.00043 0.00002 0.00036 0.00000
|
|
176 7PX -0.00065 0.00382 -0.00029 -0.00060 0.00009
|
|
177 7PY -0.00046 -0.00024 0.00147 -0.00043 0.00000
|
|
178 7PZ 0.00253 -0.00061 -0.00050 0.00435 -0.00001
|
|
179 8D 0 -0.00002 0.00003 0.00002 -0.00001 0.00000
|
|
180 8D+1 0.00008 0.00000 0.00000 -0.00001 0.00000
|
|
181 8D-1 0.00006 0.00001 0.00003 -0.00001 0.00000
|
|
182 8D+2 0.00000 0.00001 0.00002 0.00000 0.00000
|
|
183 8D-2 0.00007 0.00000 0.00001 0.00001 0.00000
|
|
184 9D 0 0.00046 0.00006 0.00004 0.00027 0.00000
|
|
185 9D+1 0.00003 0.00026 -0.00001 0.00005 0.00000
|
|
186 9D-1 0.00003 -0.00001 0.00036 0.00006 0.00000
|
|
187 9D+2 0.00001 0.00004 0.00016 0.00000 0.00000
|
|
188 9D-2 -0.00004 0.00010 0.00014 -0.00001 0.00000
|
|
16 17 18 19 20
|
|
16 9PY 0.00070
|
|
17 9PZ 0.00000 0.00058
|
|
18 10D 0 0.00000 0.00000 0.00052
|
|
19 10D+1 0.00000 0.00000 0.00000 0.00043
|
|
20 10D-1 0.00000 0.00000 0.00000 0.00000 0.00043
|
|
21 10D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
22 10D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
23 11D 0 0.00000 0.00000 0.00074 0.00000 0.00000
|
|
24 11D+1 0.00000 0.00000 0.00000 0.00052 0.00000
|
|
25 11D-1 0.00000 0.00000 0.00000 0.00000 0.00044
|
|
26 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
27 11D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
28 12D 0 0.00000 0.00000 0.00013 0.00000 0.00000
|
|
29 12D+1 0.00000 0.00000 0.00000 0.00007 0.00000
|
|
30 12D-1 0.00000 0.00000 0.00000 0.00000 0.00004
|
|
31 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
32 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
33 13F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
34 13F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
35 13F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
36 13F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
37 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
38 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
39 13F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
40 14F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
41 14F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
42 14F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
43 14F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
44 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
45 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
46 14F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
47 2 S 1S 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
48 2S -0.00025 0.00000 0.00000 0.00000 0.00000
|
|
49 3S 0.00284 0.00000 0.00010 0.00000 0.00000
|
|
50 4S 0.00022 0.00000 0.00000 0.00000 0.00000
|
|
51 5S 0.00136 0.00000 0.00000 0.00000 0.00000
|
|
52 6S -0.00068 0.00000 0.00000 0.00000 0.00000
|
|
53 7PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
54 7PY 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
55 7PZ 0.00000 0.00005 0.00000 0.00000 0.00000
|
|
56 8PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
57 8PY -0.00043 0.00000 0.00033 0.00000 0.00000
|
|
58 8PZ 0.00000 -0.00194 0.00000 0.00000 0.00050
|
|
59 9PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
60 9PY -0.00005 0.00000 0.00006 0.00000 0.00000
|
|
61 9PZ 0.00000 -0.00026 0.00000 0.00000 0.00004
|
|
62 10PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
63 10PY -0.00068 0.00000 0.00001 0.00000 0.00000
|
|
64 10PZ 0.00000 -0.00428 0.00000 0.00000 0.00039
|
|
65 11PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
66 11PY 0.00008 0.00000 0.00000 0.00000 0.00000
|
|
67 11PZ 0.00000 -0.00083 0.00000 0.00000 0.00001
|
|
68 12D 0 0.00000 0.00000 0.00002 0.00000 0.00000
|
|
69 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
70 12D-1 0.00000 0.00004 0.00000 0.00000 -0.00005
|
|
71 12D+2 -0.00009 0.00000 0.00001 0.00000 0.00000
|
|
72 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
73 13D 0 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
74 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
75 13D-1 0.00000 0.00001 0.00000 0.00000 -0.00001
|
|
76 13D+2 -0.00002 0.00000 0.00002 0.00000 0.00000
|
|
77 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
78 14D 0 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
79 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
80 14D-1 0.00000 -0.00008 0.00000 0.00000 0.00001
|
|
81 14D+2 -0.00004 0.00000 0.00000 0.00000 0.00000
|
|
82 14D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
83 15F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
84 15F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
85 15F-1 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
86 15F+2 0.00000 0.00000 0.00000 0.00000 -0.00001
|
|
87 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
88 15F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
89 15F-3 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
90 16F 0 0.00000 0.00000 0.00000 0.00000 0.00001
|
|
91 16F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
92 16F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
93 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
94 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
95 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
96 16F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
97 3 H 1S -0.00022 0.00000 0.00000 0.00000 0.00000
|
|
98 2S -0.00081 0.00000 0.00001 0.00000 0.00000
|
|
99 3S -0.00114 0.00000 0.00000 0.00000 0.00000
|
|
100 4S -0.00019 0.00000 0.00000 0.00000 0.00000
|
|
101 5PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
102 5PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
103 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
104 6PX 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
105 6PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
106 6PZ 0.00000 -0.00005 0.00000 0.00000 0.00000
|
|
107 7PX -0.00003 0.00000 0.00000 0.00000 0.00000
|
|
108 7PY 0.00003 0.00000 0.00000 0.00000 0.00000
|
|
109 7PZ 0.00000 -0.00011 0.00000 0.00000 0.00001
|
|
110 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
111 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
112 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
113 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
114 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
115 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
116 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
117 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
118 9D+2 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
119 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
120 4 H 1S 0.00007 0.00000 0.00040 0.00000 0.00000
|
|
121 2S 0.00017 0.00000 0.00034 0.00000 0.00000
|
|
122 3S 0.00020 0.00000 -0.00002 0.00000 0.00000
|
|
123 4S -0.00002 0.00000 0.00000 0.00000 0.00000
|
|
124 5PX 0.00000 0.00000 0.00004 0.00000 0.00000
|
|
125 5PY 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
126 5PZ 0.00000 0.00001 0.00000 -0.00002 0.00001
|
|
127 6PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
128 6PY 0.00012 0.00000 0.00000 0.00000 0.00000
|
|
129 6PZ 0.00000 0.00007 0.00000 -0.00008 0.00002
|
|
130 7PX 0.00000 0.00000 0.00002 0.00000 0.00000
|
|
131 7PY 0.00007 0.00000 0.00000 0.00000 0.00000
|
|
132 7PZ 0.00000 -0.00004 0.00000 0.00000 0.00000
|
|
133 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
134 8D+1 0.00000 0.00000 0.00000 -0.00002 0.00001
|
|
135 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
136 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
137 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
138 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
139 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
140 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
141 9D+2 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
142 9D-2 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
143 5 H 1S 0.00012 0.00043 0.00042 0.00064 0.00046
|
|
144 2S 0.00025 0.00138 0.00031 0.00053 0.00039
|
|
145 3S -0.00024 0.00042 -0.00001 0.00000 0.00001
|
|
146 4S -0.00002 -0.00002 0.00000 0.00000 0.00000
|
|
147 5PX 0.00000 0.00000 0.00001 0.00000 0.00002
|
|
148 5PY 0.00000 0.00000 0.00001 0.00002 -0.00001
|
|
149 5PZ 0.00000 -0.00001 0.00002 0.00005 0.00003
|
|
150 6PX 0.00000 0.00000 -0.00004 -0.00002 0.00001
|
|
151 6PY 0.00013 0.00000 -0.00003 0.00000 0.00000
|
|
152 6PZ 0.00000 0.00002 -0.00002 -0.00001 0.00000
|
|
153 7PX -0.00001 -0.00001 -0.00001 0.00001 0.00000
|
|
154 7PY 0.00015 -0.00001 -0.00001 0.00000 0.00001
|
|
155 7PZ -0.00002 0.00013 0.00002 0.00001 0.00000
|
|
156 8D 0 0.00000 0.00000 -0.00002 0.00000 0.00000
|
|
157 8D+1 0.00000 0.00000 0.00000 0.00000 0.00001
|
|
158 8D-1 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
159 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
160 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
161 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
162 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
163 9D-1 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
164 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
165 9D-2 0.00000 0.00000 -0.00001 0.00000 0.00000
|
|
166 6 H 1S 0.00012 0.00043 0.00042 0.00064 0.00046
|
|
167 2S 0.00025 0.00138 0.00031 0.00053 0.00039
|
|
168 3S -0.00024 0.00042 -0.00001 0.00000 0.00001
|
|
169 4S -0.00002 -0.00002 0.00000 0.00000 0.00000
|
|
170 5PX 0.00000 0.00000 0.00001 0.00000 0.00002
|
|
171 5PY 0.00000 0.00000 0.00001 0.00002 -0.00001
|
|
172 5PZ 0.00000 -0.00001 0.00002 0.00005 0.00003
|
|
173 6PX 0.00000 0.00000 -0.00004 -0.00002 0.00001
|
|
174 6PY 0.00013 0.00000 -0.00003 0.00000 0.00000
|
|
175 6PZ 0.00000 0.00002 -0.00002 -0.00001 0.00000
|
|
176 7PX -0.00001 -0.00001 -0.00001 0.00001 0.00000
|
|
177 7PY 0.00015 -0.00001 -0.00001 0.00000 0.00001
|
|
178 7PZ -0.00002 0.00013 0.00002 0.00001 0.00000
|
|
179 8D 0 0.00000 0.00000 -0.00002 0.00000 0.00000
|
|
180 8D+1 0.00000 0.00000 0.00000 0.00000 0.00001
|
|
181 8D-1 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
182 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
183 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
184 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
185 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
186 9D-1 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
187 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
188 9D-2 0.00000 0.00000 -0.00001 0.00000 0.00000
|
|
21 22 23 24 25
|
|
21 10D+2 0.00060
|
|
22 10D-2 0.00000 0.00022
|
|
23 11D 0 0.00000 0.00000 0.00392
|
|
24 11D+1 0.00000 0.00000 0.00000 0.00223
|
|
25 11D-1 0.00000 0.00000 0.00000 0.00000 0.00170
|
|
26 11D+2 0.00096 0.00000 0.00000 0.00000 0.00000
|
|
27 11D-2 0.00000 0.00017 0.00000 0.00000 0.00000
|
|
28 12D 0 0.00000 0.00000 0.00167 0.00000 0.00000
|
|
29 12D+1 0.00000 0.00000 0.00000 0.00078 0.00000
|
|
30 12D-1 0.00000 0.00000 0.00000 0.00000 0.00026
|
|
31 12D+2 0.00008 0.00000 0.00000 0.00000 0.00000
|
|
32 12D-2 0.00000 0.00002 0.00000 0.00000 0.00000
|
|
33 13F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
34 13F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
35 13F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
36 13F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
37 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
38 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
39 13F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
40 14F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
41 14F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
42 14F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
43 14F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
44 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
45 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
46 14F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
47 2 S 1S 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
48 2S 0.00000 0.00000 -0.00028 0.00000 0.00000
|
|
49 3S 0.00037 0.00000 0.00161 0.00000 0.00000
|
|
50 4S 0.00001 0.00000 0.00012 0.00000 0.00000
|
|
51 5S 0.00008 0.00000 -0.00006 0.00000 0.00000
|
|
52 6S -0.00001 0.00000 -0.00008 0.00000 0.00000
|
|
53 7PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
54 7PY -0.00001 0.00000 -0.00030 0.00000 0.00000
|
|
55 7PZ 0.00000 0.00000 0.00000 0.00000 -0.00021
|
|
56 8PX 0.00000 0.00022 0.00000 0.00000 0.00000
|
|
57 8PY 0.00087 0.00000 0.00319 0.00000 0.00000
|
|
58 8PZ 0.00000 0.00000 0.00000 0.00000 0.00708
|
|
59 9PX 0.00000 0.00002 0.00000 0.00000 0.00000
|
|
60 9PY 0.00016 0.00000 0.00116 0.00000 0.00000
|
|
61 9PZ 0.00000 0.00000 0.00000 0.00000 0.00132
|
|
62 10PX 0.00000 0.00014 0.00000 0.00000 0.00000
|
|
63 10PY 0.00003 0.00000 -0.00004 0.00000 0.00000
|
|
64 10PZ 0.00000 0.00000 0.00000 0.00000 0.00522
|
|
65 11PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
66 11PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
67 11PZ 0.00000 0.00000 0.00000 0.00000 0.00016
|
|
68 12D 0 0.00000 0.00000 0.00018 0.00000 0.00000
|
|
69 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
70 12D-1 0.00000 0.00000 0.00000 0.00000 -0.00021
|
|
71 12D+2 0.00010 0.00000 -0.00009 0.00000 0.00000
|
|
72 12D-2 0.00000 -0.00006 0.00000 0.00000 0.00000
|
|
73 13D 0 0.00001 0.00000 0.00010 0.00000 0.00000
|
|
74 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
75 13D-1 0.00000 0.00000 0.00000 0.00000 -0.00009
|
|
76 13D+2 0.00008 0.00000 0.00009 0.00000 0.00000
|
|
77 13D-2 0.00000 -0.00001 0.00000 0.00000 0.00000
|
|
78 14D 0 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
79 14D+1 0.00000 0.00000 0.00000 -0.00003 0.00000
|
|
80 14D-1 0.00000 0.00000 0.00000 0.00000 0.00009
|
|
81 14D+2 0.00000 0.00000 -0.00002 0.00000 0.00000
|
|
82 14D-2 0.00000 0.00001 0.00000 0.00000 0.00000
|
|
83 15F 0 0.00000 0.00000 0.00000 0.00000 0.00002
|
|
84 15F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
85 15F-1 0.00002 0.00000 0.00007 0.00000 0.00000
|
|
86 15F+2 0.00000 0.00000 0.00000 0.00000 -0.00004
|
|
87 15F-2 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
88 15F+3 0.00000 -0.00003 0.00000 0.00000 0.00000
|
|
89 15F-3 0.00002 0.00000 -0.00003 0.00000 0.00000
|
|
90 16F 0 0.00000 0.00000 0.00000 0.00000 0.00003
|
|
91 16F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
92 16F-1 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
93 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
94 16F-2 0.00000 0.00000 0.00000 0.00002 0.00000
|
|
95 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
96 16F-3 0.00000 0.00000 0.00002 0.00000 0.00000
|
|
97 3 H 1S 0.00000 0.00000 0.00002 0.00000 0.00000
|
|
98 2S -0.00001 0.00003 0.00015 0.00000 0.00000
|
|
99 3S -0.00001 0.00002 -0.00008 0.00000 0.00000
|
|
100 4S 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
101 5PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
102 5PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
103 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
104 6PX 0.00000 0.00000 0.00002 0.00000 0.00000
|
|
105 6PY 0.00000 0.00000 0.00005 0.00000 0.00000
|
|
106 6PZ 0.00000 0.00000 0.00000 -0.00001 0.00006
|
|
107 7PX 0.00000 0.00000 -0.00002 0.00000 0.00000
|
|
108 7PY 0.00000 0.00000 -0.00005 0.00000 0.00000
|
|
109 7PZ 0.00000 0.00000 0.00000 -0.00002 0.00008
|
|
110 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
111 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
112 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
113 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
114 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
115 9D 0 0.00000 0.00000 -0.00001 0.00000 0.00000
|
|
116 9D+1 0.00000 0.00000 0.00000 0.00000 0.00002
|
|
117 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
118 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
119 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
120 4 H 1S 0.00089 0.00033 0.00172 0.00000 0.00000
|
|
121 2S 0.00064 0.00026 0.00210 0.00000 0.00000
|
|
122 3S 0.00000 -0.00001 -0.00030 0.00000 0.00000
|
|
123 4S 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
124 5PX 0.00009 0.00004 0.00001 0.00000 0.00000
|
|
125 5PY 0.00000 -0.00001 0.00000 0.00000 0.00000
|
|
126 5PZ 0.00000 0.00000 0.00000 -0.00010 0.00002
|
|
127 6PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
128 6PY -0.00007 -0.00001 -0.00003 0.00000 0.00000
|
|
129 6PZ 0.00000 0.00000 0.00000 -0.00047 0.00007
|
|
130 7PX 0.00002 0.00000 0.00020 0.00000 0.00000
|
|
131 7PY -0.00001 0.00001 0.00001 0.00000 0.00000
|
|
132 7PZ 0.00000 0.00000 0.00000 0.00000 -0.00001
|
|
133 8D 0 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
134 8D+1 0.00000 0.00000 0.00000 -0.00002 0.00001
|
|
135 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
136 8D+2 0.00000 0.00001 0.00000 0.00000 0.00000
|
|
137 8D-2 0.00000 -0.00001 -0.00001 0.00000 0.00000
|
|
138 9D 0 0.00001 0.00000 -0.00001 0.00000 0.00000
|
|
139 9D+1 0.00000 0.00000 0.00000 0.00000 0.00001
|
|
140 9D-1 0.00000 0.00000 0.00000 0.00000 0.00001
|
|
141 9D+2 0.00000 0.00000 0.00005 0.00000 0.00000
|
|
142 9D-2 -0.00001 0.00000 -0.00001 0.00000 0.00000
|
|
143 5 H 1S 0.00001 0.00011 0.00205 0.00286 0.00146
|
|
144 2S 0.00000 0.00010 0.00200 0.00324 0.00173
|
|
145 3S 0.00000 0.00000 -0.00019 -0.00005 0.00020
|
|
146 4S 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
147 5PX -0.00001 0.00000 0.00002 -0.00007 0.00003
|
|
148 5PY -0.00001 0.00000 0.00001 0.00004 -0.00003
|
|
149 5PZ 0.00000 0.00002 -0.00011 0.00004 0.00002
|
|
150 6PX -0.00002 0.00001 -0.00017 -0.00015 0.00003
|
|
151 6PY -0.00005 0.00000 -0.00026 0.00001 0.00001
|
|
152 6PZ 0.00000 0.00001 -0.00014 0.00000 0.00000
|
|
153 7PX 0.00000 0.00000 -0.00013 0.00012 0.00000
|
|
154 7PY 0.00000 0.00000 -0.00006 -0.00001 0.00004
|
|
155 7PZ 0.00000 0.00000 0.00027 0.00007 0.00000
|
|
156 8D 0 0.00000 0.00001 -0.00003 0.00000 0.00000
|
|
157 8D+1 -0.00001 0.00000 0.00000 -0.00001 0.00000
|
|
158 8D-1 -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
159 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
160 8D-2 0.00000 0.00000 -0.00001 -0.00001 0.00000
|
|
161 9D 0 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
162 9D+1 0.00000 0.00000 0.00001 -0.00001 0.00000
|
|
163 9D-1 -0.00001 0.00000 0.00001 0.00000 -0.00001
|
|
164 9D+2 0.00001 0.00000 0.00000 -0.00001 0.00001
|
|
165 9D-2 0.00000 0.00000 -0.00003 0.00001 0.00001
|
|
166 6 H 1S 0.00001 0.00011 0.00205 0.00286 0.00146
|
|
167 2S 0.00000 0.00010 0.00200 0.00324 0.00173
|
|
168 3S 0.00000 0.00000 -0.00019 -0.00005 0.00020
|
|
169 4S 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
170 5PX -0.00001 0.00000 0.00002 -0.00007 0.00003
|
|
171 5PY -0.00001 0.00000 0.00001 0.00004 -0.00003
|
|
172 5PZ 0.00000 0.00002 -0.00011 0.00004 0.00002
|
|
173 6PX -0.00002 0.00001 -0.00017 -0.00015 0.00003
|
|
174 6PY -0.00005 0.00000 -0.00026 0.00001 0.00001
|
|
175 6PZ 0.00000 0.00001 -0.00014 0.00000 0.00000
|
|
176 7PX 0.00000 0.00000 -0.00013 0.00012 0.00000
|
|
177 7PY 0.00000 0.00000 -0.00006 -0.00001 0.00004
|
|
178 7PZ 0.00000 0.00000 0.00027 0.00007 0.00000
|
|
179 8D 0 0.00000 0.00001 -0.00003 0.00000 0.00000
|
|
180 8D+1 -0.00001 0.00000 0.00000 -0.00001 0.00000
|
|
181 8D-1 -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
182 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
183 8D-2 0.00000 0.00000 -0.00001 -0.00001 0.00000
|
|
184 9D 0 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
185 9D+1 0.00000 0.00000 0.00001 -0.00001 0.00000
|
|
186 9D-1 -0.00001 0.00000 0.00001 0.00000 -0.00001
|
|
187 9D+2 0.00001 0.00000 0.00000 -0.00001 0.00001
|
|
188 9D-2 0.00000 0.00000 -0.00003 0.00001 0.00001
|
|
26 27 28 29 30
|
|
26 11D+2 0.00558
|
|
27 11D-2 0.00000 0.00062
|
|
28 12D 0 0.00000 0.00000 0.00229
|
|
29 12D+1 0.00000 0.00000 0.00000 0.00089
|
|
30 12D-1 0.00000 0.00000 0.00000 0.00000 0.00074
|
|
31 12D+2 0.00094 0.00000 0.00000 0.00000 0.00000
|
|
32 12D-2 0.00000 0.00007 0.00000 0.00000 0.00000
|
|
33 13F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
34 13F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
35 13F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
36 13F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
37 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
38 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
39 13F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
40 14F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
41 14F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
42 14F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
43 14F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
44 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
45 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
46 14F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
47 2 S 1S 0.00004 0.00000 0.00000 0.00000 0.00000
|
|
48 2S -0.00107 0.00000 -0.00001 0.00000 0.00000
|
|
49 3S 0.00599 0.00000 0.00047 0.00000 0.00000
|
|
50 4S 0.00052 0.00000 0.00003 0.00000 0.00000
|
|
51 5S 0.00121 0.00000 -0.00067 0.00000 0.00000
|
|
52 6S -0.00011 0.00000 -0.00017 0.00000 0.00000
|
|
53 7PX 0.00000 -0.00007 0.00000 0.00000 0.00000
|
|
54 7PY -0.00077 0.00000 -0.00002 0.00000 0.00000
|
|
55 7PZ 0.00000 0.00000 0.00000 0.00000 0.00002
|
|
56 8PX 0.00000 0.00333 0.00000 0.00000 0.00000
|
|
57 8PY 0.00753 0.00000 -0.00033 0.00000 0.00000
|
|
58 8PZ 0.00000 0.00000 0.00000 0.00000 -0.00228
|
|
59 9PX 0.00000 0.00064 0.00000 0.00000 0.00000
|
|
60 9PY 0.00270 0.00000 0.00005 0.00000 0.00000
|
|
61 9PZ 0.00000 0.00000 0.00000 0.00000 -0.00042
|
|
62 10PX 0.00000 0.00183 0.00000 0.00000 0.00000
|
|
63 10PY -0.00008 0.00000 -0.00084 0.00000 0.00000
|
|
64 10PZ 0.00000 0.00000 0.00000 0.00000 -0.00149
|
|
65 11PX 0.00000 0.00001 0.00000 0.00000 0.00000
|
|
66 11PY 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
67 11PZ 0.00000 0.00000 0.00000 0.00000 -0.00001
|
|
68 12D 0 -0.00003 0.00000 0.00012 0.00000 0.00000
|
|
69 12D+1 0.00000 0.00000 0.00000 0.00002 0.00000
|
|
70 12D-1 0.00000 0.00000 0.00000 0.00000 -0.00013
|
|
71 12D+2 0.00037 0.00000 -0.00025 0.00000 0.00000
|
|
72 12D-2 0.00000 -0.00022 0.00000 0.00000 0.00000
|
|
73 13D 0 0.00006 0.00000 0.00003 0.00000 0.00000
|
|
74 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
75 13D-1 0.00000 0.00000 0.00000 0.00000 -0.00004
|
|
76 13D+2 0.00048 0.00000 -0.00006 0.00000 0.00000
|
|
77 13D-2 0.00000 -0.00010 0.00000 0.00000 0.00000
|
|
78 14D 0 -0.00001 0.00000 0.00001 0.00000 0.00000
|
|
79 14D+1 0.00000 0.00000 0.00000 -0.00002 0.00000
|
|
80 14D-1 0.00000 0.00000 0.00000 0.00000 0.00001
|
|
81 14D+2 0.00000 0.00000 -0.00005 0.00000 0.00000
|
|
82 14D-2 0.00000 0.00007 0.00000 0.00000 0.00000
|
|
83 15F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
84 15F+1 0.00000 0.00002 0.00000 0.00000 0.00000
|
|
85 15F-1 -0.00001 0.00000 0.00003 0.00000 0.00000
|
|
86 15F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
87 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
88 15F+3 0.00000 -0.00010 0.00000 0.00000 0.00000
|
|
89 15F-3 0.00006 0.00000 -0.00001 0.00000 0.00000
|
|
90 16F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
91 16F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
92 16F-1 -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
93 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
94 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
95 16F+3 0.00000 -0.00001 0.00000 0.00000 0.00000
|
|
96 16F-3 -0.00002 0.00000 0.00000 0.00000 0.00000
|
|
97 3 H 1S -0.00003 0.00014 -0.00013 0.00000 0.00000
|
|
98 2S -0.00016 0.00085 -0.00025 0.00000 0.00000
|
|
99 3S -0.00026 0.00028 -0.00026 0.00000 0.00000
|
|
100 4S -0.00001 0.00000 -0.00002 0.00000 0.00000
|
|
101 5PX 0.00000 0.00001 0.00000 0.00000 0.00000
|
|
102 5PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
103 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
104 6PX 0.00005 0.00001 0.00000 0.00000 0.00000
|
|
105 6PY 0.00002 0.00002 0.00003 0.00000 0.00000
|
|
106 6PZ 0.00000 0.00000 0.00000 0.00001 -0.00003
|
|
107 7PX -0.00009 0.00000 0.00000 0.00000 0.00000
|
|
108 7PY 0.00003 -0.00003 -0.00001 0.00000 0.00000
|
|
109 7PZ 0.00000 0.00000 0.00000 -0.00001 -0.00001
|
|
110 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
111 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
112 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
113 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
114 8D-2 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
115 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
116 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
117 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
118 9D+2 0.00003 0.00002 0.00000 0.00000 0.00000
|
|
119 9D-2 0.00002 -0.00001 0.00000 0.00000 0.00000
|
|
120 4 H 1S 0.00454 0.00065 0.00072 0.00000 0.00000
|
|
121 2S 0.00441 0.00073 0.00153 0.00000 0.00000
|
|
122 3S 0.00006 -0.00001 -0.00047 0.00000 0.00000
|
|
123 4S 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
124 5PX -0.00002 0.00002 -0.00002 0.00000 0.00000
|
|
125 5PY 0.00000 -0.00003 -0.00001 0.00000 0.00000
|
|
126 5PZ 0.00000 0.00000 0.00000 -0.00003 0.00001
|
|
127 6PX -0.00001 0.00000 0.00001 0.00000 0.00000
|
|
128 6PY -0.00044 -0.00009 -0.00003 0.00000 0.00000
|
|
129 6PZ 0.00000 0.00000 0.00000 -0.00021 0.00005
|
|
130 7PX 0.00026 0.00001 0.00039 0.00000 0.00000
|
|
131 7PY -0.00006 0.00003 0.00002 0.00000 0.00000
|
|
132 7PZ 0.00000 0.00000 0.00000 -0.00003 0.00001
|
|
133 8D 0 -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
134 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
135 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
136 8D+2 -0.00002 0.00000 0.00000 0.00000 0.00000
|
|
137 8D-2 -0.00001 -0.00001 0.00000 0.00000 0.00000
|
|
138 9D 0 0.00004 0.00000 -0.00001 0.00000 0.00000
|
|
139 9D+1 0.00000 0.00000 0.00000 0.00002 0.00001
|
|
140 9D-1 0.00000 0.00000 0.00000 0.00000 -0.00001
|
|
141 9D+2 0.00000 0.00000 0.00002 0.00000 0.00000
|
|
142 9D-2 -0.00003 0.00000 0.00000 0.00000 0.00000
|
|
143 5 H 1S 0.00004 0.00030 0.00070 0.00076 0.00056
|
|
144 2S -0.00002 0.00034 0.00129 0.00155 0.00113
|
|
145 3S -0.00001 0.00001 -0.00027 -0.00020 -0.00019
|
|
146 4S 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
147 5PX -0.00004 0.00000 0.00000 -0.00003 0.00000
|
|
148 5PY -0.00004 0.00000 0.00000 0.00000 -0.00002
|
|
149 5PZ 0.00000 0.00002 -0.00006 -0.00001 -0.00001
|
|
150 6PX -0.00014 0.00003 -0.00008 -0.00008 0.00001
|
|
151 6PY -0.00043 0.00003 -0.00009 0.00000 -0.00003
|
|
152 6PZ -0.00001 0.00002 -0.00012 0.00002 0.00001
|
|
153 7PX 0.00008 0.00002 -0.00018 0.00018 -0.00001
|
|
154 7PY -0.00001 0.00002 -0.00008 -0.00001 0.00014
|
|
155 7PZ 0.00000 0.00000 0.00042 0.00014 0.00011
|
|
156 8D 0 0.00000 0.00001 0.00000 0.00000 0.00000
|
|
157 8D+1 -0.00002 0.00000 0.00000 0.00000 0.00000
|
|
158 8D-1 -0.00002 0.00000 0.00000 0.00000 0.00000
|
|
159 8D+2 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
160 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
161 9D 0 0.00000 0.00000 0.00002 0.00000 0.00000
|
|
162 9D+1 -0.00001 0.00001 0.00001 -0.00001 0.00000
|
|
163 9D-1 -0.00005 0.00001 0.00001 0.00000 -0.00002
|
|
164 9D+2 0.00010 0.00000 0.00000 0.00000 0.00000
|
|
165 9D-2 0.00000 -0.00001 -0.00001 0.00000 0.00000
|
|
166 6 H 1S 0.00004 0.00030 0.00070 0.00076 0.00056
|
|
167 2S -0.00002 0.00034 0.00129 0.00155 0.00113
|
|
168 3S -0.00001 0.00001 -0.00027 -0.00020 -0.00019
|
|
169 4S 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
170 5PX -0.00004 0.00000 0.00000 -0.00003 0.00000
|
|
171 5PY -0.00004 0.00000 0.00000 0.00000 -0.00002
|
|
172 5PZ 0.00000 0.00002 -0.00006 -0.00001 -0.00001
|
|
173 6PX -0.00014 0.00003 -0.00008 -0.00008 0.00001
|
|
174 6PY -0.00043 0.00003 -0.00009 0.00000 -0.00003
|
|
175 6PZ -0.00001 0.00002 -0.00012 0.00002 0.00001
|
|
176 7PX 0.00008 0.00002 -0.00018 0.00018 -0.00001
|
|
177 7PY -0.00001 0.00002 -0.00008 -0.00001 0.00014
|
|
178 7PZ 0.00000 0.00000 0.00042 0.00014 0.00011
|
|
179 8D 0 0.00000 0.00001 0.00000 0.00000 0.00000
|
|
180 8D+1 -0.00002 0.00000 0.00000 0.00000 0.00000
|
|
181 8D-1 -0.00002 0.00000 0.00000 0.00000 0.00000
|
|
182 8D+2 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
183 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
184 9D 0 0.00000 0.00000 0.00002 0.00000 0.00000
|
|
185 9D+1 -0.00001 0.00001 0.00001 -0.00001 0.00000
|
|
186 9D-1 -0.00005 0.00001 0.00001 0.00000 -0.00002
|
|
187 9D+2 0.00010 0.00000 0.00000 0.00000 0.00000
|
|
188 9D-2 0.00000 -0.00001 -0.00001 0.00000 0.00000
|
|
31 32 33 34 35
|
|
31 12D+2 0.00081
|
|
32 12D-2 0.00000 0.00057
|
|
33 13F 0 0.00000 0.00000 0.00001
|
|
34 13F+1 0.00000 0.00000 0.00000 0.00005
|
|
35 13F-1 0.00000 0.00000 0.00000 0.00000 0.00005
|
|
36 13F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
37 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
38 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
39 13F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
40 14F 0 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
41 14F+1 0.00000 0.00000 0.00000 0.00003 0.00000
|
|
42 14F-1 0.00000 0.00000 0.00000 0.00000 0.00001
|
|
43 14F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
44 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
45 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
46 14F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
47 2 S 1S 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
48 2S -0.00032 0.00000 0.00000 0.00000 -0.00001
|
|
49 3S 0.00150 0.00000 0.00000 0.00000 0.00010
|
|
50 4S 0.00015 0.00000 0.00000 0.00000 0.00001
|
|
51 5S 0.00059 0.00000 0.00000 0.00000 0.00001
|
|
52 6S -0.00004 0.00000 0.00000 0.00000 0.00000
|
|
53 7PX 0.00000 0.00006 0.00000 0.00000 0.00000
|
|
54 7PY 0.00000 0.00000 0.00000 0.00000 -0.00002
|
|
55 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
56 8PX 0.00000 -0.00232 0.00000 0.00002 0.00000
|
|
57 8PY -0.00015 0.00000 0.00000 0.00000 0.00018
|
|
58 8PZ 0.00000 0.00000 0.00015 0.00000 0.00000
|
|
59 9PX 0.00000 -0.00041 0.00000 0.00000 0.00000
|
|
60 9PY 0.00002 0.00000 0.00000 0.00000 0.00009
|
|
61 9PZ 0.00000 0.00000 0.00003 0.00000 0.00000
|
|
62 10PX 0.00000 -0.00125 0.00000 0.00000 0.00000
|
|
63 10PY -0.00029 0.00000 0.00000 0.00000 -0.00001
|
|
64 10PZ 0.00000 0.00000 0.00004 0.00000 0.00000
|
|
65 11PX 0.00000 0.00004 0.00000 0.00000 0.00000
|
|
66 11PY 0.00002 0.00000 0.00000 0.00000 0.00000
|
|
67 11PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
68 12D 0 0.00002 0.00000 0.00000 0.00000 0.00001
|
|
69 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
70 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
71 12D+2 0.00000 0.00000 0.00000 0.00000 -0.00001
|
|
72 12D-2 0.00000 -0.00006 0.00000 0.00000 0.00000
|
|
73 13D 0 0.00000 0.00000 0.00000 0.00000 0.00001
|
|
74 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
75 13D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
76 13D+2 0.00000 0.00000 0.00000 0.00000 0.00003
|
|
77 13D-2 0.00000 -0.00002 0.00000 0.00000 0.00000
|
|
78 14D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
79 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
80 14D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
81 14D+2 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
82 14D-2 0.00000 0.00002 0.00000 0.00000 0.00000
|
|
83 15F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
84 15F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
85 15F-1 0.00000 0.00000 0.00000 0.00000 0.00001
|
|
86 15F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
87 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
88 15F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
89 15F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
90 16F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
91 16F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
92 16F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
93 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
94 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
95 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
96 16F-3 -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
97 3 H 1S -0.00007 -0.00021 0.00000 0.00000 0.00000
|
|
98 2S -0.00026 -0.00067 0.00000 0.00000 0.00000
|
|
99 3S -0.00022 -0.00042 0.00000 0.00000 0.00000
|
|
100 4S -0.00001 -0.00002 0.00000 0.00000 0.00000
|
|
101 5PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
102 5PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
103 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
104 6PX 0.00002 0.00000 0.00000 0.00000 0.00000
|
|
105 6PY -0.00001 0.00001 0.00000 0.00000 0.00000
|
|
106 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
107 7PX -0.00002 0.00000 0.00000 0.00000 0.00000
|
|
108 7PY -0.00003 -0.00004 0.00000 0.00000 0.00000
|
|
109 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
110 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
111 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
112 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
113 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
114 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
115 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
116 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
117 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
118 9D+2 0.00001 -0.00001 0.00000 0.00000 0.00000
|
|
119 9D-2 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
120 4 H 1S 0.00116 0.00030 0.00000 0.00023 0.00000
|
|
121 2S 0.00222 0.00065 0.00000 0.00008 0.00000
|
|
122 3S -0.00019 -0.00024 0.00000 0.00000 0.00000
|
|
123 4S -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
124 5PX -0.00006 0.00000 0.00000 0.00001 0.00000
|
|
125 5PY 0.00001 -0.00002 0.00000 0.00000 0.00000
|
|
126 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
127 6PX -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
128 6PY -0.00004 -0.00013 0.00000 0.00000 0.00001
|
|
129 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
130 7PX 0.00046 0.00008 0.00000 0.00000 0.00000
|
|
131 7PY -0.00006 0.00006 0.00000 0.00000 0.00000
|
|
132 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
133 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
134 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
135 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
136 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
137 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
138 9D 0 0.00001 0.00000 0.00000 -0.00001 0.00000
|
|
139 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
140 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
141 9D+2 -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
142 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
143 5 H 1S -0.00001 0.00016 0.00000 0.00020 0.00011
|
|
144 2S -0.00003 0.00028 0.00000 0.00007 0.00005
|
|
145 3S 0.00000 -0.00009 0.00000 0.00000 0.00000
|
|
146 4S 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
147 5PX -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
148 5PY -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
149 5PZ 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
150 6PX -0.00007 0.00003 0.00000 0.00000 0.00000
|
|
151 6PY -0.00005 0.00005 0.00000 0.00000 -0.00001
|
|
152 6PZ 0.00000 0.00001 0.00000 0.00000 0.00000
|
|
153 7PX -0.00003 0.00008 0.00000 0.00000 0.00000
|
|
154 7PY 0.00003 0.00007 0.00000 0.00000 0.00000
|
|
155 7PZ 0.00000 -0.00001 0.00000 0.00000 0.00000
|
|
156 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
157 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
158 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
159 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
160 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
161 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
162 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
163 9D-1 -0.00001 0.00001 0.00000 0.00000 0.00000
|
|
164 9D+2 0.00003 0.00000 0.00000 0.00000 0.00000
|
|
165 9D-2 0.00000 -0.00003 0.00000 0.00000 0.00000
|
|
166 6 H 1S -0.00001 0.00016 0.00000 0.00020 0.00011
|
|
167 2S -0.00003 0.00028 0.00000 0.00007 0.00005
|
|
168 3S 0.00000 -0.00009 0.00000 0.00000 0.00000
|
|
169 4S 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
170 5PX -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
171 5PY -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
172 5PZ 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
173 6PX -0.00007 0.00003 0.00000 0.00000 0.00000
|
|
174 6PY -0.00005 0.00005 0.00000 0.00000 -0.00001
|
|
175 6PZ 0.00000 0.00001 0.00000 0.00000 0.00000
|
|
176 7PX -0.00003 0.00008 0.00000 0.00000 0.00000
|
|
177 7PY 0.00003 0.00007 0.00000 0.00000 0.00000
|
|
178 7PZ 0.00000 -0.00001 0.00000 0.00000 0.00000
|
|
179 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
180 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
181 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
182 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
183 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
184 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
185 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
186 9D-1 -0.00001 0.00001 0.00000 0.00000 0.00000
|
|
187 9D+2 0.00003 0.00000 0.00000 0.00000 0.00000
|
|
188 9D-2 0.00000 -0.00003 0.00000 0.00000 0.00000
|
|
36 37 38 39 40
|
|
36 13F+2 0.00001
|
|
37 13F-2 0.00000 0.00000
|
|
38 13F+3 0.00000 0.00000 0.00002
|
|
39 13F-3 0.00000 0.00000 0.00000 0.00008
|
|
40 14F 0 0.00000 0.00000 0.00000 0.00000 0.00001
|
|
41 14F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
42 14F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
43 14F+2 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
44 14F-2 0.00000 0.00001 0.00000 0.00000 0.00000
|
|
45 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
46 14F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
47 2 S 1S 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
48 2S 0.00000 0.00000 0.00000 -0.00001 0.00000
|
|
49 3S 0.00000 0.00000 0.00000 0.00014 0.00000
|
|
50 4S 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
51 5S 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
52 6S 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
53 7PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
54 7PY 0.00000 0.00000 0.00000 -0.00003 0.00000
|
|
55 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
56 8PX 0.00000 0.00000 0.00023 0.00000 0.00000
|
|
57 8PY 0.00000 0.00000 0.00000 0.00031 0.00000
|
|
58 8PZ 0.00024 0.00000 0.00000 0.00000 0.00057
|
|
59 9PX 0.00000 0.00000 0.00004 0.00000 0.00000
|
|
60 9PY 0.00000 0.00000 0.00000 0.00016 0.00000
|
|
61 9PZ 0.00005 0.00000 0.00000 0.00000 0.00016
|
|
62 10PX 0.00000 0.00000 0.00004 0.00000 0.00000
|
|
63 10PY 0.00000 0.00000 0.00000 -0.00001 0.00000
|
|
64 10PZ 0.00007 0.00000 0.00000 0.00000 0.00020
|
|
65 11PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
66 11PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
67 11PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
68 12D 0 0.00000 0.00000 0.00000 -0.00001 0.00000
|
|
69 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
70 12D-1 0.00000 0.00000 0.00000 0.00000 0.00001
|
|
71 12D+2 0.00000 0.00000 0.00000 0.00003 0.00000
|
|
72 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
73 13D 0 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
74 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
75 13D-1 0.00000 0.00000 0.00000 0.00000 0.00001
|
|
76 13D+2 0.00000 0.00000 0.00000 0.00006 0.00000
|
|
77 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
78 14D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
79 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
80 14D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
81 14D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
82 14D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
83 15F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
84 15F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
85 15F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
86 15F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
87 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
88 15F+3 0.00000 0.00000 -0.00001 0.00000 0.00000
|
|
89 15F-3 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
90 16F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
91 16F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
92 16F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
93 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
94 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
95 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
96 16F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
97 3 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
98 2S 0.00000 0.00000 0.00003 0.00000 0.00000
|
|
99 3S 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
100 4S 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
101 5PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
102 5PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
103 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
104 6PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
105 6PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
106 6PZ 0.00000 0.00000 0.00000 0.00000 0.00001
|
|
107 7PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
108 7PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
109 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
110 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
111 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
112 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
113 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
114 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
115 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
116 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
117 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
118 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
119 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
120 4 H 1S 0.00000 0.00000 0.00005 0.00011 0.00000
|
|
121 2S 0.00000 0.00000 0.00002 0.00005 0.00000
|
|
122 3S 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
123 4S 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
124 5PX 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
125 5PY 0.00000 0.00000 0.00000 -0.00001 0.00000
|
|
126 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
127 6PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
128 6PY 0.00000 0.00000 0.00000 -0.00003 0.00000
|
|
129 6PZ 0.00000 0.00000 0.00000 0.00000 0.00001
|
|
130 7PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
131 7PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
132 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
133 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
134 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
135 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
136 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
137 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
138 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
139 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
140 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
141 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
142 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
143 5 H 1S 0.00000 0.00008 0.00001 0.00001 -0.00002
|
|
144 2S 0.00000 0.00003 0.00000 0.00001 -0.00001
|
|
145 3S 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
146 4S 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
147 5PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
148 5PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
149 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
150 6PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
151 6PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
152 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
153 7PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
154 7PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
155 7PZ 0.00000 0.00000 0.00000 0.00000 -0.00001
|
|
156 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
157 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
158 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
159 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
160 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
161 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
162 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
163 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
164 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
165 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
166 6 H 1S 0.00000 0.00008 0.00001 0.00001 -0.00002
|
|
167 2S 0.00000 0.00003 0.00000 0.00001 -0.00001
|
|
168 3S 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
169 4S 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
170 5PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
171 5PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
172 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
173 6PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
174 6PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
175 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
176 7PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
177 7PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
178 7PZ 0.00000 0.00000 0.00000 0.00000 -0.00001
|
|
179 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
180 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
181 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
182 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
183 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
184 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
185 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
186 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
187 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
188 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
41 42 43 44 45
|
|
41 14F+1 0.00041
|
|
42 14F-1 0.00000 0.00002
|
|
43 14F+2 0.00000 0.00000 0.00003
|
|
44 14F-2 0.00000 0.00000 0.00000 0.00003
|
|
45 14F+3 0.00000 0.00000 0.00000 0.00000 0.00003
|
|
46 14F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
47 2 S 1S 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
48 2S 0.00000 0.00006 0.00000 0.00000 0.00000
|
|
49 3S 0.00000 -0.00017 0.00000 0.00000 0.00000
|
|
50 4S 0.00000 -0.00002 0.00000 0.00000 0.00000
|
|
51 5S 0.00000 -0.00005 0.00000 0.00000 0.00000
|
|
52 6S 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
53 7PX 0.00001 0.00000 0.00000 0.00000 0.00011
|
|
54 7PY 0.00000 0.00001 0.00000 0.00000 0.00000
|
|
55 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
56 8PX -0.00007 0.00000 0.00000 0.00000 0.00027
|
|
57 8PY 0.00000 0.00005 0.00000 0.00000 0.00000
|
|
58 8PZ 0.00000 0.00000 0.00115 0.00000 0.00000
|
|
59 9PX -0.00001 0.00000 0.00000 0.00000 0.00011
|
|
60 9PY 0.00000 0.00006 0.00000 0.00000 0.00000
|
|
61 9PZ 0.00000 0.00000 0.00033 0.00000 0.00000
|
|
62 10PX 0.00001 0.00000 0.00000 0.00000 0.00010
|
|
63 10PY 0.00000 -0.00002 0.00000 0.00000 0.00000
|
|
64 10PZ 0.00000 0.00000 0.00045 0.00000 0.00000
|
|
65 11PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
66 11PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
67 11PZ 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
68 12D 0 0.00000 -0.00001 0.00000 0.00000 0.00000
|
|
69 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
70 12D-1 0.00000 0.00000 -0.00001 0.00000 0.00000
|
|
71 12D+2 0.00000 -0.00004 0.00000 0.00000 0.00000
|
|
72 12D-2 0.00002 0.00000 0.00000 0.00000 -0.00003
|
|
73 13D 0 0.00000 -0.00001 0.00000 0.00000 0.00000
|
|
74 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
75 13D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
76 13D+2 0.00000 -0.00001 0.00000 0.00000 0.00000
|
|
77 13D-2 0.00001 0.00000 0.00000 0.00000 -0.00002
|
|
78 14D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
79 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
80 14D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
81 14D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
82 14D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
83 15F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
84 15F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
85 15F-1 0.00000 0.00001 0.00000 0.00000 0.00000
|
|
86 15F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
87 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
88 15F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
89 15F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
90 16F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
91 16F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
92 16F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
93 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
94 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
95 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
96 16F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
97 3 H 1S -0.00002 -0.00004 0.00000 0.00000 0.00001
|
|
98 2S -0.00006 -0.00012 0.00000 0.00000 0.00004
|
|
99 3S -0.00005 -0.00002 0.00000 0.00000 0.00003
|
|
100 4S 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
101 5PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
102 5PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
103 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
104 6PX 0.00000 0.00000 0.00000 0.00000 -0.00001
|
|
105 6PY 0.00002 0.00000 0.00000 0.00000 0.00000
|
|
106 6PZ 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
107 7PX 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
108 7PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
109 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
110 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
111 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
112 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
113 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
114 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
115 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
116 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
117 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
118 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
119 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
120 4 H 1S 0.00051 0.00003 0.00000 0.00000 0.00017
|
|
121 2S 0.00033 0.00003 0.00000 0.00000 0.00012
|
|
122 3S 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
123 4S 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
124 5PX -0.00002 0.00000 0.00000 0.00000 -0.00001
|
|
125 5PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
126 5PZ 0.00000 0.00000 0.00000 -0.00001 0.00000
|
|
127 6PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
128 6PY 0.00001 0.00000 0.00000 0.00000 -0.00003
|
|
129 6PZ 0.00000 0.00000 0.00001 -0.00002 0.00000
|
|
130 7PX 0.00001 0.00000 0.00000 0.00000 0.00001
|
|
131 7PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
132 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
133 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
134 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
135 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
136 8D+2 -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
137 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
138 9D 0 -0.00002 0.00000 0.00000 0.00000 0.00000
|
|
139 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
140 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
141 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
142 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
143 5 H 1S 0.00021 0.00006 0.00002 0.00019 0.00000
|
|
144 2S 0.00005 0.00006 0.00001 0.00016 0.00000
|
|
145 3S -0.00002 0.00000 0.00000 0.00000 0.00000
|
|
146 4S 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
147 5PX -0.00001 0.00000 0.00000 -0.00001 0.00000
|
|
148 5PY -0.00001 0.00000 0.00000 -0.00001 0.00000
|
|
149 5PZ -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
150 6PX -0.00001 0.00000 -0.00001 -0.00001 0.00000
|
|
151 6PY -0.00006 -0.00001 0.00000 0.00000 0.00002
|
|
152 6PZ 0.00001 -0.00001 0.00000 0.00000 0.00000
|
|
153 7PX 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
154 7PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
155 7PZ 0.00002 0.00000 0.00000 0.00000 0.00000
|
|
156 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
157 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
158 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
159 8D+2 -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
160 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
161 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
162 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
163 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
164 9D+2 -0.00002 0.00000 0.00000 0.00000 0.00000
|
|
165 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
166 6 H 1S 0.00021 0.00006 0.00002 0.00019 0.00000
|
|
167 2S 0.00005 0.00006 0.00001 0.00016 0.00000
|
|
168 3S -0.00002 0.00000 0.00000 0.00000 0.00000
|
|
169 4S 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
170 5PX -0.00001 0.00000 0.00000 -0.00001 0.00000
|
|
171 5PY -0.00001 0.00000 0.00000 -0.00001 0.00000
|
|
172 5PZ -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
173 6PX -0.00001 0.00000 -0.00001 -0.00001 0.00000
|
|
174 6PY -0.00006 -0.00001 0.00000 0.00000 0.00002
|
|
175 6PZ 0.00001 -0.00001 0.00000 0.00000 0.00000
|
|
176 7PX 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
177 7PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
178 7PZ 0.00002 0.00000 0.00000 0.00000 0.00000
|
|
179 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
180 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
181 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
182 8D+2 -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
183 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
184 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
185 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
186 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
187 9D+2 -0.00002 0.00000 0.00000 0.00000 0.00000
|
|
188 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
46 47 48 49 50
|
|
46 14F-3 0.00003
|
|
47 2 S 1S 0.00001 2.16204
|
|
48 2S -0.00018 -0.15661 2.11396
|
|
49 3S 0.00053 -0.00368 -0.05148 0.66241
|
|
50 4S 0.00007 -0.00394 0.06973 0.05745 0.02044
|
|
51 5S 0.00010 0.00206 -0.05509 0.37501 0.03382
|
|
52 6S 0.00000 -0.00003 0.00091 -0.00943 -0.00061
|
|
53 7PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
54 7PY 0.00006 0.00000 0.00000 0.00000 0.00000
|
|
55 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
56 8PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
57 8PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
58 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
59 9PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
60 9PY 0.00002 0.00000 0.00000 0.00000 0.00000
|
|
61 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
62 10PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
63 10PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
64 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
65 11PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
66 11PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
67 11PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
68 12D 0 -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
69 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
70 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
71 12D+2 -0.00002 0.00000 0.00000 0.00000 0.00000
|
|
72 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
73 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
74 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
75 13D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
76 13D+2 -0.00002 0.00000 0.00000 0.00000 0.00000
|
|
77 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
78 14D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
79 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
80 14D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
81 14D+2 -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
82 14D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
83 15F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
84 15F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
85 15F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
86 15F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
87 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
88 15F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
89 15F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
90 16F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
91 16F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
92 16F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
93 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
94 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
95 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
96 16F-3 -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
97 3 H 1S -0.00001 0.00000 -0.00009 0.00634 0.00011
|
|
98 2S -0.00004 0.00006 -0.00165 0.01649 0.00023
|
|
99 3S 0.00000 0.00001 0.00007 -0.00835 -0.00116
|
|
100 4S 0.00000 0.00000 0.00014 -0.00184 -0.00015
|
|
101 5PX 0.00000 0.00000 -0.00003 0.00112 0.00005
|
|
102 5PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
103 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
104 6PX 0.00001 0.00003 -0.00094 0.00556 0.00050
|
|
105 6PY 0.00000 0.00000 0.00002 -0.00013 -0.00002
|
|
106 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
107 7PX -0.00001 0.00000 -0.00004 -0.00214 -0.00012
|
|
108 7PY 0.00001 0.00000 0.00004 -0.00029 -0.00002
|
|
109 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
110 8D 0 0.00000 0.00000 -0.00002 0.00007 0.00001
|
|
111 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
112 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
113 8D+2 0.00000 0.00000 -0.00005 0.00021 0.00002
|
|
114 8D-2 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
115 9D 0 0.00000 0.00000 0.00003 -0.00008 -0.00001
|
|
116 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
117 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
118 9D+2 0.00000 0.00000 -0.00006 0.00018 0.00007
|
|
119 9D-2 0.00000 0.00000 0.00003 -0.00008 -0.00001
|
|
120 4 H 1S 0.00005 0.00000 0.00000 -0.00006 0.00000
|
|
121 2S 0.00005 0.00000 0.00000 -0.00039 -0.00002
|
|
122 3S 0.00000 0.00000 0.00015 -0.00390 -0.00032
|
|
123 4S 0.00000 0.00000 -0.00001 -0.00014 -0.00001
|
|
124 5PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
125 5PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
126 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
127 6PX 0.00000 0.00000 0.00000 0.00002 0.00000
|
|
128 6PY -0.00002 0.00000 -0.00001 0.00043 0.00001
|
|
129 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
130 7PX 0.00000 0.00000 0.00005 -0.00074 -0.00006
|
|
131 7PY 0.00000 0.00001 -0.00026 0.00159 0.00011
|
|
132 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
133 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
134 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
135 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
136 8D+2 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
137 8D-2 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
138 9D 0 0.00000 0.00000 0.00001 -0.00007 0.00000
|
|
139 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
140 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
141 9D+2 0.00000 0.00000 -0.00001 0.00002 0.00000
|
|
142 9D-2 0.00001 0.00000 -0.00001 0.00020 0.00001
|
|
143 5 H 1S -0.00004 0.00000 0.00000 -0.00002 0.00000
|
|
144 2S -0.00003 0.00000 0.00000 0.00013 0.00000
|
|
145 3S 0.00000 0.00001 -0.00039 0.00423 0.00027
|
|
146 4S 0.00000 0.00000 -0.00009 0.00103 0.00007
|
|
147 5PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
148 5PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
149 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
150 6PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
151 6PY 0.00000 0.00000 0.00000 0.00021 0.00000
|
|
152 6PZ 0.00000 0.00000 0.00000 0.00002 0.00000
|
|
153 7PX 0.00000 0.00000 -0.00001 0.00009 0.00001
|
|
154 7PY 0.00000 0.00000 -0.00009 0.00080 0.00006
|
|
155 7PZ 0.00000 0.00000 -0.00010 0.00080 0.00006
|
|
156 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
157 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
158 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
159 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
160 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
161 9D 0 0.00000 0.00000 0.00000 0.00003 0.00000
|
|
162 9D+1 0.00000 0.00000 0.00000 -0.00001 0.00000
|
|
163 9D-1 0.00000 0.00000 0.00000 0.00006 0.00000
|
|
164 9D+2 0.00000 0.00000 -0.00002 0.00010 0.00000
|
|
165 9D-2 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
166 6 H 1S -0.00004 0.00000 0.00000 -0.00002 0.00000
|
|
167 2S -0.00003 0.00000 0.00000 0.00013 0.00000
|
|
168 3S 0.00000 0.00001 -0.00039 0.00423 0.00027
|
|
169 4S 0.00000 0.00000 -0.00009 0.00103 0.00007
|
|
170 5PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
171 5PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
172 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
173 6PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
174 6PY 0.00000 0.00000 0.00000 0.00021 0.00000
|
|
175 6PZ 0.00000 0.00000 0.00000 0.00002 0.00000
|
|
176 7PX 0.00000 0.00000 -0.00001 0.00009 0.00001
|
|
177 7PY 0.00000 0.00000 -0.00009 0.00080 0.00006
|
|
178 7PZ 0.00000 0.00000 -0.00010 0.00080 0.00006
|
|
179 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
180 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
181 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
182 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
183 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
184 9D 0 0.00000 0.00000 0.00000 0.00003 0.00000
|
|
185 9D+1 0.00000 0.00000 0.00000 -0.00001 0.00000
|
|
186 9D-1 0.00000 0.00000 0.00000 0.00006 0.00000
|
|
187 9D+2 0.00000 0.00000 -0.00002 0.00010 0.00000
|
|
188 9D-2 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
51 52 53 54 55
|
|
51 5S 0.31717
|
|
52 6S -0.00292 0.00342
|
|
53 7PX 0.00000 0.00000 1.96049
|
|
54 7PY 0.00000 0.00000 0.00000 1.95588
|
|
55 7PZ 0.00000 0.00000 0.00000 0.00000 2.00332
|
|
56 8PX 0.00000 0.00000 -0.02754 0.00000 0.00000
|
|
57 8PY 0.00000 0.00000 0.00000 -0.02603 0.00000
|
|
58 8PZ 0.00000 0.00000 0.00000 0.00000 -0.04025
|
|
59 9PX 0.00000 0.00000 0.02653 0.00000 0.00000
|
|
60 9PY 0.00000 0.00000 0.00000 0.02876 0.00000
|
|
61 9PZ 0.00000 0.00000 0.00000 0.00000 0.00588
|
|
62 10PX 0.00000 0.00000 -0.00459 0.00000 0.00000
|
|
63 10PY 0.00000 0.00000 0.00000 -0.00435 0.00000
|
|
64 10PZ 0.00000 0.00000 0.00000 0.00000 -0.01043
|
|
65 11PX 0.00000 0.00000 -0.00001 0.00000 0.00000
|
|
66 11PY 0.00000 0.00000 0.00000 -0.00003 0.00000
|
|
67 11PZ 0.00000 0.00000 0.00000 0.00000 -0.00028
|
|
68 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
69 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
70 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
71 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
72 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
73 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
74 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
75 13D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
76 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
77 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
78 14D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
79 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
80 14D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
81 14D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
82 14D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
83 15F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
84 15F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
85 15F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
86 15F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
87 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
88 15F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
89 15F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
90 16F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
91 16F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
92 16F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
93 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
94 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
95 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
96 16F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
97 3 H 1S 0.00238 -0.00095 -0.00033 -0.00001 0.00000
|
|
98 2S 0.00029 -0.00370 -0.00362 -0.00003 0.00000
|
|
99 3S -0.01028 -0.00025 -0.00081 -0.00004 0.00000
|
|
100 4S -0.00166 0.00037 -0.00001 0.00000 0.00000
|
|
101 5PX 0.00034 -0.00002 -0.00006 0.00000 0.00000
|
|
102 5PY -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
103 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
104 6PX 0.00231 -0.00008 0.00014 0.00001 0.00000
|
|
105 6PY -0.00016 -0.00001 0.00001 -0.00005 0.00000
|
|
106 6PZ 0.00000 0.00000 0.00000 0.00000 -0.00018
|
|
107 7PX 0.00039 0.00035 0.00003 -0.00002 0.00000
|
|
108 7PY -0.00004 0.00004 0.00000 0.00012 0.00000
|
|
109 7PZ 0.00000 0.00000 0.00000 0.00000 -0.00013
|
|
110 8D 0 0.00001 0.00000 -0.00002 0.00000 0.00000
|
|
111 8D+1 0.00000 0.00000 0.00000 0.00000 -0.00002
|
|
112 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
113 8D+2 0.00004 0.00000 -0.00006 0.00000 0.00000
|
|
114 8D-2 0.00000 0.00000 -0.00001 -0.00001 0.00000
|
|
115 9D 0 -0.00001 0.00000 0.00001 0.00000 0.00000
|
|
116 9D+1 0.00000 0.00000 0.00000 0.00000 -0.00001
|
|
117 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
118 9D+2 0.00016 0.00000 0.00008 0.00001 0.00000
|
|
119 9D-2 -0.00003 0.00000 0.00003 0.00008 0.00000
|
|
120 4 H 1S -0.00035 0.00010 0.00000 0.00000 0.00000
|
|
121 2S -0.00093 0.00001 0.00000 -0.00001 0.00000
|
|
122 3S -0.00408 0.00125 -0.00001 -0.00006 0.00000
|
|
123 4S -0.00032 0.00003 0.00000 -0.00001 0.00000
|
|
124 5PX -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
125 5PY -0.00001 -0.00001 0.00000 0.00000 0.00000
|
|
126 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
127 6PX 0.00004 0.00001 0.00000 0.00000 0.00000
|
|
128 6PY 0.00012 -0.00014 0.00000 -0.00002 0.00000
|
|
129 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
130 7PX -0.00070 0.00008 0.00000 -0.00003 0.00000
|
|
131 7PY 0.00141 -0.00006 -0.00002 -0.00002 0.00000
|
|
132 7PZ 0.00000 0.00000 0.00000 0.00000 0.00001
|
|
133 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
134 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
135 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
136 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
137 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
138 9D 0 -0.00007 -0.00001 0.00000 0.00000 0.00000
|
|
139 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
140 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
141 9D+2 -0.00004 0.00000 -0.00001 -0.00002 0.00000
|
|
142 9D-2 0.00004 -0.00002 0.00000 0.00000 0.00000
|
|
143 5 H 1S 0.00023 0.00068 0.00000 0.00000 0.00000
|
|
144 2S 0.00162 0.00198 0.00000 -0.00001 0.00000
|
|
145 3S 0.00468 -0.00091 0.00001 -0.00016 0.00006
|
|
146 4S 0.00108 -0.00020 0.00000 0.00000 0.00000
|
|
147 5PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
148 5PY -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
149 5PZ 0.00000 0.00001 0.00000 0.00000 0.00000
|
|
150 6PX -0.00001 -0.00001 0.00000 0.00000 0.00000
|
|
151 6PY -0.00017 -0.00013 0.00000 -0.00002 0.00000
|
|
152 6PZ 0.00003 0.00001 0.00000 0.00000 0.00000
|
|
153 7PX -0.00011 -0.00008 0.00000 -0.00002 0.00000
|
|
154 7PY 0.00039 -0.00025 0.00000 -0.00005 -0.00001
|
|
155 7PZ 0.00047 -0.00018 0.00000 -0.00004 0.00000
|
|
156 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
157 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
158 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
159 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
160 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
161 9D 0 0.00000 0.00000 0.00000 -0.00001 0.00000
|
|
162 9D+1 -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
163 9D-1 -0.00003 -0.00001 0.00000 -0.00001 0.00000
|
|
164 9D+2 -0.00001 -0.00001 0.00000 -0.00002 0.00000
|
|
165 9D-2 -0.00002 -0.00001 0.00000 0.00000 0.00000
|
|
166 6 H 1S 0.00023 0.00068 0.00000 0.00000 0.00000
|
|
167 2S 0.00162 0.00198 0.00000 -0.00001 0.00000
|
|
168 3S 0.00468 -0.00091 0.00001 -0.00016 0.00006
|
|
169 4S 0.00108 -0.00020 0.00000 0.00000 0.00000
|
|
170 5PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
171 5PY -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
172 5PZ 0.00000 0.00001 0.00000 0.00000 0.00000
|
|
173 6PX -0.00001 -0.00001 0.00000 0.00000 0.00000
|
|
174 6PY -0.00017 -0.00013 0.00000 -0.00002 0.00000
|
|
175 6PZ 0.00003 0.00001 0.00000 0.00000 0.00000
|
|
176 7PX -0.00011 -0.00008 0.00000 -0.00002 0.00000
|
|
177 7PY 0.00039 -0.00025 0.00000 -0.00005 -0.00001
|
|
178 7PZ 0.00047 -0.00018 0.00000 -0.00004 0.00000
|
|
179 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
180 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
181 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
182 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
183 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
184 9D 0 0.00000 0.00000 0.00000 -0.00001 0.00000
|
|
185 9D+1 -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
186 9D-1 -0.00003 -0.00001 0.00000 -0.00001 0.00000
|
|
187 9D+2 -0.00001 -0.00001 0.00000 -0.00002 0.00000
|
|
188 9D-2 -0.00002 -0.00001 0.00000 0.00000 0.00000
|
|
56 57 58 59 60
|
|
56 8PX 0.33946
|
|
57 8PY 0.00000 0.31379
|
|
58 8PZ 0.00000 0.00000 0.56103
|
|
59 9PX 0.10071 0.00000 0.00000 0.06500
|
|
60 9PY 0.00000 0.09349 0.00000 0.00000 0.06139
|
|
61 9PZ 0.00000 0.00000 0.16945 0.00000 0.00000
|
|
62 10PX 0.12724 0.00000 0.00000 0.02343 0.00000
|
|
63 10PY 0.00000 0.10224 0.00000 0.00000 0.01861
|
|
64 10PZ 0.00000 0.00000 0.29537 0.00000 0.00000
|
|
65 11PX 0.00040 0.00000 0.00000 0.00006 0.00000
|
|
66 11PY 0.00000 0.00113 0.00000 0.00000 0.00016
|
|
67 11PZ 0.00000 0.00000 0.01144 0.00000 0.00000
|
|
68 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
69 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
70 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
71 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
72 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
73 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
74 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
75 13D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
76 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
77 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
78 14D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
79 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
80 14D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
81 14D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
82 14D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
83 15F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
84 15F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
85 15F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
86 15F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
87 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
88 15F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
89 15F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
90 16F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
91 16F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
92 16F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
93 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
94 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
95 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
96 16F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
97 3 H 1S 0.04080 0.00069 0.00000 0.00515 0.00009
|
|
98 2S 0.10708 0.00096 0.00000 0.02029 0.00019
|
|
99 3S 0.02370 0.00104 0.00000 0.00379 0.00017
|
|
100 4S 0.00045 0.00004 0.00000 0.00006 0.00001
|
|
101 5PX 0.00219 0.00009 0.00000 0.00065 0.00002
|
|
102 5PY 0.00009 0.00026 0.00000 0.00002 0.00003
|
|
103 5PZ 0.00000 0.00000 0.00060 0.00000 0.00000
|
|
104 6PX 0.00198 -0.00003 0.00000 0.00083 0.00000
|
|
105 6PY 0.00023 0.00263 0.00000 0.00008 0.00050
|
|
106 6PZ 0.00000 0.00000 0.00654 0.00000 0.00000
|
|
107 7PX 0.00006 0.00027 0.00000 -0.00012 0.00005
|
|
108 7PY -0.00007 -0.00259 0.00000 -0.00001 -0.00041
|
|
109 7PZ 0.00000 0.00000 0.00478 0.00000 0.00000
|
|
110 8D 0 0.00007 0.00000 0.00000 0.00006 0.00000
|
|
111 8D+1 0.00000 0.00000 0.00044 0.00000 0.00000
|
|
112 8D-1 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
113 8D+2 0.00015 0.00002 0.00000 0.00014 0.00001
|
|
114 8D-2 0.00003 0.00029 0.00000 0.00002 0.00007
|
|
115 9D 0 0.00002 0.00000 0.00000 -0.00001 0.00000
|
|
116 9D+1 0.00000 0.00000 0.00181 0.00000 0.00000
|
|
117 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
118 9D+2 0.00033 -0.00009 0.00000 -0.00014 -0.00003
|
|
119 9D-2 -0.00007 0.00057 0.00000 -0.00003 0.00018
|
|
120 4 H 1S -0.00007 -0.00017 0.00000 0.00000 0.00000
|
|
121 2S -0.00055 -0.00044 0.00000 -0.00004 -0.00005
|
|
122 3S -0.00309 -0.00316 0.00000 -0.00045 -0.00050
|
|
123 4S 0.00018 0.00041 0.00000 0.00002 0.00005
|
|
124 5PX 0.00000 -0.00001 0.00000 0.00000 0.00000
|
|
125 5PY 0.00001 0.00005 0.00000 0.00000 0.00000
|
|
126 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
127 6PX 0.00000 0.00004 0.00000 0.00000 0.00000
|
|
128 6PY -0.00003 0.00163 0.00000 0.00000 0.00014
|
|
129 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
130 7PX 0.00038 -0.00012 0.00000 0.00004 -0.00003
|
|
131 7PY -0.00001 -0.00014 0.00000 -0.00001 -0.00003
|
|
132 7PZ 0.00000 0.00000 0.00062 0.00000 0.00000
|
|
133 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
134 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
135 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
136 8D+2 0.00000 0.00002 0.00000 0.00000 0.00000
|
|
137 8D-2 0.00000 0.00005 0.00000 0.00000 0.00000
|
|
138 9D 0 -0.00001 0.00006 0.00000 0.00000 0.00001
|
|
139 9D+1 0.00000 0.00000 0.00003 0.00000 0.00000
|
|
140 9D-1 0.00000 0.00000 0.00013 0.00000 0.00000
|
|
141 9D+2 0.00017 0.00025 0.00000 0.00002 0.00006
|
|
142 9D-2 -0.00001 0.00032 0.00000 -0.00001 0.00006
|
|
143 5 H 1S -0.00001 -0.00021 -0.00009 0.00000 0.00000
|
|
144 2S -0.00015 -0.00059 -0.00108 -0.00001 -0.00005
|
|
145 3S -0.00102 0.00293 -0.00705 -0.00014 0.00035
|
|
146 4S -0.00003 0.00005 -0.00019 0.00000 0.00001
|
|
147 5PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
148 5PY 0.00000 0.00004 0.00001 0.00000 0.00000
|
|
149 5PZ 0.00000 -0.00001 0.00000 0.00000 0.00000
|
|
150 6PX 0.00000 0.00000 -0.00001 0.00000 0.00000
|
|
151 6PY 0.00001 0.00181 0.00012 0.00000 0.00014
|
|
152 6PZ -0.00001 0.00006 0.00000 0.00000 0.00000
|
|
153 7PX 0.00035 0.00061 -0.00022 0.00005 0.00010
|
|
154 7PY -0.00008 0.00038 -0.00039 -0.00001 0.00005
|
|
155 7PZ -0.00011 0.00067 0.00101 -0.00002 0.00010
|
|
156 8D 0 0.00000 0.00001 0.00000 0.00000 0.00000
|
|
157 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
158 8D-1 0.00000 0.00003 0.00000 0.00000 0.00000
|
|
159 8D+2 0.00000 0.00003 0.00000 0.00000 0.00000
|
|
160 8D-2 0.00000 0.00001 0.00000 0.00000 0.00000
|
|
161 9D 0 0.00000 0.00008 -0.00001 0.00000 0.00001
|
|
162 9D+1 0.00000 -0.00002 0.00000 0.00000 0.00000
|
|
163 9D-1 0.00002 0.00028 0.00000 0.00000 0.00005
|
|
164 9D+2 0.00003 0.00033 0.00002 0.00000 0.00006
|
|
165 9D-2 0.00002 0.00013 0.00001 0.00000 0.00002
|
|
166 6 H 1S -0.00001 -0.00021 -0.00009 0.00000 0.00000
|
|
167 2S -0.00015 -0.00059 -0.00108 -0.00001 -0.00005
|
|
168 3S -0.00102 0.00293 -0.00705 -0.00014 0.00035
|
|
169 4S -0.00003 0.00005 -0.00019 0.00000 0.00001
|
|
170 5PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
171 5PY 0.00000 0.00004 0.00001 0.00000 0.00000
|
|
172 5PZ 0.00000 -0.00001 0.00000 0.00000 0.00000
|
|
173 6PX 0.00000 0.00000 -0.00001 0.00000 0.00000
|
|
174 6PY 0.00001 0.00181 0.00012 0.00000 0.00014
|
|
175 6PZ -0.00001 0.00006 0.00000 0.00000 0.00000
|
|
176 7PX 0.00035 0.00061 -0.00022 0.00005 0.00010
|
|
177 7PY -0.00008 0.00038 -0.00039 -0.00001 0.00005
|
|
178 7PZ -0.00011 0.00067 0.00101 -0.00002 0.00010
|
|
179 8D 0 0.00000 0.00001 0.00000 0.00000 0.00000
|
|
180 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
181 8D-1 0.00000 0.00003 0.00000 0.00000 0.00000
|
|
182 8D+2 0.00000 0.00003 0.00000 0.00000 0.00000
|
|
183 8D-2 0.00000 0.00001 0.00000 0.00000 0.00000
|
|
184 9D 0 0.00000 0.00008 -0.00001 0.00000 0.00001
|
|
185 9D+1 0.00000 -0.00002 0.00000 0.00000 0.00000
|
|
186 9D-1 0.00002 0.00028 0.00000 0.00000 0.00005
|
|
187 9D+2 0.00003 0.00033 0.00002 0.00000 0.00006
|
|
188 9D-2 0.00002 0.00013 0.00001 0.00000 0.00002
|
|
61 62 63 64 65
|
|
61 9PZ 0.10329
|
|
62 10PX 0.00000 0.10002
|
|
63 10PY 0.00000 0.00000 0.06833
|
|
64 10PZ 0.05465 0.00000 0.00000 0.31219
|
|
65 11PX 0.00000 0.00107 0.00000 0.00000 0.00017
|
|
66 11PY 0.00000 0.00000 0.00182 0.00000 0.00000
|
|
67 11PZ 0.00160 0.00000 0.00000 0.02155 0.00000
|
|
68 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
69 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
70 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
71 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
72 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
73 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
74 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
75 13D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
76 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
77 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
78 14D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
79 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
80 14D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
81 14D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
82 14D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
83 15F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
84 15F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
85 15F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
86 15F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
87 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
88 15F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
89 15F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
90 16F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
91 16F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
92 16F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
93 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
94 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
95 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
96 16F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
97 3 H 1S 0.00000 0.02025 0.00008 0.00000 -0.00003
|
|
98 2S 0.00000 0.06273 -0.00025 0.00000 0.00000
|
|
99 3S 0.00000 0.02037 0.00047 0.00000 -0.00017
|
|
100 4S 0.00000 0.00060 0.00004 0.00000 -0.00004
|
|
101 5PX 0.00000 0.00013 0.00001 0.00000 0.00000
|
|
102 5PY 0.00000 0.00002 0.00013 0.00000 0.00000
|
|
103 5PZ 0.00007 0.00000 0.00000 0.00045 0.00000
|
|
104 6PX 0.00000 0.00007 0.00000 0.00000 0.00000
|
|
105 6PY 0.00000 0.00010 0.00142 0.00000 0.00000
|
|
106 6PZ 0.00125 0.00000 0.00000 0.00553 0.00000
|
|
107 7PX 0.00000 0.00138 0.00017 0.00000 0.00005
|
|
108 7PY 0.00000 -0.00009 -0.00199 0.00000 0.00000
|
|
109 7PZ 0.00080 0.00000 0.00000 0.00625 0.00000
|
|
110 8D 0 0.00000 -0.00001 0.00000 0.00000 0.00000
|
|
111 8D+1 0.00012 0.00000 0.00000 0.00013 0.00000
|
|
112 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
113 8D+2 0.00000 -0.00002 0.00000 0.00000 0.00000
|
|
114 8D-2 0.00000 0.00000 0.00006 0.00000 0.00000
|
|
115 9D 0 0.00000 0.00004 0.00000 0.00000 0.00000
|
|
116 9D+1 0.00050 0.00000 0.00000 0.00093 0.00000
|
|
117 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
118 9D+2 0.00000 0.00047 0.00000 0.00000 0.00000
|
|
119 9D-2 0.00000 0.00000 0.00016 0.00000 0.00000
|
|
120 4 H 1S 0.00000 -0.00076 -0.00034 0.00000 -0.00002
|
|
121 2S 0.00000 -0.00247 0.00018 0.00000 -0.00009
|
|
122 3S 0.00000 -0.00305 -0.00241 0.00000 0.00017
|
|
123 4S 0.00000 0.00026 0.00047 0.00000 -0.00001
|
|
124 5PX 0.00000 0.00000 -0.00002 0.00000 0.00000
|
|
125 5PY 0.00000 -0.00001 0.00007 0.00000 0.00000
|
|
126 5PZ 0.00000 0.00000 0.00000 -0.00001 0.00000
|
|
127 6PX 0.00000 -0.00001 0.00003 0.00000 0.00000
|
|
128 6PY 0.00000 -0.00015 0.00102 0.00000 -0.00002
|
|
129 6PZ 0.00000 0.00000 0.00000 -0.00010 0.00000
|
|
130 7PX 0.00000 0.00043 0.00000 0.00000 -0.00004
|
|
131 7PY 0.00000 0.00016 -0.00013 0.00000 0.00001
|
|
132 7PZ 0.00009 0.00000 0.00000 0.00112 0.00000
|
|
133 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
134 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
135 8D-1 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
136 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
137 8D-2 0.00000 0.00000 0.00002 0.00000 0.00000
|
|
138 9D 0 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
139 9D+1 0.00000 0.00000 0.00000 0.00002 0.00000
|
|
140 9D-1 0.00002 0.00000 0.00000 0.00015 0.00000
|
|
141 9D+2 0.00000 0.00004 -0.00002 0.00000 0.00000
|
|
142 9D-2 0.00000 0.00004 0.00009 0.00000 0.00000
|
|
143 5 H 1S 0.00000 -0.00020 -0.00095 -0.00117 -0.00004
|
|
144 2S -0.00007 -0.00077 -0.00128 -0.00473 -0.00009
|
|
145 3S -0.00098 -0.00115 0.00226 -0.01282 0.00005
|
|
146 4S -0.00003 -0.00004 0.00001 -0.00037 0.00000
|
|
147 5PX 0.00000 0.00000 -0.00001 -0.00001 0.00000
|
|
148 5PY 0.00000 0.00000 0.00006 0.00000 0.00000
|
|
149 5PZ 0.00000 0.00000 -0.00002 0.00001 0.00000
|
|
150 6PX 0.00000 -0.00005 0.00001 -0.00003 -0.00001
|
|
151 6PY 0.00001 0.00008 0.00133 0.00016 0.00001
|
|
152 6PZ 0.00000 -0.00001 0.00005 -0.00001 0.00000
|
|
153 7PX -0.00004 0.00011 0.00044 -0.00024 -0.00010
|
|
154 7PY -0.00007 -0.00001 0.00017 -0.00035 0.00001
|
|
155 7PZ 0.00012 -0.00006 0.00041 0.00207 0.00001
|
|
156 8D 0 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
157 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
158 8D-1 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
159 8D+2 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
160 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
161 9D 0 0.00000 0.00000 0.00000 -0.00003 0.00000
|
|
162 9D+1 0.00000 -0.00001 -0.00001 0.00000 0.00000
|
|
163 9D-1 0.00000 0.00002 0.00009 -0.00003 0.00000
|
|
164 9D+2 0.00000 0.00003 0.00005 0.00002 0.00000
|
|
165 9D-2 0.00000 -0.00002 0.00004 0.00001 0.00000
|
|
166 6 H 1S 0.00000 -0.00020 -0.00095 -0.00117 -0.00004
|
|
167 2S -0.00007 -0.00077 -0.00128 -0.00473 -0.00009
|
|
168 3S -0.00098 -0.00115 0.00226 -0.01282 0.00005
|
|
169 4S -0.00003 -0.00004 0.00001 -0.00037 0.00000
|
|
170 5PX 0.00000 0.00000 -0.00001 -0.00001 0.00000
|
|
171 5PY 0.00000 0.00000 0.00006 0.00000 0.00000
|
|
172 5PZ 0.00000 0.00000 -0.00002 0.00001 0.00000
|
|
173 6PX 0.00000 -0.00005 0.00001 -0.00003 -0.00001
|
|
174 6PY 0.00001 0.00008 0.00133 0.00016 0.00001
|
|
175 6PZ 0.00000 -0.00001 0.00005 -0.00001 0.00000
|
|
176 7PX -0.00004 0.00011 0.00044 -0.00024 -0.00010
|
|
177 7PY -0.00007 -0.00001 0.00017 -0.00035 0.00001
|
|
178 7PZ 0.00012 -0.00006 0.00041 0.00207 0.00001
|
|
179 8D 0 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
180 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
181 8D-1 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
182 8D+2 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
183 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
184 9D 0 0.00000 0.00000 0.00000 -0.00003 0.00000
|
|
185 9D+1 0.00000 -0.00001 -0.00001 0.00000 0.00000
|
|
186 9D-1 0.00000 0.00002 0.00009 -0.00003 0.00000
|
|
187 9D+2 0.00000 0.00003 0.00005 0.00002 0.00000
|
|
188 9D-2 0.00000 -0.00002 0.00004 0.00001 0.00000
|
|
66 67 68 69 70
|
|
66 11PY 0.00037
|
|
67 11PZ 0.00000 0.00328
|
|
68 12D 0 0.00000 0.00000 0.00203
|
|
69 12D+1 0.00000 0.00000 0.00000 0.00005
|
|
70 12D-1 0.00000 0.00000 0.00000 0.00000 0.00054
|
|
71 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
72 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
73 13D 0 0.00000 0.00000 0.00118 0.00000 0.00000
|
|
74 13D+1 0.00000 0.00000 0.00000 0.00003 0.00000
|
|
75 13D-1 0.00000 0.00000 0.00000 0.00000 0.00028
|
|
76 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
77 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
78 14D 0 0.00000 0.00000 0.00045 0.00000 0.00000
|
|
79 14D+1 0.00000 0.00000 0.00000 0.00002 0.00000
|
|
80 14D-1 0.00000 0.00000 0.00000 0.00000 -0.00006
|
|
81 14D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
82 14D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
83 15F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
84 15F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
85 15F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
86 15F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
87 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
88 15F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
89 15F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
90 16F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
91 16F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
92 16F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
93 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
94 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
95 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
96 16F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
97 3 H 1S -0.00002 0.00000 0.00163 0.00000 0.00000
|
|
98 2S -0.00011 0.00000 0.00295 0.00000 0.00000
|
|
99 3S -0.00008 0.00000 0.00027 0.00000 0.00000
|
|
100 4S -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
101 5PX 0.00000 0.00000 0.00003 0.00000 0.00000
|
|
102 5PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
103 5PZ 0.00000 0.00002 0.00000 0.00001 0.00000
|
|
104 6PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
105 6PY 0.00003 0.00000 0.00000 0.00000 0.00000
|
|
106 6PZ 0.00000 0.00028 0.00000 0.00010 0.00000
|
|
107 7PX 0.00000 0.00000 0.00009 0.00000 0.00000
|
|
108 7PY 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
109 7PZ 0.00000 0.00054 0.00000 0.00004 0.00000
|
|
110 8D 0 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
111 8D+1 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
112 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
113 8D+2 0.00000 0.00000 -0.00001 0.00000 0.00000
|
|
114 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
115 9D 0 0.00000 0.00000 -0.00002 0.00000 0.00000
|
|
116 9D+1 0.00000 0.00002 0.00000 0.00001 0.00000
|
|
117 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
118 9D+2 0.00000 0.00000 0.00006 0.00000 0.00000
|
|
119 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
120 4 H 1S 0.00013 0.00000 0.00007 0.00000 0.00000
|
|
121 2S 0.00036 0.00000 0.00031 0.00000 0.00000
|
|
122 3S 0.00046 0.00000 0.00008 0.00000 0.00000
|
|
123 4S -0.00002 0.00000 0.00000 0.00000 0.00000
|
|
124 5PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
125 5PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
126 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
127 6PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
128 6PY 0.00000 0.00000 0.00007 0.00000 0.00000
|
|
129 6PZ 0.00000 -0.00003 0.00000 0.00000 0.00004
|
|
130 7PX 0.00002 0.00000 0.00000 0.00000 0.00000
|
|
131 7PY 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
132 7PZ 0.00000 0.00013 0.00000 0.00000 0.00000
|
|
133 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
134 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
135 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
136 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
137 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
138 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
139 9D+1 0.00000 0.00000 0.00000 0.00000 0.00001
|
|
140 9D-1 0.00000 0.00001 0.00000 0.00000 0.00000
|
|
141 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
142 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
143 5 H 1S 0.00005 -0.00022 -0.00001 0.00000 0.00014
|
|
144 2S 0.00007 -0.00082 -0.00002 0.00000 0.00059
|
|
145 3S -0.00045 -0.00156 -0.00003 -0.00002 -0.00010
|
|
146 4S -0.00005 -0.00006 0.00000 0.00000 0.00000
|
|
147 5PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
148 5PY 0.00000 0.00000 0.00000 0.00000 0.00001
|
|
149 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
150 6PX 0.00000 0.00000 0.00000 0.00000 0.00001
|
|
151 6PY 0.00000 0.00001 0.00003 0.00000 0.00001
|
|
152 6PZ 0.00000 -0.00001 0.00000 0.00000 0.00000
|
|
153 7PX 0.00000 -0.00001 0.00000 0.00001 -0.00001
|
|
154 7PY 0.00000 -0.00001 0.00000 0.00000 -0.00003
|
|
155 7PZ -0.00003 0.00025 0.00000 0.00000 0.00007
|
|
156 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
157 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
158 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
159 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
160 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
161 9D 0 0.00000 0.00000 0.00000 0.00000 0.00001
|
|
162 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
163 9D-1 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
164 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
165 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
166 6 H 1S 0.00005 -0.00022 -0.00001 0.00000 0.00014
|
|
167 2S 0.00007 -0.00082 -0.00002 0.00000 0.00059
|
|
168 3S -0.00045 -0.00156 -0.00003 -0.00002 -0.00010
|
|
169 4S -0.00005 -0.00006 0.00000 0.00000 0.00000
|
|
170 5PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
171 5PY 0.00000 0.00000 0.00000 0.00000 0.00001
|
|
172 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
173 6PX 0.00000 0.00000 0.00000 0.00000 0.00001
|
|
174 6PY 0.00000 0.00001 0.00003 0.00000 0.00001
|
|
175 6PZ 0.00000 -0.00001 0.00000 0.00000 0.00000
|
|
176 7PX 0.00000 -0.00001 0.00000 0.00001 -0.00001
|
|
177 7PY 0.00000 -0.00001 0.00000 0.00000 -0.00003
|
|
178 7PZ -0.00003 0.00025 0.00000 0.00000 0.00007
|
|
179 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
180 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
181 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
182 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
183 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
184 9D 0 0.00000 0.00000 0.00000 0.00000 0.00001
|
|
185 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
186 9D-1 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
187 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
188 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
71 72 73 74 75
|
|
71 12D+2 0.00860
|
|
72 12D-2 0.00000 0.00085
|
|
73 13D 0 0.00000 0.00000 0.00201
|
|
74 13D+1 0.00000 0.00000 0.00000 0.00006
|
|
75 13D-1 0.00000 0.00000 0.00000 0.00000 0.00043
|
|
76 13D+2 0.00472 0.00000 0.00000 0.00000 0.00000
|
|
77 13D-2 0.00000 0.00046 0.00000 0.00000 0.00000
|
|
78 14D 0 0.00000 0.00000 0.00011 0.00000 0.00000
|
|
79 14D+1 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
80 14D-1 0.00000 0.00000 0.00000 0.00000 -0.00001
|
|
81 14D+2 0.00105 0.00000 0.00000 0.00000 0.00000
|
|
82 14D-2 0.00000 -0.00018 0.00000 0.00000 0.00000
|
|
83 15F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
84 15F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
85 15F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
86 15F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
87 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
88 15F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
89 15F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
90 16F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
91 16F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
92 16F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
93 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
94 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
95 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
96 16F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
97 3 H 1S 0.00637 0.00028 0.00068 0.00000 0.00000
|
|
98 2S 0.01042 0.00048 0.00123 0.00000 0.00000
|
|
99 3S 0.00153 0.00008 0.00007 0.00000 0.00000
|
|
100 4S 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
101 5PX 0.00014 0.00001 0.00007 0.00000 0.00000
|
|
102 5PY -0.00001 0.00001 0.00000 0.00000 0.00000
|
|
103 5PZ 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
104 6PX 0.00000 0.00000 0.00005 0.00000 0.00000
|
|
105 6PY -0.00011 0.00006 0.00001 0.00000 0.00000
|
|
106 6PZ 0.00000 0.00000 0.00000 0.00005 0.00000
|
|
107 7PX 0.00012 0.00000 0.00002 0.00000 0.00000
|
|
108 7PY 0.00003 0.00007 0.00000 0.00000 0.00000
|
|
109 7PZ 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
110 8D 0 -0.00001 0.00000 0.00001 0.00000 0.00000
|
|
111 8D+1 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
112 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
113 8D+2 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
114 8D-2 -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
115 9D 0 0.00001 0.00000 -0.00001 0.00000 0.00000
|
|
116 9D+1 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
117 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
118 9D+2 0.00000 -0.00001 0.00002 0.00000 0.00000
|
|
119 9D-2 -0.00002 0.00002 0.00000 0.00000 0.00000
|
|
120 4 H 1S -0.00008 0.00028 0.00000 0.00000 0.00000
|
|
121 2S -0.00019 0.00107 0.00003 0.00000 0.00000
|
|
122 3S -0.00050 -0.00015 0.00001 0.00000 0.00000
|
|
123 4S 0.00002 -0.00001 0.00000 0.00000 0.00000
|
|
124 5PX 0.00000 0.00001 0.00000 0.00000 0.00000
|
|
125 5PY 0.00001 0.00001 0.00000 0.00000 0.00000
|
|
126 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
127 6PX 0.00002 0.00000 0.00000 0.00000 0.00000
|
|
128 6PY 0.00013 -0.00003 0.00002 0.00000 0.00000
|
|
129 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
130 7PX -0.00013 0.00008 0.00000 0.00000 0.00000
|
|
131 7PY 0.00000 -0.00004 0.00000 0.00000 0.00000
|
|
132 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
133 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
134 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
135 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
136 8D+2 0.00000 -0.00001 0.00000 0.00000 0.00000
|
|
137 8D-2 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
138 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
139 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
140 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
141 9D+2 -0.00006 0.00000 0.00000 0.00000 0.00000
|
|
142 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
143 5 H 1S 0.00003 0.00004 0.00000 0.00000 0.00000
|
|
144 2S 0.00038 0.00021 0.00000 0.00000 0.00006
|
|
145 3S 0.00057 0.00000 0.00000 0.00000 -0.00002
|
|
146 4S 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
147 5PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
148 5PY 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
149 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
150 6PX -0.00001 0.00002 0.00000 0.00000 0.00000
|
|
151 6PY 0.00025 0.00002 0.00001 0.00000 0.00000
|
|
152 6PZ 0.00003 0.00001 0.00000 0.00000 0.00000
|
|
153 7PX 0.00010 0.00003 0.00000 0.00000 0.00000
|
|
154 7PY 0.00001 -0.00002 0.00000 0.00000 -0.00001
|
|
155 7PZ 0.00007 -0.00001 0.00000 0.00000 0.00001
|
|
156 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
157 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
158 8D-1 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
159 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
160 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
161 9D 0 -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
162 9D+1 -0.00001 0.00001 0.00000 0.00000 0.00000
|
|
163 9D-1 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
164 9D+2 0.00001 0.00001 0.00000 0.00000 0.00000
|
|
165 9D-2 0.00002 0.00001 0.00000 0.00000 0.00000
|
|
166 6 H 1S 0.00003 0.00004 0.00000 0.00000 0.00000
|
|
167 2S 0.00038 0.00021 0.00000 0.00000 0.00006
|
|
168 3S 0.00057 0.00000 0.00000 0.00000 -0.00002
|
|
169 4S 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
170 5PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
171 5PY 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
172 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
173 6PX -0.00001 0.00002 0.00000 0.00000 0.00000
|
|
174 6PY 0.00025 0.00002 0.00001 0.00000 0.00000
|
|
175 6PZ 0.00003 0.00001 0.00000 0.00000 0.00000
|
|
176 7PX 0.00010 0.00003 0.00000 0.00000 0.00000
|
|
177 7PY 0.00001 -0.00002 0.00000 0.00000 -0.00001
|
|
178 7PZ 0.00007 -0.00001 0.00000 0.00000 0.00001
|
|
179 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
180 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
181 8D-1 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
182 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
183 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
184 9D 0 -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
185 9D+1 -0.00001 0.00001 0.00000 0.00000 0.00000
|
|
186 9D-1 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
187 9D+2 0.00001 0.00001 0.00000 0.00000 0.00000
|
|
188 9D-2 0.00002 0.00001 0.00000 0.00000 0.00000
|
|
76 77 78 79 80
|
|
76 13D+2 0.00736
|
|
77 13D-2 0.00000 0.00073
|
|
78 14D 0 0.00000 0.00000 0.00042
|
|
79 14D+1 0.00000 0.00000 0.00000 0.00003
|
|
80 14D-1 0.00000 0.00000 0.00000 0.00000 0.00014
|
|
81 14D+2 0.00028 0.00000 0.00000 0.00000 0.00000
|
|
82 14D-2 0.00000 -0.00005 0.00000 0.00000 0.00000
|
|
83 15F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
84 15F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
85 15F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
86 15F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
87 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
88 15F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
89 15F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
90 16F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
91 16F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
92 16F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
93 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
94 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
95 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
96 16F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
97 3 H 1S 0.00243 0.00013 0.00021 0.00000 0.00000
|
|
98 2S 0.00407 0.00023 0.00064 0.00000 0.00000
|
|
99 3S 0.00038 0.00002 0.00017 0.00000 0.00000
|
|
100 4S 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
101 5PX 0.00028 0.00002 0.00000 0.00000 0.00000
|
|
102 5PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
103 5PZ 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
104 6PX 0.00009 0.00001 0.00001 0.00000 0.00000
|
|
105 6PY -0.00005 0.00002 0.00000 0.00000 0.00000
|
|
106 6PZ 0.00000 0.00000 0.00000 0.00006 -0.00002
|
|
107 7PX 0.00003 0.00000 0.00005 0.00000 0.00000
|
|
108 7PY 0.00001 0.00002 0.00000 0.00000 0.00000
|
|
109 7PZ 0.00000 0.00000 0.00000 0.00005 -0.00001
|
|
110 8D 0 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
111 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
112 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
113 8D+2 0.00004 0.00000 0.00000 0.00000 0.00000
|
|
114 8D-2 -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
115 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
116 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
117 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
118 9D+2 0.00000 -0.00001 0.00002 0.00000 0.00000
|
|
119 9D-2 -0.00002 0.00002 0.00000 0.00000 0.00000
|
|
120 4 H 1S 0.00000 0.00000 -0.00001 0.00000 0.00000
|
|
121 2S -0.00003 0.00012 -0.00003 0.00000 0.00000
|
|
122 3S -0.00010 -0.00003 0.00020 0.00000 0.00000
|
|
123 4S 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
124 5PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
125 5PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
126 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
127 6PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
128 6PY 0.00003 0.00000 0.00001 0.00000 0.00000
|
|
129 6PZ 0.00000 0.00000 0.00000 0.00000 -0.00002
|
|
130 7PX -0.00003 0.00001 0.00000 0.00000 0.00000
|
|
131 7PY 0.00000 -0.00001 0.00000 0.00000 0.00000
|
|
132 7PZ 0.00000 0.00000 0.00000 -0.00001 0.00003
|
|
133 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
134 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
135 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
136 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
137 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
138 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
139 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
140 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
141 9D+2 -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
142 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
143 5 H 1S 0.00000 0.00000 0.00002 -0.00001 -0.00016
|
|
144 2S 0.00003 0.00002 0.00004 -0.00004 -0.00048
|
|
145 3S 0.00011 0.00000 -0.00010 -0.00003 -0.00032
|
|
146 4S 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
147 5PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
148 5PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
149 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
150 6PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
151 6PY 0.00004 0.00000 0.00000 0.00000 0.00000
|
|
152 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
153 7PX 0.00002 0.00001 0.00000 0.00000 0.00000
|
|
154 7PY 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
155 7PZ 0.00002 0.00000 -0.00004 0.00000 0.00003
|
|
156 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
157 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
158 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
159 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
160 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
161 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
162 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
163 9D-1 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
164 9D+2 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
165 9D-2 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
166 6 H 1S 0.00000 0.00000 0.00002 -0.00001 -0.00016
|
|
167 2S 0.00003 0.00002 0.00004 -0.00004 -0.00048
|
|
168 3S 0.00011 0.00000 -0.00010 -0.00003 -0.00032
|
|
169 4S 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
170 5PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
171 5PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
172 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
173 6PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
174 6PY 0.00004 0.00000 0.00000 0.00000 0.00000
|
|
175 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
176 7PX 0.00002 0.00001 0.00000 0.00000 0.00000
|
|
177 7PY 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
178 7PZ 0.00002 0.00000 -0.00004 0.00000 0.00003
|
|
179 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
180 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
181 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
182 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
183 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
184 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
185 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
186 9D-1 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
187 9D+2 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
188 9D-2 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
81 82 83 84 85
|
|
81 14D+2 0.00033
|
|
82 14D-2 0.00000 0.00029
|
|
83 15F 0 0.00000 0.00000 0.00010
|
|
84 15F+1 0.00000 0.00000 0.00000 0.00028
|
|
85 15F-1 0.00000 0.00000 0.00000 0.00000 0.00021
|
|
86 15F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
87 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
88 15F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
89 15F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
90 16F 0 0.00000 0.00000 0.00003 0.00000 0.00000
|
|
91 16F+1 0.00000 0.00000 0.00000 0.00002 0.00000
|
|
92 16F-1 0.00000 0.00000 0.00000 0.00000 0.00001
|
|
93 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
94 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
95 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
96 16F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
97 3 H 1S 0.00089 -0.00008 0.00000 0.00085 0.00002
|
|
98 2S 0.00216 -0.00024 0.00000 0.00070 0.00001
|
|
99 3S 0.00052 -0.00004 0.00000 0.00002 0.00000
|
|
100 4S 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
101 5PX -0.00002 0.00000 0.00000 0.00005 0.00000
|
|
102 5PY 0.00000 0.00001 0.00000 0.00000 0.00000
|
|
103 5PZ 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
104 6PX -0.00004 0.00000 0.00000 0.00000 0.00000
|
|
105 6PY -0.00001 0.00008 0.00000 0.00000 0.00002
|
|
106 6PZ 0.00000 0.00000 0.00005 0.00000 0.00000
|
|
107 7PX 0.00009 -0.00001 0.00000 0.00001 0.00000
|
|
108 7PY 0.00000 -0.00015 0.00000 0.00000 0.00000
|
|
109 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
110 8D 0 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
111 8D+1 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
112 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
113 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
114 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
115 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
116 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
117 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
118 9D+2 -0.00002 0.00000 0.00000 0.00001 0.00000
|
|
119 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
120 4 H 1S -0.00001 -0.00034 0.00000 0.00000 0.00000
|
|
121 2S -0.00001 -0.00093 0.00000 0.00000 0.00001
|
|
122 3S -0.00022 0.00024 0.00000 -0.00001 -0.00001
|
|
123 4S 0.00001 0.00001 0.00000 0.00000 0.00000
|
|
124 5PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
125 5PY 0.00000 -0.00001 0.00000 0.00000 0.00000
|
|
126 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
127 6PX 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
128 6PY 0.00000 -0.00005 0.00000 0.00000 0.00002
|
|
129 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
130 7PX -0.00006 -0.00011 0.00000 0.00000 0.00000
|
|
131 7PY 0.00001 0.00002 0.00000 0.00000 0.00000
|
|
132 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
133 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
134 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
135 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
136 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
137 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
138 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
139 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
140 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
141 9D+2 -0.00002 -0.00001 0.00000 0.00000 0.00000
|
|
142 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
143 5 H 1S 0.00010 -0.00013 0.00000 0.00000 0.00000
|
|
144 2S 0.00035 -0.00031 0.00002 0.00000 0.00000
|
|
145 3S 0.00024 0.00005 -0.00002 0.00000 0.00000
|
|
146 4S 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
147 5PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
148 5PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
149 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
150 6PX 0.00000 -0.00003 0.00000 0.00000 0.00000
|
|
151 6PY 0.00002 0.00002 0.00000 0.00000 0.00000
|
|
152 6PZ 0.00001 -0.00001 0.00000 0.00000 0.00000
|
|
153 7PX 0.00003 -0.00012 0.00000 0.00000 0.00000
|
|
154 7PY 0.00000 0.00001 0.00000 0.00000 0.00000
|
|
155 7PZ 0.00001 0.00002 0.00000 0.00000 0.00001
|
|
156 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
157 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
158 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
159 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
160 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
161 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
162 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
163 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
164 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
165 9D-2 0.00000 -0.00001 0.00000 0.00000 0.00000
|
|
166 6 H 1S 0.00010 -0.00013 0.00000 0.00000 0.00000
|
|
167 2S 0.00035 -0.00031 0.00002 0.00000 0.00000
|
|
168 3S 0.00024 0.00005 -0.00002 0.00000 0.00000
|
|
169 4S 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
170 5PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
171 5PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
172 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
173 6PX 0.00000 -0.00003 0.00000 0.00000 0.00000
|
|
174 6PY 0.00002 0.00002 0.00000 0.00000 0.00000
|
|
175 6PZ 0.00001 -0.00001 0.00000 0.00000 0.00000
|
|
176 7PX 0.00003 -0.00012 0.00000 0.00000 0.00000
|
|
177 7PY 0.00000 0.00001 0.00000 0.00000 0.00000
|
|
178 7PZ 0.00001 0.00002 0.00000 0.00000 0.00001
|
|
179 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
180 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
181 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
182 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
183 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
184 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
185 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
186 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
187 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
188 9D-2 0.00000 -0.00001 0.00000 0.00000 0.00000
|
|
86 87 88 89 90
|
|
86 15F+2 0.00005
|
|
87 15F-2 0.00000 0.00001
|
|
88 15F+3 0.00000 0.00000 0.00032
|
|
89 15F-3 0.00000 0.00000 0.00000 0.00020
|
|
90 16F 0 0.00000 0.00000 0.00000 0.00000 0.00004
|
|
91 16F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
92 16F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
93 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
94 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
95 16F+3 0.00000 0.00000 0.00002 0.00000 0.00000
|
|
96 16F-3 0.00000 0.00000 0.00000 -0.00002 0.00000
|
|
97 3 H 1S 0.00000 0.00000 0.00097 0.00014 0.00000
|
|
98 2S 0.00000 0.00000 0.00080 0.00012 0.00000
|
|
99 3S 0.00000 0.00000 0.00003 0.00000 0.00000
|
|
100 4S 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
101 5PX 0.00000 0.00000 0.00005 0.00001 0.00000
|
|
102 5PY 0.00000 0.00000 0.00000 -0.00002 0.00000
|
|
103 5PZ 0.00000 0.00000 0.00000 0.00000 0.00001
|
|
104 6PX 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
105 6PY 0.00000 0.00000 0.00000 -0.00005 0.00000
|
|
106 6PZ 0.00000 0.00001 0.00000 0.00000 0.00005
|
|
107 7PX 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
108 7PY 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
109 7PZ 0.00000 0.00000 0.00000 0.00000 0.00001
|
|
110 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
111 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
112 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
113 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
114 8D-2 0.00000 0.00000 0.00000 -0.00001 0.00000
|
|
115 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
116 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
117 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
118 9D+2 0.00000 0.00000 -0.00001 0.00000 0.00000
|
|
119 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
120 4 H 1S 0.00000 0.00000 0.00002 0.00000 0.00000
|
|
121 2S 0.00000 0.00000 0.00015 0.00000 0.00000
|
|
122 3S 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
123 4S 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
124 5PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
125 5PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
126 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
127 6PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
128 6PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
129 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
130 7PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
131 7PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
132 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
133 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
134 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
135 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
136 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
137 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
138 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
139 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
140 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
141 9D+2 0.00000 0.00000 0.00000 -0.00001 0.00000
|
|
142 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
143 5 H 1S 0.00001 0.00000 0.00000 0.00000 -0.00001
|
|
144 2S 0.00005 0.00001 0.00003 0.00000 -0.00003
|
|
145 3S 0.00000 0.00000 0.00000 0.00001 -0.00005
|
|
146 4S 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
147 5PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
148 5PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
149 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
150 6PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
151 6PY 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
152 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
153 7PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
154 7PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
155 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
156 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
157 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
158 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
159 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
160 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
161 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
162 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
163 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
164 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
165 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
166 6 H 1S 0.00001 0.00000 0.00000 0.00000 -0.00001
|
|
167 2S 0.00005 0.00001 0.00003 0.00000 -0.00003
|
|
168 3S 0.00000 0.00000 0.00000 0.00001 -0.00005
|
|
169 4S 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
170 5PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
171 5PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
172 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
173 6PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
174 6PY 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
175 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
176 7PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
177 7PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
178 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
179 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
180 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
181 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
182 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
183 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
184 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
185 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
186 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
187 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
188 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
91 92 93 94 95
|
|
91 16F+1 0.00001
|
|
92 16F-1 0.00000 0.00001
|
|
93 16F+2 0.00000 0.00000 0.00000
|
|
94 16F-2 0.00000 0.00000 0.00000 0.00000
|
|
95 16F+3 0.00000 0.00000 0.00000 0.00000 0.00001
|
|
96 16F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
97 3 H 1S 0.00010 -0.00001 0.00000 0.00000 0.00019
|
|
98 2S 0.00013 -0.00001 0.00000 0.00000 0.00022
|
|
99 3S 0.00001 0.00000 0.00000 0.00000 0.00002
|
|
100 4S 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
101 5PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
102 5PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
103 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
104 6PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
105 6PY 0.00000 0.00000 0.00000 0.00000 -0.00001
|
|
106 6PZ 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
107 7PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
108 7PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
109 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
110 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
111 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
112 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
113 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
114 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
115 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
116 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
117 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
118 9D+2 0.00000 0.00000 0.00000 0.00000 -0.00001
|
|
119 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
120 4 H 1S 0.00000 0.00000 0.00000 0.00000 0.00001
|
|
121 2S 0.00000 0.00001 0.00000 0.00000 0.00002
|
|
122 3S -0.00001 0.00001 0.00000 0.00000 0.00002
|
|
123 4S 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
124 5PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
125 5PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
126 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
127 6PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
128 6PY 0.00000 0.00000 0.00000 0.00000 -0.00001
|
|
129 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
130 7PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
131 7PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
132 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
133 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
134 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
135 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
136 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
137 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
138 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
139 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
140 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
141 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
142 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
143 5 H 1S 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
144 2S 0.00000 0.00001 0.00001 0.00002 0.00001
|
|
145 3S 0.00000 0.00000 0.00000 0.00001 0.00001
|
|
146 4S 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
147 5PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
148 5PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
149 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
150 6PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
151 6PY 0.00000 0.00000 0.00000 0.00000 0.00001
|
|
152 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
153 7PX 0.00000 0.00000 0.00000 0.00000 -0.00001
|
|
154 7PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
155 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
156 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
157 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
158 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
159 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
160 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
161 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
162 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
163 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
164 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
165 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
166 6 H 1S 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
167 2S 0.00000 0.00001 0.00001 0.00002 0.00001
|
|
168 3S 0.00000 0.00000 0.00000 0.00001 0.00001
|
|
169 4S 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
170 5PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
171 5PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
172 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
173 6PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
174 6PY 0.00000 0.00000 0.00000 0.00000 0.00001
|
|
175 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
176 7PX 0.00000 0.00000 0.00000 0.00000 -0.00001
|
|
177 7PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
178 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
179 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
180 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
181 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
182 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
183 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
184 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
185 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
186 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
187 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
188 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
96 97 98 99 100
|
|
96 16F-3 0.00002
|
|
97 3 H 1S -0.00009 0.06605
|
|
98 2S -0.00011 0.07118 0.15493
|
|
99 3S 0.00000 0.01189 0.03890 0.01970
|
|
100 4S 0.00000 0.00039 0.00159 0.00161 0.00034
|
|
101 5PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
102 5PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
103 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
104 6PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
105 6PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
106 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
107 7PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
108 7PY -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
109 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
110 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
111 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
112 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
113 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
114 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
115 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
116 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
117 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
118 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
119 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
120 4 H 1S 0.00001 0.00000 0.00000 0.00011 0.00010
|
|
121 2S 0.00002 0.00000 0.00003 0.00050 0.00029
|
|
122 3S 0.00000 0.00011 0.00070 0.00107 0.00039
|
|
123 4S 0.00000 -0.00015 -0.00063 -0.00063 -0.00015
|
|
124 5PX 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
125 5PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
126 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
127 6PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
128 6PY 0.00000 0.00000 0.00000 -0.00005 -0.00001
|
|
129 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
130 7PX -0.00001 0.00004 0.00021 0.00008 0.00001
|
|
131 7PY 0.00000 0.00001 0.00004 -0.00006 -0.00001
|
|
132 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
133 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
134 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
135 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
136 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
137 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
138 9D 0 0.00000 0.00000 0.00000 -0.00001 0.00000
|
|
139 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
140 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
141 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
142 9D-2 -0.00001 0.00000 0.00002 -0.00001 0.00000
|
|
143 5 H 1S 0.00002 0.00000 -0.00001 0.00002 0.00007
|
|
144 2S 0.00004 -0.00001 -0.00014 -0.00027 0.00012
|
|
145 3S 0.00000 -0.00030 -0.00155 -0.00199 -0.00048
|
|
146 4S 0.00000 -0.00001 -0.00006 -0.00016 -0.00006
|
|
147 5PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
148 5PY 0.00000 0.00000 0.00000 -0.00001 0.00000
|
|
149 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
150 6PX 0.00000 0.00000 -0.00001 -0.00002 0.00000
|
|
151 6PY 0.00000 0.00000 -0.00002 -0.00019 -0.00002
|
|
152 6PZ 0.00000 0.00000 -0.00001 -0.00002 0.00000
|
|
153 7PX 0.00000 0.00005 0.00019 0.00019 0.00002
|
|
154 7PY 0.00000 -0.00001 -0.00003 -0.00011 -0.00003
|
|
155 7PZ 0.00000 -0.00003 -0.00013 -0.00019 -0.00003
|
|
156 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
157 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
158 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
159 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
160 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
161 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
162 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
163 9D-1 0.00000 0.00000 0.00001 -0.00001 0.00000
|
|
164 9D+2 0.00000 0.00000 0.00001 -0.00002 0.00000
|
|
165 9D-2 0.00000 0.00000 0.00001 0.00001 0.00000
|
|
166 6 H 1S 0.00002 0.00000 -0.00001 0.00002 0.00007
|
|
167 2S 0.00004 -0.00001 -0.00014 -0.00027 0.00012
|
|
168 3S 0.00000 -0.00030 -0.00155 -0.00199 -0.00048
|
|
169 4S 0.00000 -0.00001 -0.00006 -0.00016 -0.00006
|
|
170 5PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
171 5PY 0.00000 0.00000 0.00000 -0.00001 0.00000
|
|
172 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
173 6PX 0.00000 0.00000 -0.00001 -0.00002 0.00000
|
|
174 6PY 0.00000 0.00000 -0.00002 -0.00019 -0.00002
|
|
175 6PZ 0.00000 0.00000 -0.00001 -0.00002 0.00000
|
|
176 7PX 0.00000 0.00005 0.00019 0.00019 0.00002
|
|
177 7PY 0.00000 -0.00001 -0.00003 -0.00011 -0.00003
|
|
178 7PZ 0.00000 -0.00003 -0.00013 -0.00019 -0.00003
|
|
179 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
180 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
181 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
182 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
183 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
184 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
185 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
186 9D-1 0.00000 0.00000 0.00001 -0.00001 0.00000
|
|
187 9D+2 0.00000 0.00000 0.00001 -0.00002 0.00000
|
|
188 9D-2 0.00000 0.00000 0.00001 0.00001 0.00000
|
|
101 102 103 104 105
|
|
101 5PX 0.00044
|
|
102 5PY 0.00000 0.00004
|
|
103 5PZ 0.00000 0.00000 0.00007
|
|
104 6PX 0.00021 0.00000 0.00000 0.00040
|
|
105 6PY 0.00000 0.00005 0.00000 0.00000 0.00025
|
|
106 6PZ 0.00000 0.00000 0.00014 0.00000 0.00000
|
|
107 7PX -0.00007 0.00000 0.00000 -0.00020 0.00000
|
|
108 7PY 0.00000 -0.00001 0.00000 0.00000 -0.00010
|
|
109 7PZ 0.00000 0.00000 0.00002 0.00000 0.00000
|
|
110 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
111 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
112 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
113 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
114 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
115 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
116 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
117 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
118 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
119 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
120 4 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
121 2S 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
122 3S 0.00001 0.00000 0.00000 0.00001 -0.00001
|
|
123 4S 0.00000 0.00000 0.00000 0.00000 0.00001
|
|
124 5PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
125 5PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
126 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
127 6PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
128 6PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
129 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
130 7PX 0.00000 0.00000 0.00000 0.00001 0.00001
|
|
131 7PY 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
132 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
133 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
134 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
135 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
136 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
137 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
138 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
139 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
140 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
141 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
142 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
143 5 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
144 2S 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
145 3S 0.00000 0.00000 -0.00001 0.00000 0.00003
|
|
146 4S 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
147 5PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
148 5PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
149 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
150 6PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
151 6PY 0.00000 0.00000 0.00000 0.00000 0.00002
|
|
152 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
153 7PX 0.00000 0.00000 0.00000 0.00000 -0.00002
|
|
154 7PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
155 7PZ 0.00000 0.00000 0.00000 0.00000 0.00001
|
|
156 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
157 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
158 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
159 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
160 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
161 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
162 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
163 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
164 9D+2 0.00000 0.00000 0.00000 0.00000 0.00001
|
|
165 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
166 6 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
167 2S 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
168 3S 0.00000 0.00000 -0.00001 0.00000 0.00003
|
|
169 4S 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
170 5PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
171 5PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
172 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
173 6PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
174 6PY 0.00000 0.00000 0.00000 0.00000 0.00002
|
|
175 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
176 7PX 0.00000 0.00000 0.00000 0.00000 -0.00002
|
|
177 7PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
178 7PZ 0.00000 0.00000 0.00000 0.00000 0.00001
|
|
179 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
180 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
181 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
182 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
183 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
184 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
185 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
186 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
187 9D+2 0.00000 0.00000 0.00000 0.00000 0.00001
|
|
188 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
106 107 108 109 110
|
|
106 6PZ 0.00076
|
|
107 7PX 0.00000 0.00052
|
|
108 7PY 0.00000 0.00000 0.00032
|
|
109 7PZ 0.00026 0.00000 0.00000 0.00025
|
|
110 8D 0 0.00000 0.00000 0.00000 0.00000 0.00001
|
|
111 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
112 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
113 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
114 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
115 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
116 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
117 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
118 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
119 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
120 4 H 1S 0.00000 0.00000 -0.00004 0.00000 0.00000
|
|
121 2S 0.00000 -0.00002 -0.00021 0.00000 0.00000
|
|
122 3S 0.00000 -0.00010 0.00027 0.00000 0.00000
|
|
123 4S 0.00000 0.00002 0.00001 0.00000 0.00000
|
|
124 5PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
125 5PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
126 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
127 6PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
128 6PY 0.00000 -0.00002 -0.00002 0.00000 0.00000
|
|
129 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
130 7PX 0.00000 -0.00002 0.00013 0.00000 0.00000
|
|
131 7PY 0.00000 -0.00001 0.00001 0.00000 0.00000
|
|
132 7PZ 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
133 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
134 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
135 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
136 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
137 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
138 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
139 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
140 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
141 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
142 9D-2 0.00000 -0.00001 0.00000 0.00000 0.00000
|
|
143 5 H 1S 0.00000 0.00003 0.00019 -0.00003 0.00000
|
|
144 2S -0.00002 0.00008 0.00056 -0.00013 0.00000
|
|
145 3S -0.00015 0.00003 -0.00036 -0.00029 0.00000
|
|
146 4S 0.00000 0.00000 -0.00003 -0.00001 0.00000
|
|
147 5PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
148 5PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
149 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
150 6PX 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
151 6PY 0.00000 -0.00003 -0.00006 0.00000 0.00000
|
|
152 6PZ 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
153 7PX 0.00001 -0.00001 0.00007 0.00001 0.00000
|
|
154 7PY -0.00001 -0.00001 -0.00006 -0.00001 0.00000
|
|
155 7PZ 0.00002 -0.00001 -0.00007 0.00004 0.00000
|
|
156 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
157 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
158 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
159 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
160 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
161 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
162 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
163 9D-1 0.00000 0.00000 -0.00001 0.00000 0.00000
|
|
164 9D+2 0.00000 -0.00001 0.00000 0.00000 0.00000
|
|
165 9D-2 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
166 6 H 1S 0.00000 0.00003 0.00019 -0.00003 0.00000
|
|
167 2S -0.00002 0.00008 0.00056 -0.00013 0.00000
|
|
168 3S -0.00015 0.00003 -0.00036 -0.00029 0.00000
|
|
169 4S 0.00000 0.00000 -0.00003 -0.00001 0.00000
|
|
170 5PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
171 5PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
172 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
173 6PX 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
174 6PY 0.00000 -0.00003 -0.00006 0.00000 0.00000
|
|
175 6PZ 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
176 7PX 0.00001 -0.00001 0.00007 0.00001 0.00000
|
|
177 7PY -0.00001 -0.00001 -0.00006 -0.00001 0.00000
|
|
178 7PZ 0.00002 -0.00001 -0.00007 0.00004 0.00000
|
|
179 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
180 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
181 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
182 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
183 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
184 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
185 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
186 9D-1 0.00000 0.00000 -0.00001 0.00000 0.00000
|
|
187 9D+2 0.00000 -0.00001 0.00000 0.00000 0.00000
|
|
188 9D-2 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
111 112 113 114 115
|
|
111 8D+1 0.00001
|
|
112 8D-1 0.00000 0.00000
|
|
113 8D+2 0.00000 0.00000 0.00002
|
|
114 8D-2 0.00000 0.00000 0.00000 0.00001
|
|
115 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
116 9D+1 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
117 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
118 9D+2 0.00000 0.00000 -0.00001 0.00000 0.00000
|
|
119 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
120 4 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
121 2S 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
122 3S 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
123 4S 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
124 5PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
125 5PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
126 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
127 6PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
128 6PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
129 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
130 7PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
131 7PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
132 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
133 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
134 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
135 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
136 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
137 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
138 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
139 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
140 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
141 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
142 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
143 5 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
144 2S 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
145 3S 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
146 4S 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
147 5PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
148 5PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
149 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
150 6PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
151 6PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
152 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
153 7PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
154 7PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
155 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
156 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
157 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
158 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
159 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
160 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
161 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
162 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
163 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
164 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
165 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
166 6 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
167 2S 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
168 3S 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
169 4S 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
170 5PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
171 5PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
172 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
173 6PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
174 6PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
175 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
176 7PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
177 7PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
178 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
179 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
180 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
181 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
182 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
183 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
184 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
185 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
186 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
187 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
188 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
116 117 118 119 120
|
|
116 9D+1 0.00002
|
|
117 9D-1 0.00000 0.00000
|
|
118 9D+2 0.00000 0.00000 0.00007
|
|
119 9D-2 0.00000 0.00000 0.00000 0.00002
|
|
120 4 H 1S 0.00000 0.00000 0.00000 0.00000 0.07494
|
|
121 2S 0.00000 0.00000 0.00000 -0.00001 0.06561
|
|
122 3S 0.00000 0.00000 0.00000 0.00000 -0.00556
|
|
123 4S 0.00000 0.00000 0.00000 0.00000 -0.00050
|
|
124 5PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
125 5PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
126 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
127 6PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
128 6PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
129 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
130 7PX 0.00000 0.00000 0.00001 0.00001 0.00000
|
|
131 7PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
132 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
133 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
134 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
135 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
136 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
137 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
138 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
139 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
140 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
141 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
142 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
143 5 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00001
|
|
144 2S -0.00001 0.00000 0.00001 0.00002 -0.00058
|
|
145 3S -0.00002 0.00000 -0.00005 0.00001 0.00049
|
|
146 4S 0.00000 0.00000 0.00000 0.00000 0.00006
|
|
147 5PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
148 5PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
149 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
150 6PX 0.00000 0.00000 0.00000 0.00000 0.00030
|
|
151 6PY 0.00000 0.00000 0.00000 0.00000 -0.00001
|
|
152 6PZ 0.00000 0.00000 0.00000 0.00000 -0.00007
|
|
153 7PX 0.00000 0.00000 0.00001 0.00000 0.00039
|
|
154 7PY 0.00000 0.00000 0.00000 0.00000 0.00002
|
|
155 7PZ 0.00000 0.00000 -0.00001 0.00000 0.00006
|
|
156 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
157 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
158 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
159 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
160 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
161 9D 0 0.00000 0.00000 0.00000 0.00000 0.00002
|
|
162 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
163 9D-1 0.00000 0.00000 0.00000 0.00000 -0.00001
|
|
164 9D+2 0.00000 0.00000 0.00000 0.00000 0.00008
|
|
165 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
166 6 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00001
|
|
167 2S -0.00001 0.00000 0.00001 0.00002 -0.00058
|
|
168 3S -0.00002 0.00000 -0.00005 0.00001 0.00049
|
|
169 4S 0.00000 0.00000 0.00000 0.00000 0.00006
|
|
170 5PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
171 5PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
172 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
173 6PX 0.00000 0.00000 0.00000 0.00000 0.00030
|
|
174 6PY 0.00000 0.00000 0.00000 0.00000 -0.00001
|
|
175 6PZ 0.00000 0.00000 0.00000 0.00000 -0.00007
|
|
176 7PX 0.00000 0.00000 0.00001 0.00000 0.00039
|
|
177 7PY 0.00000 0.00000 0.00000 0.00000 0.00002
|
|
178 7PZ 0.00000 0.00000 -0.00001 0.00000 0.00006
|
|
179 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
180 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
181 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
182 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
183 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
184 9D 0 0.00000 0.00000 0.00000 0.00000 0.00002
|
|
185 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
186 9D-1 0.00000 0.00000 0.00000 0.00000 -0.00001
|
|
187 9D+2 0.00000 0.00000 0.00000 0.00000 0.00008
|
|
188 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
121 122 123 124 125
|
|
121 2S 0.11593
|
|
122 3S -0.01586 0.01290
|
|
123 4S -0.00159 0.00008 0.00034
|
|
124 5PX 0.00000 0.00000 0.00000 0.00053
|
|
125 5PY 0.00000 0.00000 0.00000 0.00000 0.00009
|
|
126 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
127 6PX 0.00000 0.00000 0.00000 0.00004 0.00000
|
|
128 6PY 0.00000 0.00000 0.00000 0.00000 0.00007
|
|
129 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
130 7PX 0.00000 0.00000 0.00000 -0.00016 0.00000
|
|
131 7PY 0.00000 0.00000 0.00000 0.00000 -0.00002
|
|
132 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
133 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
134 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
135 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
136 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
137 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
138 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
139 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
140 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
141 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
142 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
143 5 H 1S -0.00045 0.00162 0.00009 0.00000 0.00000
|
|
144 2S -0.00340 0.00484 0.00047 -0.00003 0.00000
|
|
145 3S 0.00205 -0.00433 0.00021 0.00002 0.00000
|
|
146 4S 0.00024 -0.00042 -0.00002 0.00000 0.00000
|
|
147 5PX 0.00007 0.00001 0.00000 0.00000 0.00000
|
|
148 5PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
149 5PZ -0.00003 0.00004 0.00000 0.00000 0.00000
|
|
150 6PX 0.00111 -0.00026 -0.00001 0.00003 0.00000
|
|
151 6PY -0.00002 -0.00002 0.00000 0.00000 0.00000
|
|
152 6PZ -0.00026 0.00009 0.00000 -0.00001 0.00000
|
|
153 7PX 0.00124 -0.00122 0.00001 0.00000 0.00000
|
|
154 7PY 0.00006 -0.00004 0.00000 0.00000 0.00001
|
|
155 7PZ 0.00030 -0.00066 0.00000 0.00000 0.00000
|
|
156 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
157 8D+1 0.00002 0.00000 0.00000 0.00000 0.00000
|
|
158 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
159 8D+2 0.00002 0.00000 0.00000 0.00000 0.00000
|
|
160 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
161 9D 0 0.00004 0.00000 0.00000 0.00000 0.00000
|
|
162 9D+1 0.00002 -0.00004 0.00000 0.00000 0.00000
|
|
163 9D-1 -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
164 9D+2 0.00013 0.00001 0.00000 0.00000 0.00000
|
|
165 9D-2 0.00001 -0.00001 0.00000 0.00000 0.00000
|
|
166 6 H 1S -0.00045 0.00162 0.00009 0.00000 0.00000
|
|
167 2S -0.00340 0.00484 0.00047 -0.00003 0.00000
|
|
168 3S 0.00205 -0.00433 0.00021 0.00002 0.00000
|
|
169 4S 0.00024 -0.00042 -0.00002 0.00000 0.00000
|
|
170 5PX 0.00007 0.00001 0.00000 0.00000 0.00000
|
|
171 5PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
172 5PZ -0.00003 0.00004 0.00000 0.00000 0.00000
|
|
173 6PX 0.00111 -0.00026 -0.00001 0.00003 0.00000
|
|
174 6PY -0.00002 -0.00002 0.00000 0.00000 0.00000
|
|
175 6PZ -0.00026 0.00009 0.00000 -0.00001 0.00000
|
|
176 7PX 0.00124 -0.00122 0.00001 0.00000 0.00000
|
|
177 7PY 0.00006 -0.00004 0.00000 0.00000 0.00001
|
|
178 7PZ 0.00030 -0.00066 0.00000 0.00000 0.00000
|
|
179 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
180 8D+1 0.00002 0.00000 0.00000 0.00000 0.00000
|
|
181 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
182 8D+2 0.00002 0.00000 0.00000 0.00000 0.00000
|
|
183 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
184 9D 0 0.00004 0.00000 0.00000 0.00000 0.00000
|
|
185 9D+1 0.00002 -0.00004 0.00000 0.00000 0.00000
|
|
186 9D-1 -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
187 9D+2 0.00013 0.00001 0.00000 0.00000 0.00000
|
|
188 9D-2 0.00001 -0.00001 0.00000 0.00000 0.00000
|
|
126 127 128 129 130
|
|
126 5PZ 0.00005
|
|
127 6PX 0.00000 0.00004
|
|
128 6PY 0.00000 0.00000 0.00065
|
|
129 6PZ 0.00007 0.00000 0.00000 0.00030
|
|
130 7PX 0.00000 -0.00003 0.00000 0.00000 0.00218
|
|
131 7PY 0.00000 0.00000 0.00004 0.00000 0.00000
|
|
132 7PZ 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
133 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
134 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
135 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
136 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
137 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
138 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
139 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
140 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
141 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
142 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
143 5 H 1S 0.00000 0.00006 0.00001 0.00015 0.00078
|
|
144 2S 0.00005 0.00023 0.00002 0.00060 0.00228
|
|
145 3S -0.00001 0.00000 -0.00002 -0.00007 -0.00107
|
|
146 4S 0.00000 0.00000 0.00000 -0.00001 -0.00005
|
|
147 5PX 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
148 5PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
149 5PZ 0.00000 0.00000 0.00000 0.00000 0.00002
|
|
150 6PX 0.00000 0.00000 0.00000 0.00003 -0.00006
|
|
151 6PY 0.00000 0.00000 0.00008 0.00000 0.00000
|
|
152 6PZ 0.00000 0.00001 0.00000 0.00000 0.00006
|
|
153 7PX -0.00001 0.00000 -0.00001 -0.00005 0.00006
|
|
154 7PY 0.00000 0.00000 0.00004 0.00000 -0.00001
|
|
155 7PZ 0.00000 -0.00001 0.00000 0.00006 -0.00014
|
|
156 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
157 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
158 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
159 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
160 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
161 9D 0 0.00000 0.00000 0.00000 0.00001 0.00001
|
|
162 9D+1 0.00000 -0.00001 0.00000 0.00000 0.00000
|
|
163 9D-1 0.00000 0.00000 0.00002 0.00000 0.00000
|
|
164 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
165 9D-2 0.00000 0.00000 0.00002 0.00000 0.00000
|
|
166 6 H 1S 0.00000 0.00006 0.00001 0.00015 0.00078
|
|
167 2S 0.00005 0.00023 0.00002 0.00060 0.00228
|
|
168 3S -0.00001 0.00000 -0.00002 -0.00007 -0.00107
|
|
169 4S 0.00000 0.00000 0.00000 -0.00001 -0.00005
|
|
170 5PX 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
171 5PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
172 5PZ 0.00000 0.00000 0.00000 0.00000 0.00002
|
|
173 6PX 0.00000 0.00000 0.00000 0.00003 -0.00006
|
|
174 6PY 0.00000 0.00000 0.00008 0.00000 0.00000
|
|
175 6PZ 0.00000 0.00001 0.00000 0.00000 0.00006
|
|
176 7PX -0.00001 0.00000 -0.00001 -0.00005 0.00006
|
|
177 7PY 0.00000 0.00000 0.00004 0.00000 -0.00001
|
|
178 7PZ 0.00000 -0.00001 0.00000 0.00006 -0.00014
|
|
179 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
180 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
181 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
182 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
183 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
184 9D 0 0.00000 0.00000 0.00000 0.00001 0.00001
|
|
185 9D+1 0.00000 -0.00001 0.00000 0.00000 0.00000
|
|
186 9D-1 0.00000 0.00000 0.00002 0.00000 0.00000
|
|
187 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
188 9D-2 0.00000 0.00000 0.00002 0.00000 0.00000
|
|
131 132 133 134 135
|
|
131 7PY 0.00019
|
|
132 7PZ 0.00000 0.00004
|
|
133 8D 0 0.00000 0.00000 0.00001
|
|
134 8D+1 0.00000 0.00000 0.00000 0.00001
|
|
135 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
136 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
137 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
138 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
139 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
140 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
141 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
142 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
143 5 H 1S 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
144 2S -0.00002 -0.00003 0.00000 0.00004 0.00000
|
|
145 3S 0.00000 -0.00026 0.00000 0.00000 0.00000
|
|
146 4S 0.00000 -0.00001 0.00000 0.00000 0.00000
|
|
147 5PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
148 5PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
149 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
150 6PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
151 6PY 0.00002 0.00000 0.00000 0.00000 0.00000
|
|
152 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
153 7PX 0.00000 -0.00002 0.00000 0.00000 0.00000
|
|
154 7PY -0.00003 0.00000 0.00000 0.00000 0.00000
|
|
155 7PZ 0.00000 0.00005 0.00000 0.00000 0.00000
|
|
156 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
157 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
158 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
159 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
160 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
161 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
162 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
163 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
164 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
165 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
166 6 H 1S 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
167 2S -0.00002 -0.00003 0.00000 0.00004 0.00000
|
|
168 3S 0.00000 -0.00026 0.00000 0.00000 0.00000
|
|
169 4S 0.00000 -0.00001 0.00000 0.00000 0.00000
|
|
170 5PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
171 5PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
172 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
173 6PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
174 6PY 0.00002 0.00000 0.00000 0.00000 0.00000
|
|
175 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
176 7PX 0.00000 -0.00002 0.00000 0.00000 0.00000
|
|
177 7PY -0.00003 0.00000 0.00000 0.00000 0.00000
|
|
178 7PZ 0.00000 0.00005 0.00000 0.00000 0.00000
|
|
179 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
180 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
181 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
182 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
183 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
184 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
185 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
186 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
187 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
188 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
136 137 138 139 140
|
|
136 8D+2 0.00002
|
|
137 8D-2 0.00000 0.00002
|
|
138 9D 0 0.00000 0.00000 0.00002
|
|
139 9D+1 0.00000 0.00000 0.00000 0.00000
|
|
140 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
141 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
142 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
143 5 H 1S 0.00000 0.00000 -0.00001 0.00009 0.00000
|
|
144 2S 0.00000 0.00000 -0.00002 0.00017 0.00000
|
|
145 3S 0.00000 0.00000 0.00000 -0.00002 0.00000
|
|
146 4S 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
147 5PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
148 5PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
149 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
150 6PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
151 6PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
152 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
153 7PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
154 7PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
155 7PZ 0.00000 0.00000 0.00001 0.00001 0.00000
|
|
156 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
157 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
158 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
159 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
160 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
161 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
162 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
163 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
164 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
165 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
166 6 H 1S 0.00000 0.00000 -0.00001 0.00009 0.00000
|
|
167 2S 0.00000 0.00000 -0.00002 0.00017 0.00000
|
|
168 3S 0.00000 0.00000 0.00000 -0.00002 0.00000
|
|
169 4S 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
170 5PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
171 5PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
172 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
173 6PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
174 6PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
175 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
176 7PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
177 7PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
178 7PZ 0.00000 0.00000 0.00001 0.00001 0.00000
|
|
179 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
180 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
181 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
182 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
183 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
184 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
185 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
186 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
187 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
188 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
141 142 143 144 145
|
|
141 9D+2 0.00005
|
|
142 9D-2 0.00000 0.00004
|
|
143 5 H 1S -0.00002 0.00001 0.07535
|
|
144 2S -0.00007 0.00001 0.06793 0.12479
|
|
145 3S -0.00004 0.00000 -0.00348 -0.00656 0.02541
|
|
146 4S 0.00000 0.00000 -0.00037 -0.00115 0.00135
|
|
147 5PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
148 5PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
149 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
150 6PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
151 6PY 0.00000 0.00003 0.00000 0.00000 0.00000
|
|
152 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
153 7PX 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
154 7PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
155 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
156 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
157 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
158 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
159 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
160 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
161 9D 0 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
162 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
163 9D-1 0.00000 0.00001 0.00000 0.00000 0.00000
|
|
164 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
165 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
166 6 H 1S -0.00002 0.00001 -0.00001 -0.00056 -0.00047
|
|
167 2S -0.00007 0.00001 -0.00056 -0.00361 -0.00144
|
|
168 3S -0.00004 0.00000 -0.00047 -0.00144 -0.00767
|
|
169 4S 0.00000 0.00000 0.00007 0.00028 -0.00048
|
|
170 5PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
171 5PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
172 5PZ 0.00000 0.00000 0.00000 0.00002 -0.00002
|
|
173 6PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
174 6PY 0.00000 0.00003 0.00000 0.00000 0.00000
|
|
175 6PZ 0.00000 0.00000 0.00023 0.00095 -0.00010
|
|
176 7PX 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
177 7PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
178 7PZ 0.00000 0.00000 0.00019 0.00079 -0.00117
|
|
179 8D 0 0.00000 0.00000 0.00001 0.00004 -0.00001
|
|
180 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
181 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
182 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
183 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
184 9D 0 0.00001 0.00000 0.00011 0.00021 -0.00004
|
|
185 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
186 9D-1 0.00000 0.00001 0.00000 0.00000 0.00000
|
|
187 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
188 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
146 147 148 149 150
|
|
146 4S 0.00021
|
|
147 5PX 0.00000 0.00015
|
|
148 5PY 0.00000 0.00000 0.00012
|
|
149 5PZ 0.00000 0.00000 0.00000 0.00041
|
|
150 6PX 0.00000 0.00008 0.00000 0.00000 0.00032
|
|
151 6PY 0.00000 0.00000 0.00009 0.00000 0.00000
|
|
152 6PZ 0.00000 0.00000 0.00000 0.00006 0.00000
|
|
153 7PX 0.00000 -0.00004 0.00000 0.00000 0.00005
|
|
154 7PY 0.00000 0.00000 -0.00003 0.00000 0.00000
|
|
155 7PZ 0.00000 0.00000 0.00000 -0.00011 0.00000
|
|
156 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
157 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
158 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
159 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
160 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
161 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
162 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
163 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
164 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
165 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
166 6 H 1S 0.00007 0.00000 0.00000 0.00000 0.00000
|
|
167 2S 0.00028 0.00000 0.00000 0.00002 0.00000
|
|
168 3S -0.00048 0.00000 0.00000 -0.00002 0.00000
|
|
169 4S -0.00007 0.00000 0.00000 0.00000 0.00000
|
|
170 5PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
171 5PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
172 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
173 6PX 0.00000 0.00000 0.00000 0.00000 0.00002
|
|
174 6PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
175 6PZ -0.00001 0.00000 0.00000 0.00002 0.00000
|
|
176 7PX 0.00000 0.00000 0.00000 0.00000 0.00007
|
|
177 7PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
178 7PZ -0.00005 0.00000 0.00000 -0.00001 0.00000
|
|
179 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
180 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
181 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
182 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
183 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
184 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
185 9D+1 0.00000 0.00000 0.00000 0.00000 0.00001
|
|
186 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
187 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
188 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
151 152 153 154 155
|
|
151 6PY 0.00086
|
|
152 6PZ 0.00000 0.00016
|
|
153 7PX 0.00000 0.00000 0.00086
|
|
154 7PY 0.00006 0.00000 0.00000 0.00039
|
|
155 7PZ 0.00000 -0.00002 0.00000 0.00000 0.00158
|
|
156 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
157 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
158 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
159 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
160 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
161 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
162 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
163 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
164 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
165 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
166 6 H 1S 0.00000 0.00023 0.00000 0.00000 0.00019
|
|
167 2S 0.00000 0.00095 0.00000 0.00000 0.00079
|
|
168 3S 0.00000 -0.00010 0.00000 0.00000 -0.00117
|
|
169 4S 0.00000 -0.00001 0.00000 0.00000 -0.00005
|
|
170 5PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
171 5PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
172 5PZ 0.00000 0.00002 0.00000 0.00000 -0.00001
|
|
173 6PX 0.00000 0.00000 0.00007 0.00000 0.00000
|
|
174 6PY 0.00009 0.00000 0.00000 0.00004 0.00000
|
|
175 6PZ 0.00000 0.00004 0.00000 0.00000 -0.00006
|
|
176 7PX 0.00000 0.00000 0.00015 0.00000 0.00000
|
|
177 7PY 0.00004 0.00000 0.00000 0.00004 0.00000
|
|
178 7PZ 0.00000 -0.00006 0.00000 0.00000 -0.00004
|
|
179 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
180 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
181 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
182 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
183 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
184 9D 0 0.00000 -0.00001 0.00000 0.00000 0.00000
|
|
185 9D+1 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
186 9D-1 0.00004 0.00000 0.00000 0.00001 0.00000
|
|
187 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
188 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
156 157 158 159 160
|
|
156 8D 0 0.00002
|
|
157 8D+1 0.00000 0.00001
|
|
158 8D-1 0.00000 0.00000 0.00001
|
|
159 8D+2 0.00000 0.00000 0.00000 0.00001
|
|
160 8D-2 0.00000 0.00000 0.00000 0.00000 0.00001
|
|
161 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
162 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
163 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
164 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
165 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
166 6 H 1S 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
167 2S 0.00004 0.00000 0.00000 0.00000 0.00000
|
|
168 3S -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
169 4S 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
170 5PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
171 5PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
172 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
173 6PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
174 6PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
175 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
176 7PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
177 7PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
178 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
179 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
180 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
181 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
182 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
183 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
184 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
185 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
186 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
187 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
188 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
161 162 163 164 165
|
|
161 9D 0 0.00002
|
|
162 9D+1 0.00000 0.00003
|
|
163 9D-1 0.00000 0.00000 0.00003
|
|
164 9D+2 0.00000 0.00000 0.00000 0.00002
|
|
165 9D-2 0.00000 0.00000 0.00000 0.00000 0.00002
|
|
166 6 H 1S 0.00011 0.00000 0.00000 0.00000 0.00000
|
|
167 2S 0.00021 0.00000 0.00000 0.00000 0.00000
|
|
168 3S -0.00004 0.00000 0.00000 0.00000 0.00000
|
|
169 4S 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
170 5PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
171 5PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
172 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
173 6PX 0.00000 0.00001 0.00000 0.00000 0.00000
|
|
174 6PY 0.00000 0.00000 0.00004 0.00000 0.00000
|
|
175 6PZ -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
176 7PX 0.00000 0.00001 0.00000 0.00000 0.00000
|
|
177 7PY 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
178 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
179 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
180 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
181 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
182 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
183 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
184 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
185 9D+1 0.00000 0.00001 0.00000 0.00000 0.00000
|
|
186 9D-1 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
187 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
188 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
166 167 168 169 170
|
|
166 6 H 1S 0.07535
|
|
167 2S 0.06793 0.12479
|
|
168 3S -0.00348 -0.00656 0.02541
|
|
169 4S -0.00037 -0.00115 0.00135 0.00021
|
|
170 5PX 0.00000 0.00000 0.00000 0.00000 0.00015
|
|
171 5PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
172 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
173 6PX 0.00000 0.00000 0.00000 0.00000 0.00008
|
|
174 6PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
175 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
176 7PX 0.00000 0.00000 0.00000 0.00000 -0.00004
|
|
177 7PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
178 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
179 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
180 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
181 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
182 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
183 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
184 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
185 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
186 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
187 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
188 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
171 172 173 174 175
|
|
171 5PY 0.00012
|
|
172 5PZ 0.00000 0.00041
|
|
173 6PX 0.00000 0.00000 0.00032
|
|
174 6PY 0.00009 0.00000 0.00000 0.00086
|
|
175 6PZ 0.00000 0.00006 0.00000 0.00000 0.00016
|
|
176 7PX 0.00000 0.00000 0.00005 0.00000 0.00000
|
|
177 7PY -0.00003 0.00000 0.00000 0.00006 0.00000
|
|
178 7PZ 0.00000 -0.00011 0.00000 0.00000 -0.00002
|
|
179 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
180 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
181 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
182 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
183 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
184 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
185 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
186 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
187 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
188 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
176 177 178 179 180
|
|
176 7PX 0.00086
|
|
177 7PY 0.00000 0.00039
|
|
178 7PZ 0.00000 0.00000 0.00158
|
|
179 8D 0 0.00000 0.00000 0.00000 0.00002
|
|
180 8D+1 0.00000 0.00000 0.00000 0.00000 0.00001
|
|
181 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
182 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
183 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
184 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
185 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
186 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
187 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
188 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
181 182 183 184 185
|
|
181 8D-1 0.00001
|
|
182 8D+2 0.00000 0.00001
|
|
183 8D-2 0.00000 0.00000 0.00001
|
|
184 9D 0 0.00000 0.00000 0.00000 0.00002
|
|
185 9D+1 0.00000 0.00000 0.00000 0.00000 0.00003
|
|
186 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
187 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
188 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
186 187 188
|
|
186 9D-1 0.00003
|
|
187 9D+2 0.00000 0.00002
|
|
188 9D-2 0.00000 0.00000 0.00002
|
|
Gross orbital populations:
|
|
Total Alpha Beta Spin
|
|
1 1 C 1S 1.96438 0.98219 0.98219 0.00000
|
|
2 2S 0.82524 0.41262 0.41262 0.00000
|
|
3 3S 0.15870 0.07935 0.07935 0.00000
|
|
4 4S 0.30114 0.15057 0.15057 0.00000
|
|
5 5S -0.00897 -0.00448 -0.00448 0.00000
|
|
6 6PX 0.28495 0.14247 0.14247 0.00000
|
|
7 6PY 0.22171 0.11085 0.11085 0.00000
|
|
8 6PZ 0.28666 0.14333 0.14333 0.00000
|
|
9 7PX 0.57342 0.28671 0.28671 0.00000
|
|
10 7PY 0.48688 0.24344 0.24344 0.00000
|
|
11 7PZ 0.57571 0.28785 0.28785 0.00000
|
|
12 8PX 0.37021 0.18510 0.18510 0.00000
|
|
13 8PY 0.22936 0.11468 0.11468 0.00000
|
|
14 8PZ 0.35045 0.17523 0.17523 0.00000
|
|
15 9PX 0.00557 0.00278 0.00278 0.00000
|
|
16 9PY 0.00909 0.00455 0.00455 0.00000
|
|
17 9PZ 0.00465 0.00233 0.00233 0.00000
|
|
18 10D 0 0.00403 0.00202 0.00202 0.00000
|
|
19 10D+1 0.00337 0.00168 0.00168 0.00000
|
|
20 10D-1 0.00370 0.00185 0.00185 0.00000
|
|
21 10D+2 0.00473 0.00236 0.00236 0.00000
|
|
22 10D-2 0.00190 0.00095 0.00095 0.00000
|
|
23 11D 0 0.02231 0.01116 0.01116 0.00000
|
|
24 11D+1 0.01507 0.00754 0.00754 0.00000
|
|
25 11D-1 0.02300 0.01150 0.01150 0.00000
|
|
26 11D+2 0.03153 0.01576 0.01576 0.00000
|
|
27 11D-2 0.01043 0.00522 0.00522 0.00000
|
|
28 12D 0 0.00703 0.00351 0.00351 0.00000
|
|
29 12D+1 0.00613 0.00306 0.00306 0.00000
|
|
30 12D-1 0.00009 0.00004 0.00004 0.00000
|
|
31 12D+2 0.00592 0.00296 0.00296 0.00000
|
|
32 12D-2 -0.00282 -0.00141 -0.00141 0.00000
|
|
33 13F 0 0.00023 0.00011 0.00011 0.00000
|
|
34 13F+1 0.00096 0.00048 0.00048 0.00000
|
|
35 13F-1 0.00075 0.00037 0.00037 0.00000
|
|
36 13F+2 0.00036 0.00018 0.00018 0.00000
|
|
37 13F-2 0.00023 0.00012 0.00012 0.00000
|
|
38 13F+3 0.00045 0.00023 0.00023 0.00000
|
|
39 13F-3 0.00093 0.00046 0.00046 0.00000
|
|
40 14F 0 0.00092 0.00046 0.00046 0.00000
|
|
41 14F+1 0.00149 0.00075 0.00075 0.00000
|
|
42 14F-1 -0.00004 -0.00002 -0.00002 0.00000
|
|
43 14F+2 0.00202 0.00101 0.00101 0.00000
|
|
44 14F-2 0.00068 0.00034 0.00034 0.00000
|
|
45 14F+3 0.00091 0.00046 0.00046 0.00000
|
|
46 14F-3 0.00045 0.00022 0.00022 0.00000
|
|
47 2 S 1S 1.99998 0.99999 0.99999 0.00000
|
|
48 2S 1.91650 0.95825 0.95825 0.00000
|
|
49 3S 1.07853 0.53927 0.53927 0.00000
|
|
50 4S 0.17787 0.08893 0.08893 0.00000
|
|
51 5S 0.64610 0.32305 0.32305 0.00000
|
|
52 6S -0.00716 -0.00358 -0.00358 0.00000
|
|
53 7PX 1.95059 0.97530 0.97530 0.00000
|
|
54 7PY 1.94972 0.97486 0.97486 0.00000
|
|
55 7PZ 1.95821 0.97910 0.97910 0.00000
|
|
56 8PX 0.70922 0.35461 0.35461 0.00000
|
|
57 8PY 0.66377 0.33188 0.33188 0.00000
|
|
58 8PZ 0.99832 0.49916 0.49916 0.00000
|
|
59 9PX 0.24556 0.12278 0.12278 0.00000
|
|
60 9PY 0.23551 0.11775 0.11775 0.00000
|
|
61 9PZ 0.33649 0.16824 0.16824 0.00000
|
|
62 10PX 0.32795 0.16397 0.16397 0.00000
|
|
63 10PY 0.24333 0.12167 0.12167 0.00000
|
|
64 10PZ 0.63402 0.31701 0.31701 0.00000
|
|
65 11PX 0.00017 0.00009 0.00009 0.00000
|
|
66 11PY 0.00567 0.00283 0.00283 0.00000
|
|
67 11PZ 0.02959 0.01479 0.01479 0.00000
|
|
68 12D 0 0.01325 0.00662 0.00662 0.00000
|
|
69 12D+1 0.00026 0.00013 0.00013 0.00000
|
|
70 12D-1 0.00827 0.00414 0.00414 0.00000
|
|
71 12D+2 0.05100 0.02550 0.02550 0.00000
|
|
72 12D-2 0.01132 0.00566 0.00566 0.00000
|
|
73 13D 0 0.00721 0.00360 0.00360 0.00000
|
|
74 13D+1 0.00017 0.00008 0.00008 0.00000
|
|
75 13D-1 0.00195 0.00098 0.00098 0.00000
|
|
76 13D+2 0.02628 0.01314 0.01314 0.00000
|
|
77 13D-2 0.00316 0.00158 0.00158 0.00000
|
|
78 14D 0 0.00291 0.00145 0.00145 0.00000
|
|
79 14D+1 -0.00005 -0.00002 -0.00002 0.00000
|
|
80 14D-1 -0.00410 -0.00205 -0.00205 0.00000
|
|
81 14D+2 0.00859 0.00429 0.00429 0.00000
|
|
82 14D-2 -0.00743 -0.00372 -0.00372 0.00000
|
|
83 15F 0 0.00065 0.00032 0.00032 0.00000
|
|
84 15F+1 0.00198 0.00099 0.00099 0.00000
|
|
85 15F-1 0.00170 0.00085 0.00085 0.00000
|
|
86 15F+2 0.00084 0.00042 0.00042 0.00000
|
|
87 15F-2 0.00004 0.00002 0.00002 0.00000
|
|
88 15F+3 0.00364 0.00182 0.00182 0.00000
|
|
89 15F-3 0.00193 0.00096 0.00096 0.00000
|
|
90 16F 0 -0.00003 -0.00001 -0.00001 0.00000
|
|
91 16F+1 0.00029 0.00014 0.00014 0.00000
|
|
92 16F-1 0.00032 0.00016 0.00016 0.00000
|
|
93 16F+2 0.00007 0.00004 0.00004 0.00000
|
|
94 16F-2 0.00010 0.00005 0.00005 0.00000
|
|
95 16F+3 0.00058 0.00029 0.00029 0.00000
|
|
96 16F-3 0.00055 0.00028 0.00028 0.00000
|
|
97 3 H 1S 0.23573 0.11787 0.11787 0.00000
|
|
98 2S 0.47758 0.23879 0.23879 0.00000
|
|
99 3S 0.08639 0.04319 0.04319 0.00000
|
|
100 4S 0.00191 0.00096 0.00096 0.00000
|
|
101 5PX 0.00567 0.00283 0.00283 0.00000
|
|
102 5PY 0.00072 0.00036 0.00036 0.00000
|
|
103 5PZ 0.00139 0.00070 0.00070 0.00000
|
|
104 6PX 0.01131 0.00565 0.00565 0.00000
|
|
105 6PY 0.00622 0.00311 0.00311 0.00000
|
|
106 6PZ 0.01452 0.00726 0.00726 0.00000
|
|
107 7PX -0.00067 -0.00033 -0.00033 0.00000
|
|
108 7PY -0.00303 -0.00151 -0.00151 0.00000
|
|
109 7PZ 0.01147 0.00573 0.00573 0.00000
|
|
110 8D 0 0.00021 0.00011 0.00011 0.00000
|
|
111 8D+1 0.00071 0.00035 0.00035 0.00000
|
|
112 8D-1 0.00002 0.00001 0.00001 0.00000
|
|
113 8D+2 0.00052 0.00026 0.00026 0.00000
|
|
114 8D-2 0.00053 0.00026 0.00026 0.00000
|
|
115 9D 0 -0.00003 -0.00002 -0.00002 0.00000
|
|
116 9D+1 0.00322 0.00161 0.00161 0.00000
|
|
117 9D-1 -0.00002 -0.00001 -0.00001 0.00000
|
|
118 9D+2 0.00121 0.00061 0.00061 0.00000
|
|
119 9D-2 0.00129 0.00064 0.00064 0.00000
|
|
120 4 H 1S 0.26613 0.13306 0.13306 0.00000
|
|
121 2S 0.42115 0.21058 0.21058 0.00000
|
|
122 3S -0.04409 -0.02204 -0.02204 0.00000
|
|
123 4S -0.00311 -0.00156 -0.00156 0.00000
|
|
124 5PX 0.00657 0.00328 0.00328 0.00000
|
|
125 5PY 0.00148 0.00074 0.00074 0.00000
|
|
126 5PZ 0.00103 0.00051 0.00051 0.00000
|
|
127 6PX 0.00320 0.00160 0.00160 0.00000
|
|
128 6PY 0.01090 0.00545 0.00545 0.00000
|
|
129 6PZ 0.00821 0.00411 0.00411 0.00000
|
|
130 7PX 0.01104 0.00552 0.00552 0.00000
|
|
131 7PY 0.00197 0.00099 0.00099 0.00000
|
|
132 7PZ 0.00172 0.00086 0.00086 0.00000
|
|
133 8D 0 0.00020 0.00010 0.00010 0.00000
|
|
134 8D+1 0.00064 0.00032 0.00032 0.00000
|
|
135 8D-1 0.00004 0.00002 0.00002 0.00000
|
|
136 8D+2 0.00069 0.00034 0.00034 0.00000
|
|
137 8D-2 0.00073 0.00037 0.00037 0.00000
|
|
138 9D 0 -0.00046 -0.00023 -0.00023 0.00000
|
|
139 9D+1 0.00167 0.00083 0.00083 0.00000
|
|
140 9D-1 0.00038 0.00019 0.00019 0.00000
|
|
141 9D+2 0.00009 0.00005 0.00005 0.00000
|
|
142 9D-2 0.00190 0.00095 0.00095 0.00000
|
|
143 5 H 1S 0.26730 0.13365 0.13365 0.00000
|
|
144 2S 0.43253 0.21627 0.21627 0.00000
|
|
145 3S -0.03893 -0.01946 -0.01946 0.00000
|
|
146 4S -0.00135 -0.00067 -0.00067 0.00000
|
|
147 5PX 0.00215 0.00108 0.00108 0.00000
|
|
148 5PY 0.00180 0.00090 0.00090 0.00000
|
|
149 5PZ 0.00513 0.00256 0.00256 0.00000
|
|
150 6PX 0.00801 0.00400 0.00400 0.00000
|
|
151 6PY 0.01275 0.00638 0.00638 0.00000
|
|
152 6PZ 0.00519 0.00260 0.00260 0.00000
|
|
153 7PX 0.00622 0.00311 0.00311 0.00000
|
|
154 7PY 0.00078 0.00039 0.00039 0.00000
|
|
155 7PZ 0.00581 0.00290 0.00290 0.00000
|
|
156 8D 0 0.00071 0.00035 0.00035 0.00000
|
|
157 8D+1 0.00051 0.00026 0.00026 0.00000
|
|
158 8D-1 0.00058 0.00029 0.00029 0.00000
|
|
159 8D+2 0.00035 0.00017 0.00017 0.00000
|
|
160 8D-2 0.00022 0.00011 0.00011 0.00000
|
|
161 9D 0 0.00132 0.00066 0.00066 0.00000
|
|
162 9D+1 -0.00018 -0.00009 -0.00009 0.00000
|
|
163 9D-1 0.00124 0.00062 0.00062 0.00000
|
|
164 9D+2 0.00189 0.00094 0.00094 0.00000
|
|
165 9D-2 0.00083 0.00042 0.00042 0.00000
|
|
166 6 H 1S 0.26730 0.13365 0.13365 0.00000
|
|
167 2S 0.43253 0.21627 0.21627 0.00000
|
|
168 3S -0.03893 -0.01946 -0.01946 0.00000
|
|
169 4S -0.00135 -0.00067 -0.00067 0.00000
|
|
170 5PX 0.00215 0.00108 0.00108 0.00000
|
|
171 5PY 0.00180 0.00090 0.00090 0.00000
|
|
172 5PZ 0.00513 0.00256 0.00256 0.00000
|
|
173 6PX 0.00801 0.00400 0.00400 0.00000
|
|
174 6PY 0.01275 0.00638 0.00638 0.00000
|
|
175 6PZ 0.00519 0.00260 0.00260 0.00000
|
|
176 7PX 0.00622 0.00311 0.00311 0.00000
|
|
177 7PY 0.00078 0.00039 0.00039 0.00000
|
|
178 7PZ 0.00581 0.00290 0.00290 0.00000
|
|
179 8D 0 0.00071 0.00035 0.00035 0.00000
|
|
180 8D+1 0.00051 0.00026 0.00026 0.00000
|
|
181 8D-1 0.00058 0.00029 0.00029 0.00000
|
|
182 8D+2 0.00035 0.00017 0.00017 0.00000
|
|
183 8D-2 0.00022 0.00011 0.00011 0.00000
|
|
184 9D 0 0.00132 0.00066 0.00066 0.00000
|
|
185 9D+1 -0.00018 -0.00009 -0.00009 0.00000
|
|
186 9D-1 0.00124 0.00062 0.00062 0.00000
|
|
187 9D+2 0.00189 0.00094 0.00094 0.00000
|
|
188 9D-2 0.00083 0.00042 0.00042 0.00000
|
|
Condensed to atoms (all electrons):
|
|
1 2 3 4 5 6
|
|
1 C 5.389633 0.243666 -0.022217 0.402138 0.386340 0.386340
|
|
2 S 0.243666 15.623883 0.391938 -0.015489 -0.004305 -0.004305
|
|
3 H -0.022217 0.391938 0.495943 0.002016 -0.005408 -0.005408
|
|
4 H 0.402138 -0.015489 0.002016 0.292722 0.005352 0.005352
|
|
5 H 0.386340 -0.004305 -0.005408 0.005352 0.346491 -0.013592
|
|
6 H 0.386340 -0.004305 -0.005408 0.005352 -0.013592 0.346491
|
|
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 -0.785901 0.000000
|
|
2 S -0.235387 0.000000
|
|
3 H 0.143136 0.000000
|
|
4 H 0.307909 0.000000
|
|
5 H 0.285121 0.000000
|
|
6 H 0.285121 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 0.092251 0.000000
|
|
2 S -0.092251 0.000000
|
|
Electronic spatial extent (au): <R**2>= 145.9709
|
|
Charge= 0.0000 electrons
|
|
Dipole moment (field-independent basis, Debye):
|
|
X= 0.7580 Y= 1.4985 Z= 0.0000 Tot= 1.6793
|
|
Quadrupole moment (field-independent basis, Debye-Ang):
|
|
XX= -19.3514 YY= -20.5760 ZZ= -22.8442
|
|
XY= -1.2900 XZ= 0.0000 YZ= 0.0000
|
|
Traceless Quadrupole moment (field-independent basis, Debye-Ang):
|
|
XX= 1.5725 YY= 0.3478 ZZ= -1.9203
|
|
XY= -1.2900 XZ= 0.0000 YZ= 0.0000
|
|
Octapole moment (field-independent basis, Debye-Ang**2):
|
|
XXX= 0.8809 YYY= 0.1094 ZZZ= 0.0000 XYY= 1.4151
|
|
XXY= 0.0151 XXZ= 0.0000 XZZ= 0.8900 YZZ= 2.9658
|
|
YYZ= 0.0000 XYZ= 0.0000
|
|
Hexadecapole moment (field-independent basis, Debye-Ang**3):
|
|
XXXX= -34.8599 YYYY= -136.8867 ZZZZ= -37.6133 XXXY= -0.8475
|
|
XXXZ= 0.0000 YYYX= 0.6314 YYYZ= 0.0000 ZZZX= 0.0000
|
|
ZZZY= 0.0000 XXYY= -27.8947 XXZZ= -12.9512 YYZZ= -29.5559
|
|
XXYZ= 0.0000 YYXZ= 0.0000 ZZXY= 1.6766
|
|
N-N= 5.604592445669D+01 E-N=-1.152188590162D+03 KE= 4.376213875310D+02
|
|
Symmetry A' KE= 3.970292148791D+02
|
|
Symmetry A" KE= 4.059217265186D+01
|
|
Orbital energies and kinetic energies (alpha):
|
|
1 2
|
|
1 O -91.954637 121.178237
|
|
2 O -11.260581 16.021622
|
|
3 O -8.955360 18.707902
|
|
4 O -6.636722 17.568089
|
|
5 O -6.635726 17.584345
|
|
6 O -6.634680 17.614508
|
|
7 O -1.034128 1.633277
|
|
8 O -0.866722 1.734174
|
|
9 O -0.606494 1.074949
|
|
10 O -0.591495 0.981651
|
|
11 O -0.526667 1.337528
|
|
12 O -0.458672 1.674484
|
|
13 O -0.357776 1.699927
|
|
14 V 0.029347 0.083775
|
|
15 V 0.040817 0.074845
|
|
16 V 0.046935 0.064076
|
|
17 V 0.051011 0.084674
|
|
18 V 0.085007 0.141978
|
|
19 V 0.097952 0.145590
|
|
20 V 0.115542 0.150166
|
|
21 V 0.116455 0.174610
|
|
22 V 0.133512 0.181956
|
|
23 V 0.135690 0.359744
|
|
24 V 0.139219 0.283213
|
|
25 V 0.174423 0.528102
|
|
26 V 0.197263 0.326510
|
|
27 V 0.210088 0.849508
|
|
28 V 0.218136 0.436908
|
|
29 V 0.243346 0.473866
|
|
30 V 0.261883 0.385892
|
|
31 V 0.268880 0.524159
|
|
32 V 0.286615 0.365415
|
|
33 V 0.287359 0.432652
|
|
34 V 0.321372 0.449246
|
|
35 V 0.332408 0.501743
|
|
36 V 0.333870 0.406053
|
|
37 V 0.343814 0.413409
|
|
38 V 0.369616 0.559805
|
|
39 V 0.377457 0.623037
|
|
40 V 0.390522 0.568599
|
|
41 V 0.390974 0.648280
|
|
42 V 0.406165 0.501437
|
|
43 V 0.406192 0.707365
|
|
44 V 0.417529 0.714806
|
|
45 V 0.429105 0.973055
|
|
46 V 0.438927 0.692061
|
|
47 V 0.439431 0.695523
|
|
48 V 0.452335 0.700539
|
|
49 V 0.462302 0.589047
|
|
50 V 0.480657 0.601206
|
|
51 V 0.496315 0.638492
|
|
52 V 0.498420 0.663730
|
|
53 V 0.635668 1.142701
|
|
54 V 0.636009 0.923926
|
|
55 V 0.660404 1.412059
|
|
56 V 0.676557 1.057491
|
|
57 V 0.693025 1.035178
|
|
58 V 0.710860 1.038933
|
|
59 V 0.730969 1.111113
|
|
60 V 0.767636 1.573486
|
|
61 V 0.798729 1.259673
|
|
62 V 0.815953 1.311764
|
|
63 V 0.836223 1.146283
|
|
64 V 0.842944 1.384833
|
|
65 V 0.857111 1.139831
|
|
66 V 0.867045 1.382857
|
|
67 V 0.870054 1.017436
|
|
68 V 0.892888 1.321437
|
|
69 V 0.913312 1.104195
|
|
70 V 0.934386 1.118543
|
|
71 V 0.943411 1.253867
|
|
72 V 0.958010 1.381967
|
|
73 V 0.977839 1.209417
|
|
74 V 0.980829 1.262685
|
|
75 V 0.993117 1.658242
|
|
76 V 1.014107 1.325224
|
|
77 V 1.021120 1.289558
|
|
78 V 1.029763 1.117933
|
|
79 V 1.072706 1.209964
|
|
80 V 1.078270 1.206918
|
|
81 V 1.086821 1.209551
|
|
82 V 1.095265 1.216639
|
|
83 V 1.108020 1.283024
|
|
84 V 1.120871 1.221589
|
|
85 V 1.167764 1.259995
|
|
86 V 1.171833 1.260313
|
|
87 V 1.197941 1.317354
|
|
88 V 1.213856 1.286232
|
|
89 V 1.251796 1.366284
|
|
90 V 1.266313 1.399073
|
|
91 V 1.295787 1.370456
|
|
92 V 1.312020 1.496909
|
|
93 V 1.339878 1.882593
|
|
94 V 1.348274 1.727127
|
|
95 V 1.386765 1.830562
|
|
96 V 1.391665 1.764200
|
|
97 V 1.472378 1.856338
|
|
98 V 1.572852 2.282018
|
|
99 V 1.583085 1.888812
|
|
100 V 1.616111 2.493156
|
|
101 V 1.632991 1.933650
|
|
102 V 1.637524 2.093751
|
|
103 V 1.653954 1.933948
|
|
104 V 1.669718 2.124953
|
|
105 V 1.682724 2.224489
|
|
106 V 1.693867 2.301824
|
|
107 V 1.701024 2.085911
|
|
108 V 1.741845 2.082336
|
|
109 V 1.759179 2.219053
|
|
110 V 1.798359 2.510475
|
|
111 V 1.884065 3.242185
|
|
112 V 1.928654 2.536908
|
|
113 V 1.934419 2.641192
|
|
114 V 1.987860 2.230605
|
|
115 V 2.013440 2.477870
|
|
116 V 2.066438 2.433551
|
|
117 V 2.128952 2.564276
|
|
118 V 2.152168 3.084155
|
|
119 V 2.178034 2.582980
|
|
120 V 2.182656 2.761285
|
|
121 V 2.210324 3.415531
|
|
122 V 2.286039 3.616553
|
|
123 V 2.347651 3.784344
|
|
124 V 2.386859 3.459597
|
|
125 V 2.450924 4.086243
|
|
126 V 2.493534 3.972811
|
|
127 V 2.538830 3.218430
|
|
128 V 2.570276 3.395018
|
|
129 V 2.633152 4.080867
|
|
130 V 2.652021 3.932351
|
|
131 V 2.693433 4.198537
|
|
132 V 2.745554 3.614028
|
|
133 V 2.802404 5.595932
|
|
134 V 3.006606 6.668961
|
|
135 V 3.062350 4.583015
|
|
136 V 3.069125 6.071160
|
|
137 V 3.346810 4.573469
|
|
138 V 3.349217 4.491931
|
|
139 V 3.508147 5.433613
|
|
140 V 3.521542 4.312559
|
|
141 V 3.575081 4.513152
|
|
142 V 3.585624 4.365401
|
|
143 V 3.589245 4.913946
|
|
144 V 3.607305 4.531655
|
|
145 V 3.640767 5.024448
|
|
146 V 3.765715 4.491491
|
|
147 V 3.786060 4.596875
|
|
148 V 3.916410 5.244493
|
|
149 V 3.928385 5.269092
|
|
150 V 3.991489 4.375985
|
|
151 V 4.002025 4.577593
|
|
152 V 4.067939 4.507693
|
|
153 V 4.094215 5.029163
|
|
154 V 4.100733 5.268092
|
|
155 V 4.115457 5.168951
|
|
156 V 4.154182 5.178769
|
|
157 V 4.187701 4.734641
|
|
158 V 4.235251 4.904704
|
|
159 V 4.356610 4.796622
|
|
160 V 4.437805 6.748925
|
|
161 V 4.457357 4.859195
|
|
162 V 4.471086 4.948087
|
|
163 V 4.498281 5.103248
|
|
164 V 4.532145 5.372524
|
|
165 V 4.537599 5.121226
|
|
166 V 4.650832 5.343582
|
|
167 V 4.737687 5.600485
|
|
168 V 4.750007 5.520725
|
|
169 V 4.789152 5.759423
|
|
170 V 4.888757 5.488942
|
|
171 V 4.901033 5.270434
|
|
172 V 4.951412 5.411241
|
|
173 V 4.988993 5.469924
|
|
174 V 5.124962 6.578033
|
|
175 V 5.162477 5.894240
|
|
176 V 5.224779 6.298959
|
|
177 V 5.300086 6.204157
|
|
178 V 5.528189 6.136034
|
|
179 V 5.547434 6.277483
|
|
180 V 5.562278 7.342374
|
|
181 V 5.601218 6.178734
|
|
182 V 5.946317 7.055144
|
|
183 V 6.047005 6.978975
|
|
184 V 6.060583 6.939528
|
|
185 V 6.607107 7.584785
|
|
186 V 6.650427 7.638640
|
|
187 V 7.606037 14.348872
|
|
188 V 16.861124 39.572753
|
|
Total kinetic energy from orbitals= 4.376213875310D+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 23:13:54 2019, MaxMem= 13421772800 cpu: 11.1
|
|
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l9999.exe)
|
|
1\1\GINC-COMPUTE-3-8\SP\ROCCSD(T)-FC\Aug-CC-pVTZ\C1H4S1\LOOS\04-Apr-20
|
|
19\0\\#p ROCCSD(T) aug-cc-pVTZ pop=full gfprint\\G2\\0,1\C\S,1,1.82939
|
|
003\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
|
|
,1.09069821,5,55.21415843,2,-90.,0\\Version=ES64L-G09RevD.01\State=1-A
|
|
'\HF=-437.7573378\MP2=-438.1280739\MP3=-438.1600992\PUHF=-437.7573378\
|
|
PMP2-0=-438.1280739\MP4SDQ=-438.1614729\CCSD=-438.161027\CCSD(T)=-438.
|
|
1776115\RMSD=3.233e-09\PG=CS [SG(C1H2S1),X(H2)]\\@
|
|
|
|
|
|
THERE IS NO CURE FOR BIRTH AND DEATH SAVE TO ENJOY THE INTERVAL.
|
|
|
|
-- GEORGE SANTAYANA
|
|
Job cpu time: 0 days 11 hours 21 minutes 43.4 seconds.
|
|
File lengths (MBytes): RWF= 1431 Int= 0 D2E= 0 Chk= 4 Scr= 1
|
|
Normal termination of Gaussian 09 at Thu Apr 4 23:13:54 2019.
|